gebpy 1.1.3__py3-none-any.whl

gebpy/core/chemistry/common.py

@@ -0,0 +1,1369 @@
+#!/usr/bin/env python
+# -*-coding: utf-8 -*-
+
+# -----------------------------------------------
+
+# Name:		chemistry.py
+# Author:	Maximilian A. Beeskow
+# Version:	1.0
+# Date:		15.12.2025
+
+# -----------------------------------------------
+
+# MODULES
+import numpy as np
+import re
+
+# CLASSES
+class PeriodicSystem():
+    """ Class that generates the chemical and physical data of the elements"""
+    #
+    def __init__(self, name=None, atomicnumber=None):
+        """
+        :param name: name of the chemical element
+        :param atomicnumber: atomic number of the chemical element
+        """
+        self.name = name
+        self.atomicnumber = atomicnumber
+    #
+    def get_data(self):
+        data = []
+        # [symbol, atomic number, atomic mass, density, bulk modulus, shear modulus, young's modulus, vP,
+        # vS, resistivity]
+        if self.name in ["H", "Hydrogen", "hydrogen"] or self.atomicnumber == 1:
+            mass_molar = 1.008
+            density = 0.0899
+            bulk_mod = round(1.4*10**(-4), 5)
+            shear_mod = 0.0
+            young_mod = (9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = np.sqrt((shear_mod*10**9)/(density))
+            resistivity = 0.0
+            thermal_cond = 0.1805
+            data = ["H", 1, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["He", "Helium", "helium"] or self.atomicnumber == 2:
+            mass_molar = 4.0026
+            density = 0.1785
+            bulk_mod = round(1.01*10**(-5), 7)
+            shear_mod = 0.0
+            young_mod = (9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = np.sqrt((shear_mod*10**9)/(density))
+            resistivity = 0.0
+            thermal_cond = 0.1513
+            data = ["He", 2, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Li", "Lithium", "lithium"] or self.atomicnumber == 3:
+            mass_molar = 6.938
+            density = 530
+            bulk_mod = 11
+            shear_mod = 4.2
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(9.4*10**(-8), 9)
+            thermal_cond = 85
+            data = ["Li", 3, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Be", "Beryllium", "beryllium"] or self.atomicnumber == 4:
+            mass_molar = 9.0122
+            density = 1850
+            bulk_mod = 130
+            shear_mod = 132
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(4.0*10**(-8), 9)
+            thermal_cond = 190
+            data = ["Be", 4, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["B", "Boron", "boron"] or self.atomicnumber == 5:
+            mass_molar = 10.806
+            density = 2460
+            bulk_mod = 320
+            v_p = 16200
+            shear_mod = round((3*(density*v_p**2 - bulk_mod*10**9))/(4)*10**(-9), 1)
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 10000
+            thermal_cond = 27
+            data = ["B", 5, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["C", "Carbon", "carbon"] or self.atomicnumber == 6:
+            mass_molar = 12.009
+            density = 3510
+            bulk_mod = 33
+            v_p = 18350
+            shear_mod = round((3*(density*v_p**2 - bulk_mod*10**9))/(4)*10**(-9), 1)
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 1*10**(-5)
+            thermal_cond = 140
+            data = ["C", 6, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["N", "Nitrogen", "nitrogen"] or self.atomicnumber == 7:
+            mass_molar = 14.007
+            density = 1.170
+            bulk_mod = 2
+            v_p = 333.6
+            shear_mod = 0.0
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.0
+            thermal_cond = 0.02583
+            data = ["N", 7, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["O", "Oxygen", "oxygen"] or self.atomicnumber == 8:
+            mass_molar = 15.999
+            density = 1.33
+            v_p = 317.5
+            shear_mod = 0.0
+            bulk_mod = round(v_p**2*density*10**3*10**(-9), 3)
+            shear_mod = 0.0
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.0
+            thermal_cond = 0.02658
+            data = ["O", 8, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["F", "Flourine", "flourine"] or self.atomicnumber == 9:
+            mass_molar = 18.998
+            density = 1650
+            bulk_mod = 5
+            shear_mod = 2
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.0
+            thermal_cond = 0.0277
+            data = ["F", 9, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ne", "Neon", "neon"] or self.atomicnumber == 10:
+            mass_molar = 20.180
+            density = 0.84
+            v_p = 936
+            shear_mod = 0.0
+            bulk_mod = round(v_p**2*density*10**3*10**(-9), 3)
+            shear_mod = 0.0
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.0
+            thermal_cond = 0.0491
+            data = ["Ne", 10, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Na", "Sodium", "sodium"] or self.atomicnumber == 11:
+            mass_molar = 22.990
+            density = 970
+            bulk_mod = 6.3
+            shear_mod = 3.3
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(4.9*10**(-8), 9)
+            thermal_cond = 140
+            data = ["Na", 11, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Mg", "Magnesium", "magnesium"] or self.atomicnumber == 12:
+            mass_molar = 24.304
+            density = 1740
+            bulk_mod = 45
+            shear_mod = 17
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(4.4*10**(-8), 9)
+            thermal_cond = 160
+            data = ["Mg", 12, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Al", "Aluminium", "aluminium"] or self.atomicnumber == 13:
+            mass_molar = 26.982
+            density = 2700
+            bulk_mod = 76
+            shear_mod = 26
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(2.7*10**(-8), 9)
+            thermal_cond = 235
+            data = ["Al", 13, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Si", "Silicon", "silicon"] or self.atomicnumber == 14:
+            mass_molar = 28.085
+            density = 2330
+            bulk_mod = 100
+            young_mod = 47
+            shear_mod = round((3*bulk_mod*young_mod)/(9*bulk_mod - young_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.001
+            thermal_cond = 150
+            data = ["Si", 14, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["P", "Phosphorus", "phosphorus"] or self.atomicnumber == 15:
+            mass_molar = 30.974
+            density = 1940
+            bulk_mod = 36.09
+            shear_mod = 19.86
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(10*10**(-8), 9)
+            thermal_cond = 0.236
+            data = ["P", 15, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["S", "Sulfur", "sulfur"] or self.atomicnumber == 16:
+            mass_molar = 32.06
+            density = 2060
+            bulk_mod = 6
+            shear_mod = 4
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 1*10**(15)
+            thermal_cond = 0.205
+            data = ["S", 16, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Cl", "Chlorine", "chlorine"] or self.atomicnumber == 17:
+            mass_molar = 35.45
+            density = 2.95
+            v_p = 206
+            shear_mod = 0.0
+            bulk_mod = round(v_p**2*density*10**3*10**(-9), 3)
+            shear_mod = 0.0
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 100
+            thermal_cond = 0.0089
+            data = ["Cl", 17, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ar", "Argon", "argon"] or self.atomicnumber == 18:
+            mass_molar = 39.948
+            density = 1.66
+            v_p = 319
+            shear_mod = 0.0
+            bulk_mod = round(v_p**2*density*10**3*10**(-9), 3)
+            shear_mod = 0.0
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.0
+            thermal_cond = 0.01772
+            data = ["Ar", 18, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["K", "Potassium", "potassium"] or self.atomicnumber == 19:
+            mass_molar = 39.098
+            density = 860
+            bulk_mod = 3.1
+            shear_mod = 1.3
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(7.5*10**(-8), 9)
+            thermal_cond = 100
+            data = ["K", 19, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ca", "Calcium", "calcium"] or self.atomicnumber == 20:
+            mass_molar = 40.078
+            density = 1540
+            bulk_mod = 17
+            shear_mod = 7.4
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(3.4*10**(-8), 9)
+            thermal_cond = 200
+            data = ["Ca", 20, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Sc", "Scandium", "scandium"] or self.atomicnumber == 21:
+            mass_molar = 44.956
+            density = 2990
+            bulk_mod = 57
+            shear_mod = 29
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(55*10**(-8), 9)
+            thermal_cond = 16
+            data = ["Sc", 21, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ti", "Titanium", "titanium"] or self.atomicnumber == 22:
+            mass_molar = 47.867
+            density = 4510
+            bulk_mod = 110
+            shear_mod = 44
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(40*10**(-8), 9)
+            thermal_cond = 21.9
+            data = ["Ti", 22, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["V", "Vanadium", "vanadium"] or self.atomicnumber == 23:
+            mass_molar = 50.942
+            density = 6090
+            bulk_mod = 160
+            shear_mod = 47
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(20*10**(-8), 9)
+            thermal_cond = 30.7
+            data = ["V", 23, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Cr", "Chromium", "chromium"] or self.atomicnumber == 24:
+            mass_molar = 51.996
+            density = 7140
+            bulk_mod = 160
+            shear_mod = 115
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(12.7*10**(-8), 9)
+            thermal_cond = 94
+            data = ["Cr", 24, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Mn", "Manganese", "manganese"] or self.atomicnumber == 25:
+            mass_molar = 54.938
+            density = 7440
+            bulk_mod = 160
+            young_mod = 198
+            shear_mod = round((3*bulk_mod*young_mod)/(9*bulk_mod - young_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(144*10**(-8), 9)
+            thermal_cond = 7.8
+            data = ["Mn", 25, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Fe", "Iron", "iron"] or self.atomicnumber == 26:
+            mass_molar = 55.845
+            density = 7870
+            bulk_mod = 170
+            shear_mod = 82
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(10*10**(-8), 9)
+            thermal_cond = 80
+            data = ["Fe", 26, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Co", "Cobalt", "cobalt"] or self.atomicnumber == 27:
+            mass_molar = 58.933
+            density = 8890
+            bulk_mod = 180
+            shear_mod = 75
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(6*10**(-8), 9)
+            thermal_cond = 100
+            data = ["Co", 27, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ni", "Nickel", "nickel"] or self.atomicnumber == 28:
+            mass_molar = 58.693
+            density = 8910
+            bulk_mod = 180
+            shear_mod = 76
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(7.2*10**(-8), 9)
+            thermal_cond = 91
+            data = ["Ni", 28, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Cu", "Copper", "copper"] or self.atomicnumber == 29:
+            mass_molar = 63.546
+            density = 8920
+            bulk_mod = 140
+            shear_mod = 48
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(1.72*10**(-8), 10)
+            thermal_cond = 400
+            data = ["Cu", 29, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Zn", "Zinc", "zinc"] or self.atomicnumber == 30:
+            mass_molar = 65.38
+            density = 7140
+            bulk_mod = 70
+            shear_mod = 43
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(6.0*10**(-8), 10)
+            thermal_cond = 116
+            data = ["Zn", 30, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ga", "Gallium", "gallium"] or self.atomicnumber == 31:
+            mass_molar = 69.723
+            density = 5910
+            bulk_mod = 50
+            shear_mod = 35
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(14*10**(-8), 10)
+            thermal_cond = 29
+            data = ["Ga", 31, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ge", "Germanium", "germanium"] or self.atomicnumber == 32:
+            mass_molar = 72.630
+            density = 5320
+            bulk_mod = 59.93
+            shear_mod = 30.47
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(50000*10**(-8), 10)
+            thermal_cond = 60
+            data = ["Ge", 32, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["As", "Arsenic", "arsenic"] or self.atomicnumber == 33:
+            mass_molar = 74.922
+            density = 5720
+            bulk_mod = 22
+            young_mod = 8
+            shear_mod = round((3*bulk_mod*young_mod)/(9*bulk_mod - young_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(33*10**(-8), 10)
+            thermal_cond = 50
+            data = ["As", 33, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Se", "Selenium", "selenium"] or self.atomicnumber == 34:
+            mass_molar = 78.971
+            density = 4820
+            bulk_mod = 8.3
+            shear_mod = 3.7
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(10*10**(-8), 10)
+            thermal_cond = 0.52
+            data = ["Se", 34, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Br", "Bromine", "bromine"] or self.atomicnumber == 35:
+            mass_molar = 79.901
+            density = 3140
+            bulk_mod = 1.9
+            shear_mod = 1.425 # estimated
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(1*10**18*10**(-8), 10)
+            thermal_cond = 0.12
+            data = ["Br", 35, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Kr", "Krypton", "krypton"] or self.atomicnumber == 36:
+            mass_molar = 83.798
+            density = 3.48
+            v_p = 1120
+            shear_mod = 0.0
+            bulk_mod = round(v_p**2*density*10**3*10**(-9), 3)
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.0
+            thermal_cond = 0.00943
+            data = ["Kr", 36, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Rb", "Rubidium", "rubidium"] or self.atomicnumber == 37:
+            mass_molar = 85.468
+            density = 1530
+            bulk_mod = 2.5
+            young_mod = 2.4
+            shear_mod = round((3*bulk_mod*young_mod)/(9*bulk_mod - young_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(13.3*10**(-8), 10)
+            thermal_cond = 58
+            data = ["Rb", 37, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Sr", "Strontium", "strontium"] or self.atomicnumber == 38:
+            mass_molar = 87.62
+            density = 2630
+            shear_mod = 6.1
+            poisson = 0.28
+            bulk_mod = round((2*shear_mod*(1+poisson))/(3*(1-2*poisson)), 1)
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(13.5*10**(-8), 10)
+            thermal_cond = 35
+            data = ["Sr", 38, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Y", "Yttrium", "yttrium"] or self.atomicnumber == 39:
+            mass_molar = 88.906
+            density = 4470
+            bulk_mod = 41
+            shear_mod = 26
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(60*10**(-8), 9)
+            thermal_cond = 17.2
+            data = ["Y", 39, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Zr", "Zirconium", "zirconium"] or self.atomicnumber == 40:
+            mass_molar = 91.224
+            density = 6510
+            shear_mod = 33
+            young_mod = 68
+            bulk_mod = round((young_mod*shear_mod)/(3*(3*shear_mod-young_mod)), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(43.3*10**(-8), 9)
+            thermal_cond = 22.7
+            data = ["Zr", 40, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Nb", "Niobium", "niobium"] or self.atomicnumber == 41:
+            mass_molar = 92.906
+            density = 8580
+            bulk_mod = 170
+            shear_mod = 38
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(15.2*10**(-8), 9)
+            thermal_cond = 54
+            data = ["Nb", 41, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Mo", "Molybdenum", "molybdenum"] or self.atomicnumber == 42:
+            mass_molar = 95.95
+            density = 10280
+            bulk_mod = 230
+            shear_mod = 20
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(5.5*10**(-8), 9)
+            thermal_cond = 139
+            data = ["Mo", 42, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Tc", "Technetium", "technetium"] or self.atomicnumber == 43:
+            mass_molar = 97
+            density = 11490
+            bulk_mod = 281
+            shear_mod = 123
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.0000185
+            thermal_cond = 50.6
+            data = ["Tc", 43, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ru", "Ruthenium", "ruthenium"] or self.atomicnumber == 44:
+            mass_molar = 101.07
+            density = 12450
+            bulk_mod = 220
+            shear_mod = 173
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(7.1*10**(-8), 9)
+            thermal_cond = 120
+            data = ["Ru", 44, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Rh", "Rhodium", "rhodium"] or self.atomicnumber == 45:
+            mass_molar = 102.91
+            density = 12410
+            bulk_mod = 380
+            shear_mod = 150
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(4.3*10**(-8), 9)
+            thermal_cond = 150
+            data = ["Rh", 45, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Pd", "Palladium", "palladium"] or self.atomicnumber == 46:
+            mass_molar = 106.42
+            density = 12020
+            bulk_mod = 180
+            shear_mod = 44
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(10.8*10**(-8), 9)
+            thermal_cond = 72
+            data = ["Pd", 46, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ag", "Silver", "silver"] or self.atomicnumber == 47:
+            mass_molar = 107.87
+            density = 10490
+            bulk_mod = 100
+            shear_mod = 30
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(1.63*10**(-8), 9)
+            thermal_cond = 430
+            data = ["Ag", 47, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Cd", "Cadmium", "cadmium"] or self.atomicnumber == 48:
+            mass_molar = 112.41
+            density = 8640
+            bulk_mod = 42
+            shear_mod = 19
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(7*10**(-8), 9)
+            thermal_cond = 97
+            data = ["Cd", 48, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["In", "Indium", "indium"] or self.atomicnumber == 49:
+            mass_molar = 114.82
+            density = 7310
+            shear_mod = 4.4
+            poisson = 0.4498
+            bulk_mod = round((2*shear_mod*(1+poisson))/(3*(1-2*poisson)), 1)
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(8*10**(-8), 9)
+            thermal_cond = 82
+            data = ["In", 49, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Sn", "Tin", "tin"] or self.atomicnumber == 50:
+            mass_molar = 118.71
+            density = 7290
+            bulk_mod = 58
+            shear_mod = 18
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(11.5*10**(-8), 9)
+            thermal_cond = 66.6
+            data = ["Sn", 50, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Sb", "Antimony", "antimony"] or self.atomicnumber == 51:
+            mass_molar = 121.76
+            density = 6690
+            bulk_mod = 42
+            shear_mod = 20
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(40*10**(-8), 9)
+            thermal_cond = 24
+            data = ["Sb", 51, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Te", "Tellurium", "tellurium"] or self.atomicnumber == 52:
+            mass_molar = 127.60
+            density = 6250
+            bulk_mod = 65
+            shear_mod = 16
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(10000*10**(-8), 9)
+            thermal_cond = 3
+            data = ["Te", 52, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["I", "Iodine", "iodine"] or self.atomicnumber == 53:
+            mass_molar = 126.90
+            density = 4940
+            bulk_mod = 7.7
+            shear_mod = 6.16 # estimated
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(10**15*10**(-8), 9)
+            thermal_cond = 0.449
+            data = ["I", 53, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Xe", "Xenon", "xenon"] or self.atomicnumber == 54:
+            mass_molar = 131.29
+            density = 4.49
+            v_p = 1090
+            shear_mod = 0.0
+            bulk_mod = round(v_p**2*density*10**3*10**(-9), 3)
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = 0.0
+            thermal_cond = 0.00569
+            data = ["Xe", 54, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Cs", "Caesium", "caesium"] or self.atomicnumber == 55:
+            mass_molar = 132.91
+            density = 1900
+            bulk_mod = 1.6
+            young_mod = 1.7
+            shear_mod = round((3*bulk_mod*young_mod)/(9*bulk_mod - young_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(21*10**(-8), 10)
+            thermal_cond = 36
+            data = ["Cs", 55, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ba", "Barium", "barium"] or self.atomicnumber == 56:
+            mass_molar = 137.33
+            density = 3650
+            bulk_mod = 9.6
+            shear_mod = 4.9
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(34*10**(-8), 9)
+            thermal_cond = 18
+            data = ["Ba", 56, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["La", "Lanthanum", "lanthanum"] or self.atomicnumber == 57:
+            mass_molar = 138.91
+            density = 6160
+            bulk_mod = 28
+            shear_mod = 14
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(61.5*10**(-8), 9)
+            thermal_cond = 13
+            data = ["La", 57, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ce", "Cerium", "cerium"] or self.atomicnumber == 58:
+            mass_molar = 140.12
+            density = 6770
+            bulk_mod = 22
+            shear_mod = 14
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(74*10**(-8), 9)
+            thermal_cond = 11
+            data = ["Ce", 58, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Pr", "Prasaeodymium", "prasaeodymium"] or self.atomicnumber == 59:
+            mass_molar = 140.91
+            density = 6480
+            bulk_mod = 29
+            shear_mod = 15
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(70*10**(-8), 9)
+            thermal_cond = 13
+            data = ["Pr", 59, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Nd", "Neodymium", "neodymium"] or self.atomicnumber == 60:
+            mass_molar = 144.24
+            density = 7000
+            bulk_mod = 32
+            shear_mod = 16
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(64.3*10**(-8), 9)
+            thermal_cond = 17
+            data = ["Nd", 60, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Pm", "Promethium", "promethium"] or self.atomicnumber == 61:
+            mass_molar = 145
+            density = 7220
+            bulk_mod = 33
+            shear_mod = 18
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(75*10**(-8), 9)
+            thermal_cond = 15
+            data = ["Pm", 61, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Sm", "Samarium", "samarium"] or self.atomicnumber == 62:
+            mass_molar = 150.36
+            density = 7540
+            bulk_mod = 38
+            shear_mod = 20
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(94*10**(-8), 9)
+            thermal_cond = 13
+            data = ["Sm", 62, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Eu", "Europium", "europium"] or self.atomicnumber == 63:
+            mass_molar = 151.96
+            density = 5250
+            bulk_mod = 8.3
+            shear_mod = 7.9
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(90*10**(-8), 9)
+            thermal_cond = 14
+            data = ["Eu", 63, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Gd", "Gadolinium", "gadolinium"] or self.atomicnumber == 64:
+            mass_molar = 157.25
+            density = 7890
+            bulk_mod = 38
+            shear_mod = 22
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(131*10**(-8), 9)
+            thermal_cond = 11
+            data = ["Gd", 64, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Tb", "Terbium", "terbium"] or self.atomicnumber == 65:
+            mass_molar = 158.93
+            density = 8250
+            bulk_mod = 38.7
+            shear_mod = 22
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(115*10**(-8), 9)
+            thermal_cond = 11
+            data = ["Tb", 65, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Dy", "Dysprosium", "dysprosium"] or self.atomicnumber == 66:
+            mass_molar = 162.50
+            density = 8560
+            bulk_mod = 41
+            shear_mod = 25
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(92.6*10**(-8), 9)
+            thermal_cond = 11
+            data = ["Dy", 66, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ho", "Holmium", "holmium"] or self.atomicnumber == 67:
+            mass_molar = 164.93
+            density = 8780
+            bulk_mod = 40
+            shear_mod = 26
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(81.4*10**(-8), 9)
+            thermal_cond = 16
+            data = ["Ho", 67, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Er", "Erbium", "erbium"] or self.atomicnumber == 68:
+            mass_molar = 167.26
+            density = 9050
+            bulk_mod = 44
+            shear_mod = 28
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(86*10**(-8), 9)
+            thermal_cond = 15
+            data = ["Er", 68, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Tm", "Thulium", "thulium"] or self.atomicnumber == 69:
+            mass_molar = 168.93
+            density = 9320
+            bulk_mod = 45
+            shear_mod = 31
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(67.6*10**(-8), 9)
+            thermal_cond = 17
+            data = ["Tm", 69, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Yb", "Ytterbium", "ytterbium"] or self.atomicnumber == 70:
+            mass_molar = 173.05
+            density = 6970
+            bulk_mod = 31
+            shear_mod = 9.9
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(25*10**(-8), 9)
+            thermal_cond = 34.9
+            data = ["Yb", 70, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Lu", "Lutetium", "lutetium"] or self.atomicnumber == 71:
+            mass_molar = 174.97
+            density = 9840
+            bulk_mod = 48
+            shear_mod = 27
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(58*10**(-8), 9)
+            thermal_cond = 16
+            data = ["Lu", 71, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Hf", "Hafnium", "hafnium"] or self.atomicnumber == 72:
+            mass_molar = 178.48
+            density = 13310
+            bulk_mod = 110
+            shear_mod = 30
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(34*10**(-8), 9)
+            thermal_cond = 23
+            data = ["Hf", 72, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ta", "Tantalum", "tantalum"] or self.atomicnumber == 73:
+            mass_molar = 180.95
+            density = 16680
+            bulk_mod = 200
+            shear_mod = 69
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(13.5*10**(-8), 9)
+            thermal_cond = 57
+            data = ["Ta", 73, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["W", "Tungsten", "tungsten"] or self.atomicnumber == 74:
+            mass_molar = 183.84
+            density = 19260
+            bulk_mod = 310
+            shear_mod = 161
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(5.4*10**(-8), 9)
+            thermal_cond = 174
+            data = ["W", 74, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Re", "Rhenium", "rhenium"] or self.atomicnumber == 75:
+            mass_molar = 186.21
+            density = 21030
+            bulk_mod = 370
+            shear_mod = 178
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(18*10**(-8), 9)
+            thermal_cond = 48
+            data = ["Re", 75, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Os", "Osmium", "osmium"] or self.atomicnumber == 76:
+            mass_molar = 190.23
+            density = 22590
+            shear_mod = 222
+            poisson = 0.25
+            bulk_mod = round((2*shear_mod*(1+poisson))/(3*(1-2*poisson)), 1)
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(8.1*10**(-8), 9)
+            thermal_cond = 88
+            data = ["Os", 76, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ir", "Iridium", "iridium"] or self.atomicnumber == 77:
+            mass_molar = 192.22
+            density = 22560
+            bulk_mod = 320
+            shear_mod = 210
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(4.7*10**(-8), 9)
+            thermal_cond = 150
+            data = ["Ir", 77, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Pt", "Platinum", "platinum"] or self.atomicnumber == 78:
+            mass_molar = 195.08
+            density = 21450
+            bulk_mod = 230
+            shear_mod = 61
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(10.6*10**(-8), 9)
+            thermal_cond = 72
+            data = ["Pt", 78, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Au", "Gold", "gold"] or self.atomicnumber == 79:
+            mass_molar = 196.97
+            density = 19320
+            bulk_mod = 220
+            shear_mod = 27
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(2.2*10**(-8), 9)
+            thermal_cond = 320
+            data = ["Au", 79, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Hg", "Mercury", "mercury"] or self.atomicnumber == 80:
+            mass_molar = 200.59
+            density = 13550
+            bulk_mod = 25
+            v_p = 1407
+            shear_mod = round(0.75*(density*v_p**2 - bulk_mod*10**9)*10**(-9), 1)
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(96*10**(-8), 9)
+            thermal_cond = 8.3
+            data = ["Hg", 80, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Tl", "Thallium", "thallium"] or self.atomicnumber == 81:
+            mass_molar = 204.38
+            density = 11850
+            bulk_mod = 43
+            shear_mod = 2.8
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(15*10**(-8), 9)
+            thermal_cond = 46
+            data = ["Tl", 81, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Pb", "Lead", "lead"] or self.atomicnumber == 82:
+            mass_molar = 207.2
+            density = 11340
+            bulk_mod = 46
+            shear_mod = 5.6
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(21*10**(-8), 9)
+            thermal_cond = 35
+            data = ["Pb", 82, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Bi", "Bismuth", "bismuth"] or self.atomicnumber == 83:
+            mass_molar = 208.98
+            density = 9800
+            bulk_mod = 31
+            shear_mod = 12
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(130*10**(-8), 9)
+            thermal_cond = 8
+            data = ["Bi", 83, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Po", "Polonium", "polonium"] or self.atomicnumber == 84:
+            mass_molar = 209
+            density = 9200
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = round(40*10**(-8), 9)
+            thermal_cond = 20
+            data = ["Po", 84, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["At", "Astatine", "astatine"] or self.atomicnumber == 85:
+            mass_molar = 210
+            density = 6400
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = None
+            thermal_cond = 1.7
+            data = ["At", 85, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Rn", "Radon", "radon"] or self.atomicnumber == 86:
+            mass_molar = 222
+            density = 9.23
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = None
+            thermal_cond = 0.00361
+            data = ["Rn", 86, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Fr", "Francium", "francium"] or self.atomicnumber == 87:
+            mass_molar = 223
+            density = 348
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = None
+            thermal_cond = 15
+            data = ["Fr", 87, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ra", "Radium", "radium"] or self.atomicnumber == 88:
+            mass_molar = 226
+            density = 5500
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = round(100*10**(-8), 9)
+            thermal_cond = 19
+            data = ["Ra", 88, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Ac", "Actinium", "actinium"] or self.atomicnumber == 89:
+            mass_molar = 227
+            density = 10070
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = None
+            thermal_cond = 12
+            data = ["Ac", 89, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Th", "Thorium", "thorium"] or self.atomicnumber == 90:
+            mass_molar = 232.04
+            density = 11720
+            bulk_mod = 54
+            shear_mod = 31
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(15*10**(-8), 9)
+            thermal_cond = 54
+            data = ["Th", 90, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Pa", "Protactinium", "protactinium"] or self.atomicnumber == 91:
+            mass_molar = 231.04
+            density = 15370
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = round(18*10**(-8), 9)
+            thermal_cond = 47
+            data = ["Pa", 91, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["U", "Uranium", "uranium"] or self.atomicnumber == 92:
+            mass_molar = 238.03
+            density = 18970
+            bulk_mod = 100
+            shear_mod = 111
+            young_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(28*10**(-8), 9)
+            thermal_cond = 27.6
+            data = ["U", 92, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Np", "Neptunium", "neptunium"] or self.atomicnumber == 93:
+            mass_molar = 237
+            density = 20480
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = round(120*10**(-8), 9)
+            thermal_cond = 6
+            data = ["Np", 93, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Pu", "Plutonium", "plutonium"] or self.atomicnumber == 94:
+            mass_molar = 244
+            density = 19740
+            shear_mod = 43
+            young_mod = 96
+            bulk_mod = round((young_mod*shear_mod)/(3*(3*shear_mod-young_mod)), 1)
+            v_p = round(np.sqrt((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(density)), 2)
+            v_s = round(np.sqrt((shear_mod*10**9)/(density)), 2)
+            resistivity = round(150*10**(-8), 9)
+            thermal_cond = 6
+            data = ["Pu", 94, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Am", "Americium", "americium"] or self.atomicnumber == 95:
+            mass_molar = 243
+            density = 13670
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = None
+            thermal_cond = 10
+            data = ["Am", 95, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Cm", "Curium", "curium"] or self.atomicnumber == 96:
+            mass_molar = 247
+            density = 13510
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = None
+            thermal_cond = 10
+            data = ["Cm", 96, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Bk", "Berkelium", "berkelium"] or self.atomicnumber == 97:
+            mass_molar = 247
+            density = 13250
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = None
+            thermal_cond = 10
+            data = ["Bk", 97, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        elif self.name in ["Cf", "Californium", "californium"] or self.atomicnumber == 98:
+            mass_molar = 251
+            density = 15100
+            bulk_mod = None
+            shear_mod = None
+            young_mod = None
+            v_p = None
+            v_s = None
+            resistivity = None
+            thermal_cond = 10
+            data = ["Cf", 98, mass_molar, density, bulk_mod, shear_mod, young_mod, v_p, v_s, resistivity,
+                    thermal_cond]
+        #
+        return data
+#
+class OxideCompounds:
+    #
+    def __init__(self, var_compound=None, var_amounts=None, var_list_elements=None):
+        self.var_compound = var_compound
+        self.var_amounts = var_amounts
+        self.var_list_elements = var_list_elements
+        self.amounts_helper = {}
+        if self.var_amounts != None:
+            for item in self.var_amounts:
+                self.amounts_helper[item[0]] = item[2]
+            self.oxide_masses = {
+                "H2O": round(2*1.008 + 15.999, 3), "Li2O": round(2*6.938 + 15.999, 3),
+                "B2O3": round(2*10.806 + 3*15.999, 3), "CO2": round(12.009 + 2*15.999, 3), "F": round(18.998, 3),
+                "Na2O": round(2*22.990 + 15.999, 3), "MgO": round(24.304 + 15.999, 3),
+                "Al2O3": round(2*26.982 + 3*15.999, 3), "SiO2": round(28.084 + 2*15.999, 3),
+                "P2O5": round(2*30.974 + 5*15.999, 3), "Cl": round(35.45, 3), "K2O": round(2*39.098 + 15.999, 3),
+                "CaO": round(40.078 + 15.999, 3), "FeO": round(55.845 + 15.999, 3),
+                "Fe2O3": round(2*55.845 + 3*15.999, 3), "Rb2O": round(2*85.468 + 15.999, 3),
+                "BaO": round(137.33 + 15.999, 3), "N2O5": round(2*14.007 + 5*15.999, 3),
+                "SO3": round(32.06 + 3*15.999, 3), "Mn2O3": round(2*54.938 + 3*15.999, 3),
+                "NiO": round(58.693 + 15.999, 3), "UO2": round(238.03 + 2*15.999, 3),
+                "Cr2O3": round(2*51.996 + 3*15.999, 3), "V2O5": round(2*50.942 + 5*15.999, 3),
+                "BeO": round(9.0122 + 15.999, 3), "Sc2O3": round(2*44.956 + 3*15.999, 3),
+                "TiO2": round(47.867 + 2*15.999, 3), "CoO": round(58.933 + 15.999, 3), "CuO": round(63.546 + 15.999, 3),
+                "ZnO": round(65.38 + 15.999, 3), "Ga2O3": round(2*69.723 + 3*15.999, 3),
+                "GeO2": round(72.630 + 2*15.999, 3), "As2O3": round(2*74.922 + 3*15.999, 3),
+                "SeO2": round(78.971 + 2*15.999, 3), "Br": round(79.901, 3)}
+
+    def find_oxides(self):
+        list_oxides = []
+        for element in self.var_list_elements:
+            if element == "H":
+                list_oxides.append("H2O")
+            elif element == "Li":
+                list_oxides.append("Li2O")
+            elif element == "Be":
+                list_oxides.append("BeO")
+            elif element == "B":
+                list_oxides.append("B2O3")
+            elif element == "C":
+                list_oxides.append("CO2")
+            elif element == "N":
+                list_oxides.append("N2O5")
+            elif element == "F":
+                list_oxides.append("F")
+            elif element == "Na":
+                list_oxides.append("Na2O")
+            elif element == "Mg":
+                list_oxides.append("MgO")
+            elif element == "Al":
+                list_oxides.append("Al2O3")
+            elif element == "Si":
+                list_oxides.append("SiO2")
+            elif element == "P":
+                list_oxides.append("P2O5")
+            elif element == "S":
+                list_oxides.append("SO3")
+            elif element == "Cl":
+                list_oxides.append("Cl")
+            elif element == "K":
+                list_oxides.append("K2O")
+            elif element == "Ca":
+                list_oxides.append("CaO")
+            elif element == "Sc":
+                list_oxides.append("Sc2O3")
+            elif element == "Ti":
+                list_oxides.append("TiO2")
+            elif element == "V":
+                list_oxides.append("V2O5")
+            elif element == "Cr":
+                list_oxides.append("Cr2O3")
+            elif element == "Mn":
+                list_oxides.append("Mn2O3")
+            elif element == "Fe":
+                list_oxides.append("Fe2O3")
+            elif element == "Co":
+                list_oxides.append("CoO")
+            elif element == "Ni":
+                list_oxides.append("NiO")
+            elif element == "Cu":
+                list_oxides.append("CuO")
+            elif element == "Zn":
+                list_oxides.append("ZnO")
+            elif element == "Ga":
+                list_oxides.append("Ga2O3")
+            elif element == "Ge":
+                list_oxides.append("GeO2")
+            elif element == "As":
+                list_oxides.append("As2O3")
+            elif element == "Se":
+                list_oxides.append("SeO2")
+            elif element == "Br":
+                list_oxides.append("Br")
+
+        return list_oxides
+
+    def get_composition(self): # see element to stoichiometric oxide conversion factors
+        result = {"Oxide": [self.var_compound]}
+        if self.var_compound not in ["F", "Cl", "Br", "I"]:
+            key = re.search("(\D+)(\d*)(\D+)(\d*)", self.var_compound)
+
+            if key:
+                var_element_1 = key.group(1)
+                var_amount_1 = key.group(2)
+                var_element_2 = key.group(3)
+                var_amount_2 = key.group(4)
+
+                if var_amount_1 == "":
+                    var_amount_1 = 1
+                if var_amount_2 == "":
+                    var_amount_2 = 1
+
+                var_amount_1 = int(var_amount_1)
+                var_amount_2 = int(var_amount_2)
+
+                molar_mass_total = self.oxide_masses[self.var_compound]
+                w_1 = round(var_amount_1*PeriodicSystem(name=var_element_1).get_data()[2]/molar_mass_total, 6)
+                w_2 = round(var_amount_2*PeriodicSystem(name=var_element_2).get_data()[2]/molar_mass_total, 6)
+                w_oxide = round(self.amounts_helper[var_element_1]*1/w_1, 6)
+
+                result["Oxide"] = [molar_mass_total, w_oxide]
+                result[var_element_1] = [int(var_amount_1), w_1]
+                result[var_element_2] = [int(var_amount_2), w_2]
+                result["Conversion"] = round(1/w_1, 6)
+        else:
+            molar_mass_total = self.oxide_masses[self.var_compound]
+            w_1 = round(PeriodicSystem(name=self.var_compound).get_data()[2]/molar_mass_total, 6)
+            w_oxide = round(self.amounts_helper[self.var_compound]*1/w_1, 6)
+
+            result["Oxide"] = [molar_mass_total, w_oxide]
+            result[self.var_compound] = [int(1), w_1]
+            result["Conversion"] = round(1/w_1, 6)
+
+        return result
+#
+class DataProcessing():
+    #
+    def __init__(self, majors, minors):
+        self.majors = majors
+        self.minors = minors
+    #
+    def make_dataset(self):
+        dataset = []
+        for i in self.majors:
+            dataset.append(PeriodicSystem(name=i).get_data())
+        for i in self.minors:
+            dataset.append(PeriodicSystem(name=i).get_data())
+        dataset = np.array(dataset, dtype=object)
+        dataset = dataset[dataset[:, 1].argsort()]
+        #
+        return dataset