mat3ra-esse 2025.7.29.post0__py3-none-any.whl → 2025.8.6.post0__py3-none-any.whl

mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell_with_gap.py

@@ -1,1151 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  materials_category/pristine_structures/two_dimensional/slab_strained_supercell_with_gap.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Literal, Optional, Union
-
-from pydantic import BaseModel, Field, RootModel, confloat, conint, constr
-
-
-class SupercellMatrix2DSchemaItem(RootModel[List[int]]):
-    root: List[int]
-
-
-class ArrayOf3NumberElementsSchema(RootModel[List[float]]):
-    root: List[float] = Field(..., title="array of 3 number elements schema")
-
-
-class ChemicalElements(Enum):
-    H = "H"
-    He = "He"
-    Li = "Li"
-    Be = "Be"
-    B = "B"
-    C = "C"
-    N = "N"
-    O = "O"
-    F = "F"
-    Ne = "Ne"
-    Na = "Na"
-    Mg = "Mg"
-    Al = "Al"
-    Si = "Si"
-    P = "P"
-    S = "S"
-    Cl = "Cl"
-    Ar = "Ar"
-    K = "K"
-    Ca = "Ca"
-    Sc = "Sc"
-    Ti = "Ti"
-    V = "V"
-    Cr = "Cr"
-    Mn = "Mn"
-    Fe = "Fe"
-    Co = "Co"
-    Ni = "Ni"
-    Cu = "Cu"
-    Zn = "Zn"
-    Ga = "Ga"
-    Ge = "Ge"
-    As = "As"
-    Se = "Se"
-    Br = "Br"
-    Kr = "Kr"
-    Rb = "Rb"
-    Sr = "Sr"
-    Y = "Y"
-    Zr = "Zr"
-    Nb = "Nb"
-    Mo = "Mo"
-    Tc = "Tc"
-    Ru = "Ru"
-    Rh = "Rh"
-    Pd = "Pd"
-    Ag = "Ag"
-    Cd = "Cd"
-    In = "In"
-    Sn = "Sn"
-    Sb = "Sb"
-    Te = "Te"
-    I = "I"
-    Xe = "Xe"
-    Cs = "Cs"
-    Ba = "Ba"
-    La = "La"
-    Ce = "Ce"
-    Pr = "Pr"
-    Nd = "Nd"
-    Pm = "Pm"
-    Sm = "Sm"
-    Eu = "Eu"
-    Gd = "Gd"
-    Tb = "Tb"
-    Dy = "Dy"
-    Ho = "Ho"
-    Er = "Er"
-    Tm = "Tm"
-    Yb = "Yb"
-    Lu = "Lu"
-    Hf = "Hf"
-    Ta = "Ta"
-    W = "W"
-    Re = "Re"
-    Os = "Os"
-    Ir = "Ir"
-    Pt = "Pt"
-    Au = "Au"
-    Hg = "Hg"
-    Tl = "Tl"
-    Pb = "Pb"
-    Bi = "Bi"
-    Po = "Po"
-    At = "At"
-    Rn = "Rn"
-    Fr = "Fr"
-    Ra = "Ra"
-    Ac = "Ac"
-    Th = "Th"
-    Pa = "Pa"
-    U = "U"
-    Np = "Np"
-    Pu = "Pu"
-    Am = "Am"
-    Cm = "Cm"
-    Bk = "Bk"
-    Cf = "Cf"
-    Es = "Es"
-    Fm = "Fm"
-    Md = "Md"
-    No = "No"
-    Lr = "Lr"
-    Rf = "Rf"
-    Db = "Db"
-    Sg = "Sg"
-    Bh = "Bh"
-    Hs = "Hs"
-    Mt = "Mt"
-    Ds = "Ds"
-    Rg = "Rg"
-    Cn = "Cn"
-    Nh = "Nh"
-    Fl = "Fl"
-    Mc = "Mc"
-    Lv = "Lv"
-    Ts = "Ts"
-    Og = "Og"
-
-
-class TerminationSchema(BaseModel):
-    chemical_elements: Union[ChemicalElements, constr(pattern=r"^([A-Z][a-z]?[0-9]*)+$")] = Field(
-        ..., title="Chemical Elements"
-    )
-    """
-    Chemical elements at the termination. Can be a single element (e.g. 'Si') or a compound (e.g. 'SiO')
-    """
-    space_group_symmetry_label: str = Field(..., title="Space Group Symmetry Label")
-    """
-    Space group symmetry designation for the termination
-    """
-
-
-class Value(Enum):
-    H = "H"
-    He = "He"
-    Li = "Li"
-    Be = "Be"
-    B = "B"
-    C = "C"
-    N = "N"
-    O = "O"
-    F = "F"
-    Ne = "Ne"
-    Na = "Na"
-    Mg = "Mg"
-    Al = "Al"
-    Si = "Si"
-    P = "P"
-    S = "S"
-    Cl = "Cl"
-    Ar = "Ar"
-    K = "K"
-    Ca = "Ca"
-    Sc = "Sc"
-    Ti = "Ti"
-    V = "V"
-    Cr = "Cr"
-    Mn = "Mn"
-    Fe = "Fe"
-    Co = "Co"
-    Ni = "Ni"
-    Cu = "Cu"
-    Zn = "Zn"
-    Ga = "Ga"
-    Ge = "Ge"
-    As = "As"
-    Se = "Se"
-    Br = "Br"
-    Kr = "Kr"
-    Rb = "Rb"
-    Sr = "Sr"
-    Y = "Y"
-    Zr = "Zr"
-    Nb = "Nb"
-    Mo = "Mo"
-    Tc = "Tc"
-    Ru = "Ru"
-    Rh = "Rh"
-    Pd = "Pd"
-    Ag = "Ag"
-    Cd = "Cd"
-    In = "In"
-    Sn = "Sn"
-    Sb = "Sb"
-    Te = "Te"
-    I = "I"
-    Xe = "Xe"
-    Cs = "Cs"
-    Ba = "Ba"
-    La = "La"
-    Ce = "Ce"
-    Pr = "Pr"
-    Nd = "Nd"
-    Pm = "Pm"
-    Sm = "Sm"
-    Eu = "Eu"
-    Gd = "Gd"
-    Tb = "Tb"
-    Dy = "Dy"
-    Ho = "Ho"
-    Er = "Er"
-    Tm = "Tm"
-    Yb = "Yb"
-    Lu = "Lu"
-    Hf = "Hf"
-    Ta = "Ta"
-    W = "W"
-    Re = "Re"
-    Os = "Os"
-    Ir = "Ir"
-    Pt = "Pt"
-    Au = "Au"
-    Hg = "Hg"
-    Tl = "Tl"
-    Pb = "Pb"
-    Bi = "Bi"
-    Po = "Po"
-    At = "At"
-    Rn = "Rn"
-    Fr = "Fr"
-    Ra = "Ra"
-    Ac = "Ac"
-    Th = "Th"
-    Pa = "Pa"
-    U = "U"
-    Np = "Np"
-    Pu = "Pu"
-    Am = "Am"
-    Cm = "Cm"
-    Bk = "Bk"
-    Cf = "Cf"
-    Es = "Es"
-    Fm = "Fm"
-    Md = "Md"
-    No = "No"
-    Lr = "Lr"
-    Rf = "Rf"
-    Db = "Db"
-    Sg = "Sg"
-    Bh = "Bh"
-    Hs = "Hs"
-    Mt = "Mt"
-    Ds = "Ds"
-    Rg = "Rg"
-    Cn = "Cn"
-    Nh = "Nh"
-    Fl = "Fl"
-    Mc = "Mc"
-    Lv = "Lv"
-    Ts = "Ts"
-    Og = "Og"
-
-
-class Value185(Enum):
-    X = "X"
-    Vac = "Vac"
-
-
-class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value185]
-    """
-    All elements, including extra elements
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class AtomicCoordinateSchema(BaseModel):
-    value: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
-    """
-    value of this entry
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisUnitsEnum(Enum):
-    crystal = "crystal"
-    cartesian = "cartesian"
-
-
-class AtomicLabelSchema(BaseModel):
-    value: Union[Union[int, str, float], conint(ge=1, le=9)]
-    """
-    value of this entry
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisSchema(BaseModel):
-    elements: List[AtomicElementSchema] = Field(..., title="atomic elements schema")
-    """
-    atomic elements schema
-    """
-    coordinates: List[AtomicCoordinateSchema] = Field(..., title="atomic coordinates schema")
-    """
-    atomic coordinates schema
-    """
-    units: Optional[BasisUnitsEnum] = Field("crystal", title="basis units enum")
-    labels: Optional[List[AtomicLabelSchema]] = Field(None, title="atomic labels schema")
-    """
-    atomic labels schema
-    """
-
-
-class LatticeVectorsUnitsEnum(Enum):
-    angstrom = "angstrom"
-    bohr = "bohr"
-
-
-class LatticeVectorsSchema(BaseModel):
-    a: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    b: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    c: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    alat: Optional[float] = 1
-    """
-    lattice parameter for fractional coordinates
-    """
-    units: Optional[LatticeVectorsUnitsEnum] = Field("angstrom", title="lattice vectors units enum")
-
-
-class LatticeTypeEnum(Enum):
-    CUB = "CUB"
-    BCC = "BCC"
-    FCC = "FCC"
-    TET = "TET"
-    MCL = "MCL"
-    ORC = "ORC"
-    ORCC = "ORCC"
-    ORCF = "ORCF"
-    ORCI = "ORCI"
-    HEX = "HEX"
-    BCT = "BCT"
-    TRI = "TRI"
-    MCLC = "MCLC"
-    RHL = "RHL"
-
-
-class LatticeUnitsLengthEnum(Enum):
-    angstrom = "angstrom"
-    bohr = "bohr"
-
-
-class LatticeUnitsAngleEnum(Enum):
-    degree = "degree"
-    radian = "radian"
-
-
-class LatticeUnitsSchema(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema(BaseModel):
-    a: float
-    """
-    length of the first lattice vector
-    """
-    b: float
-    """
-    length of the second lattice vector
-    """
-    c: float
-    """
-    length of the third lattice vector
-    """
-    alpha: float
-    """
-    angle between first and second lattice vector
-    """
-    beta: float
-    """
-    angle between second and third lattice vector
-    """
-    gamma: float
-    """
-    angle between first and third lattice vector
-    """
-    vectors: Optional[LatticeVectorsSchema] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema] = Field(
-        default_factory=lambda: LatticeUnitsSchema.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name(Enum):
-    volume = "volume"
-
-
-class Units(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units] = None
-    value: float
-
-
-class Name741(Enum):
-    density = "density"
-
-
-class Units300(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units300] = None
-    value: float
-
-
-class Units301(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema(BaseModel):
-    units: Optional[Units301] = None
-    value: float
-
-
-class Name742(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name743(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio(BaseModel):
-    name: Literal["3#-datamodel-code-generator-#-object-#-special-#"]
-    value: confloat(ge=0.0, le=1.0)
-    element: Optional[str] = None
-    """
-    the element this ratio is for
-    """
-
-
-class Name744(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name745(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name746(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema(
-    RootModel[
-        Union[
-            VolumeSchema,
-            DensitySchema,
-            SymmetrySchema,
-            ElementalRatio,
-            PNorm,
-            InChIRepresentationSchema,
-            InChIKeyRepresentationSchema,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema,
-        DensitySchema,
-        SymmetrySchema,
-        ElementalRatio,
-        PNorm,
-        InChIRepresentationSchema,
-        InChIKeyRepresentationSchema,
-    ] = Field(..., discriminator="name")
-
-
-class DatabaseSourceSchema(BaseModel):
-    id: Union[str, float]
-    """
-    ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32
-    """
-    source: str
-    """
-    Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
-    """
-    origin: bool
-    """
-    Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
-    """
-    data: Optional[Dict[str, Any]] = None
-    """
-    Original response from external source.
-    """
-    doi: Optional[str] = None
-    """
-    Digital Object Identifier, e.g. 10.1088/0953-8984/25/10/105506
-    """
-    url: Optional[str] = None
-    """
-    The URL of the original record, e.g. https://next-gen.materialsproject.org/materials/mp-48; ToDo: update to use URI type per https://json-schema.org/understanding-json-schema/reference/string#resource-identifiers
-    """
-
-
-class FileSourceSchema(BaseModel):
-    extension: Optional[str] = None
-    """
-    file extension
-    """
-    filename: str
-    """
-    file name without extension
-    """
-    text: str
-    """
-    file content as raw text
-    """
-    hash: str
-    """
-    MD5 hash based on file content
-    """
-
-
-class Name747(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name747
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class CrystalSchema(BaseModel):
-    formula: Optional[str] = None
-    """
-    reduced chemical formula
-    """
-    unitCellFormula: Optional[str] = None
-    """
-    chemical formula based on the number of atoms of each element in the supercell
-    """
-    basis: BasisSchema = Field(..., title="basis schema")
-    lattice: LatticeSchema = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema]] = Field(None, title="derived properties schema")
-    external: Optional[DatabaseSourceSchema] = Field(None, title="database source schema")
-    """
-    information about a database source
-    """
-    src: Optional[FileSourceSchema] = Field(None, title="file source schema")
-    """
-    file source with the information inside
-    """
-    scaledHash: Optional[str] = None
-    """
-    Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
-    """
-    icsdId: Optional[int] = None
-    """
-    Corresponding ICSD id of the material
-    """
-    isNonPeriodic: Optional[bool] = None
-    """
-    Whether to work in the finite molecular picture (usually with atomic orbital basis)
-    """
-    consistencyChecks: Optional[List[MaterialConsistencyCheckSchema]] = None
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    metadata: Optional[Dict[str, Any]] = None
-
-
-class AtomicLayersUniqueRepeatedSchema(BaseModel):
-    termination_top: TerminationSchema = Field(..., title="Termination Schema")
-    """
-    Defines a specific termination of a slab
-    """
-    number_of_repetitions: conint(ge=1)
-    """
-    Number of repetitions of the unique atomic layers
-    """
-    miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
-    """
-    Miller indices [h, k, l] defining crystallographic planes
-    """
-    crystal: CrystalSchema = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
-    use_conventional_cell: Optional[bool] = True
-    """
-    Use the conventional cell for the crystal structure
-    """
-
-
-class AxisEnum(Enum):
-    x = "x"
-    y = "y"
-    z = "z"
-
-
-class Value186(Enum):
-    H = "H"
-    He = "He"
-    Li = "Li"
-    Be = "Be"
-    B = "B"
-    C = "C"
-    N = "N"
-    O = "O"
-    F = "F"
-    Ne = "Ne"
-    Na = "Na"
-    Mg = "Mg"
-    Al = "Al"
-    Si = "Si"
-    P = "P"
-    S = "S"
-    Cl = "Cl"
-    Ar = "Ar"
-    K = "K"
-    Ca = "Ca"
-    Sc = "Sc"
-    Ti = "Ti"
-    V = "V"
-    Cr = "Cr"
-    Mn = "Mn"
-    Fe = "Fe"
-    Co = "Co"
-    Ni = "Ni"
-    Cu = "Cu"
-    Zn = "Zn"
-    Ga = "Ga"
-    Ge = "Ge"
-    As = "As"
-    Se = "Se"
-    Br = "Br"
-    Kr = "Kr"
-    Rb = "Rb"
-    Sr = "Sr"
-    Y = "Y"
-    Zr = "Zr"
-    Nb = "Nb"
-    Mo = "Mo"
-    Tc = "Tc"
-    Ru = "Ru"
-    Rh = "Rh"
-    Pd = "Pd"
-    Ag = "Ag"
-    Cd = "Cd"
-    In = "In"
-    Sn = "Sn"
-    Sb = "Sb"
-    Te = "Te"
-    I = "I"
-    Xe = "Xe"
-    Cs = "Cs"
-    Ba = "Ba"
-    La = "La"
-    Ce = "Ce"
-    Pr = "Pr"
-    Nd = "Nd"
-    Pm = "Pm"
-    Sm = "Sm"
-    Eu = "Eu"
-    Gd = "Gd"
-    Tb = "Tb"
-    Dy = "Dy"
-    Ho = "Ho"
-    Er = "Er"
-    Tm = "Tm"
-    Yb = "Yb"
-    Lu = "Lu"
-    Hf = "Hf"
-    Ta = "Ta"
-    W = "W"
-    Re = "Re"
-    Os = "Os"
-    Ir = "Ir"
-    Pt = "Pt"
-    Au = "Au"
-    Hg = "Hg"
-    Tl = "Tl"
-    Pb = "Pb"
-    Bi = "Bi"
-    Po = "Po"
-    At = "At"
-    Rn = "Rn"
-    Fr = "Fr"
-    Ra = "Ra"
-    Ac = "Ac"
-    Th = "Th"
-    Pa = "Pa"
-    U = "U"
-    Np = "Np"
-    Pu = "Pu"
-    Am = "Am"
-    Cm = "Cm"
-    Bk = "Bk"
-    Cf = "Cf"
-    Es = "Es"
-    Fm = "Fm"
-    Md = "Md"
-    No = "No"
-    Lr = "Lr"
-    Rf = "Rf"
-    Db = "Db"
-    Sg = "Sg"
-    Bh = "Bh"
-    Hs = "Hs"
-    Mt = "Mt"
-    Ds = "Ds"
-    Rg = "Rg"
-    Cn = "Cn"
-    Nh = "Nh"
-    Fl = "Fl"
-    Mc = "Mc"
-    Lv = "Lv"
-    Ts = "Ts"
-    Og = "Og"
-
-
-class Value187(Enum):
-    X = "X"
-    Vac = "Vac"
-
-
-class AtomicElementSchema89(BaseModel):
-    value: Union[Value186, Value187]
-    """
-    All elements, including extra elements
-    """
-    id: int
-    """
-    integer id of this entry
-    """
-
-
-class BasisSchema87(BaseModel):
-    elements: List[AtomicElementSchema89] = Field(..., title="atomic elements schema")
-    """
-    atomic elements schema
-    """
-    coordinates: List[AtomicCoordinateSchema] = Field(..., title="atomic coordinates schema")
-    """
-    atomic coordinates schema
-    """
-    units: Optional[BasisUnitsEnum] = Field("crystal", title="basis units enum")
-    labels: Optional[List[AtomicLabelSchema]] = Field(None, title="atomic labels schema")
-    """
-    atomic labels schema
-    """
-
-
-class LatticeVectorsSchema87(BaseModel):
-    a: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    b: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    c: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
-    alat: Optional[float] = 1
-    """
-    lattice parameter for fractional coordinates
-    """
-    units: Optional[LatticeVectorsUnitsEnum] = Field("angstrom", title="lattice vectors units enum")
-
-
-class LatticeUnitsSchema88(BaseModel):
-    length: Optional[LatticeUnitsLengthEnum] = Field("angstrom", title="lattice units length enum")
-    angle: Optional[LatticeUnitsAngleEnum] = Field("degree", title="lattice units angle enum")
-
-
-class LatticeSchema87(BaseModel):
-    a: float
-    """
-    length of the first lattice vector
-    """
-    b: float
-    """
-    length of the second lattice vector
-    """
-    c: float
-    """
-    length of the third lattice vector
-    """
-    alpha: float
-    """
-    angle between first and second lattice vector
-    """
-    beta: float
-    """
-    angle between second and third lattice vector
-    """
-    gamma: float
-    """
-    angle between first and third lattice vector
-    """
-    vectors: Optional[LatticeVectorsSchema87] = Field(None, title="lattice vectors schema")
-    type: Optional[LatticeTypeEnum] = Field("TRI", title="lattice type enum")
-    units: Optional[LatticeUnitsSchema88] = Field(
-        default_factory=lambda: LatticeUnitsSchema88.model_validate({"length": "angstrom", "angle": "degree"}),
-        title="Lattice units schema",
-    )
-
-
-class Name748(Enum):
-    volume = "volume"
-
-
-class Units302(Enum):
-    angstrom_3 = "angstrom^3"
-
-
-class VolumeSchema87(BaseModel):
-    name: Literal["0#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units302] = None
-    value: float
-
-
-class Name749(Enum):
-    density = "density"
-
-
-class Units303(Enum):
-    g_cm_3 = "g/cm^3"
-
-
-class DensitySchema88(BaseModel):
-    name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units303] = None
-    value: float
-
-
-class Units304(Enum):
-    angstrom = "angstrom"
-
-
-class ScalarSchema89(BaseModel):
-    units: Optional[Units304] = None
-    value: float
-
-
-class Name750(Enum):
-    symmetry = "symmetry"
-
-
-class SymmetrySchema87(BaseModel):
-    pointGroupSymbol: Optional[str] = None
-    """
-    point group symbol in Schoenflies notation
-    """
-    spaceGroupSymbol: Optional[str] = None
-    """
-    space group symbol in Hermann–Mauguin notation
-    """
-    tolerance: Optional[ScalarSchema89] = Field(None, title="scalar schema")
-    """
-    tolerance used for symmetry calculation
-    """
-    name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
-
-
-class Name751(Enum):
-    elemental_ratio = "elemental_ratio"
-
-
-class ElementalRatio88(BaseModel):
-    name: Literal["3#-datamodel-code-generator-#-object-#-special-#"]
-    value: confloat(ge=0.0, le=1.0)
-    element: Optional[str] = None
-    """
-    the element this ratio is for
-    """
-
-
-class Name752(Enum):
-    p_norm = "p-norm"
-
-
-class PNorm88(BaseModel):
-    name: Literal["4#-datamodel-code-generator-#-object-#-special-#"]
-    degree: Optional[int] = None
-    """
-    degree of the dimensionality of the norm
-    """
-    value: float
-
-
-class Name753(Enum):
-    inchi = "inchi"
-
-
-class InChIRepresentationSchema88(BaseModel):
-    name: Literal["5#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class Name754(Enum):
-    inchi_key = "inchi_key"
-
-
-class InChIKeyRepresentationSchema88(BaseModel):
-    name: Literal["6#-datamodel-code-generator-#-object-#-special-#"]
-    value: str
-
-
-class DerivedPropertiesSchema88(
-    RootModel[
-        Union[
-            VolumeSchema87,
-            DensitySchema88,
-            SymmetrySchema87,
-            ElementalRatio88,
-            PNorm88,
-            InChIRepresentationSchema88,
-            InChIKeyRepresentationSchema88,
-        ]
-    ]
-):
-    root: Union[
-        VolumeSchema87,
-        DensitySchema88,
-        SymmetrySchema87,
-        ElementalRatio88,
-        PNorm88,
-        InChIRepresentationSchema88,
-        InChIKeyRepresentationSchema88,
-    ] = Field(..., discriminator="name")
-
-
-class Name755(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class MaterialConsistencyCheckSchema87(BaseModel):
-    name: Name755
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class CrystalSchema82(BaseModel):
-    formula: Optional[str] = None
-    """
-    reduced chemical formula
-    """
-    unitCellFormula: Optional[str] = None
-    """
-    chemical formula based on the number of atoms of each element in the supercell
-    """
-    basis: BasisSchema87 = Field(..., title="basis schema")
-    lattice: LatticeSchema87 = Field(..., title="lattice schema")
-    derivedProperties: Optional[List[DerivedPropertiesSchema88]] = Field(None, title="derived properties schema")
-    external: Optional[DatabaseSourceSchema] = Field(None, title="database source schema")
-    """
-    information about a database source
-    """
-    src: Optional[FileSourceSchema] = Field(None, title="file source schema")
-    """
-    file source with the information inside
-    """
-    scaledHash: Optional[str] = None
-    """
-    Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).
-    """
-    icsdId: Optional[int] = None
-    """
-    Corresponding ICSD id of the material
-    """
-    isNonPeriodic: Optional[bool] = None
-    """
-    Whether to work in the finite molecular picture (usually with atomic orbital basis)
-    """
-    consistencyChecks: Optional[List[MaterialConsistencyCheckSchema87]] = None
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    metadata: Optional[Dict[str, Any]] = None
-
-
-class VacuumConfigurationSchema(BaseModel):
-    direction: AxisEnum = Field(..., title="Axis Enum")
-    """
-    Enum for axis types
-    """
-    size: Optional[confloat(ge=0.0)] = 10
-    """
-    Size of the vacuum slab in angstroms
-    """
-    crystal: CrystalSchema82 = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
-
-
-class SlabStrainedSupercellWithGapConfigurationSchema(BaseModel):
-    gap: Optional[confloat(ge=0.0)] = None
-    """
-    If provided, the film is shifted to have it as smallest distance to the substrate
-    """
-    xy_supercell_matrix: Optional[List[SupercellMatrix2DSchemaItem]] = Field(
-        default_factory=lambda: [SupercellMatrix2DSchemaItem.model_validate(v) for v in [[1, 0], [0, 1]]],
-        max_length=2,
-        min_length=2,
-        title="Supercell Matrix 2D Schema",
-    )
-    """
-    Supercell matrix for xy plane transformations
-    """
-    strain_matrix: List[ArrayOf3NumberElementsSchema] = Field(
-        ..., max_length=3, min_length=3, title="matrix 3x3 schema"
-    )
-    stack_components: List[Union[AtomicLayersUniqueRepeatedSchema, VacuumConfigurationSchema]] = Field(
-        ..., max_length=2, min_length=2
-    )
-    direction: Optional[AxisEnum] = Field("z", title="Axis Enum")
-    """
-    Enum for axis types
-    """