@mat3ra/made 2025.8.7-1 → 2025.8.8-0

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/made",
-    "version": "2025.8.7-1",
+    "version": "2025.8.8-0",
     "description": "MAterials DEsign library",
     "scripts": {
         "lint": "eslint --cache src/js tests/js && prettier --write src/js tests/js",

package/pyproject.toml

@@ -19,7 +19,7 @@ dependencies = [
     # new verison of numpy==2.0.0 is not handled by pymatgen yet
     "numpy<=1.26.4",
     "mat3ra-utils",
-    "mat3ra-esse @ git+https://github.com/Exabyte-io/esse.git@fe1c134459a1a1fe6646bb0d82a075db256cb09c",
+    "mat3ra-esse",
     "mat3ra-code"
 
 ]

package/src/py/mat3ra/made/tools/build/compound_pristine_structures/two_dimensional/interface/base/helpers.py

@@ -110,7 +110,7 @@ def create_interface_simple(
         miller_indices=substrate_miller_indices,
         number_of_layers=substrate_number_of_layers,
         vacuum=0,
-        termination_formula=substrate_termination_formula,
+        termination_top_formula=substrate_termination_formula,
         xy_supercell_matrix=substrate_xy_supercell_matrix,
         use_conventional_cell=use_conventional_cell,
     )
@@ -119,7 +119,7 @@ def create_interface_simple(
         miller_indices=film_miller_indices,
         number_of_layers=film_number_of_layers,
         vacuum=0,
-        termination_formula=film_termination_formula,
+        termination_top_formula=film_termination_formula,
         xy_supercell_matrix=film_xy_supercell_matrix,
         use_conventional_cell=use_conventional_cell,
     )

package/src/py/mat3ra/made/tools/build/compound_pristine_structures/two_dimensional/interface/zsl/helpers.py

@@ -46,7 +46,7 @@ def create_interface_zsl(
         miller_indices=substrate_miller_indices,
         number_of_layers=substrate_number_of_layers,
         vacuum=0,
-        termination_formula=substrate_termination_formula,
+        termination_bottom_formula=substrate_termination_formula,
         use_conventional_cell=use_conventional_cell,
     )
     film_slab = create_slab(
@@ -54,7 +54,7 @@ def create_interface_zsl(
         miller_indices=film_miller_indices,
         number_of_layers=film_number_of_layers,
         vacuum=0,
-        termination_formula=film_termination_formula,
+        termination_top_formula=film_termination_formula,
         use_conventional_cell=use_conventional_cell,
     )
 

package/src/py/mat3ra/made/tools/build/pristine_structures/two_dimensional/slab/configuration.py

@@ -12,6 +12,7 @@ from .....build_components.metadata import MaterialWithBuildMetadata
 from .....build_components import select_slab_termination
 from .....build_components.operations.core.combinations.stack.configuration import StackConfiguration
 from .....build_components.entities.core.two_dimensional.vacuum.configuration import VacuumConfiguration
+from .....build_components.entities.auxiliary.two_dimensional.termination import Termination
 
 
 class SlabConfiguration(StackConfiguration, SlabConfigurationSchema):
@@ -19,6 +20,9 @@ class SlabConfiguration(StackConfiguration, SlabConfigurationSchema):
     stack_components: List[Union[AtomicLayersUniqueRepeatedConfiguration, VacuumConfiguration]]  # No Materials!
     direction: AxisEnum = AxisEnum.z
 
+    termination_top: Optional[Termination] = None
+    termination_bottom: Optional[Termination] = None
+
     @property
     def number_of_layers(self):
         return self.atomic_layers.number_of_repetitions
@@ -46,7 +50,8 @@ class SlabConfiguration(StackConfiguration, SlabConfigurationSchema):
         material_or_dict: Union[Material, dict],
         miller_indices: Tuple[int, int, int],
         number_of_layers: int,
-        termination_formula: Optional[str] = None,
+        termination_top_formula: Optional[str] = None,
+        termination_bottom_formula: Optional[str] = None,
         vacuum: float = 10.0,
         use_conventional_cell: bool = True,
     ) -> "SlabConfiguration":
@@ -56,7 +61,9 @@ class SlabConfiguration(StackConfiguration, SlabConfigurationSchema):
             material_or_dict (Union[Material, dict]): Material or dictionary representation of the material.
             miller_indices (Tuple[int, int, int]): Miller indices for the slab surface.
             number_of_layers (int): Number of atomic layers in the slab, in the number of unit cells.
-            termination_formula (Optional[str]): Formula of the termination to use for the slab (i.e. "SrTiO").
+            termination_top_formula (Optional[str]): Formula of the top termination to use for the slab (i.e. "SrTiO").
+            termination_bottom_formula (Optional[str]): Formula of the bottom termination to use for the slab.
+
             vacuum (float): Size of the vacuum layer in Angstroms.
 
         Returns:
@@ -71,14 +78,16 @@ class SlabConfiguration(StackConfiguration, SlabConfigurationSchema):
             material=material, miller_indices=miller_indices
         )
         terminations = crystal_lattice_planes_analyzer.terminations
-        termination = select_slab_termination(terminations, termination_formula)
+        termination_top = select_slab_termination(terminations, termination_top_formula)
+        termination_bottom = select_slab_termination(terminations, termination_bottom_formula)
 
         if use_conventional_cell:
             material = crystal_lattice_planes_analyzer.material_with_conventional_lattice
         atomic_layers_repeated_configuration = AtomicLayersUniqueRepeatedConfiguration(
             crystal=material,
             miller_indices=miller_indices,
-            termination_top=termination,
+            termination_top=termination_top,
+            termination_bottom=termination_bottom,
             number_of_repetitions=number_of_layers,
         )
 

package/src/py/mat3ra/made/tools/build/pristine_structures/two_dimensional/slab/helpers.py

@@ -15,8 +15,10 @@ def create_slab(
     miller_indices: Tuple[int, int, int] = (0, 0, 1),
     use_conventional_cell=True,
     use_orthogonal_c: bool = True,
-    termination: Optional[Termination] = None,
-    termination_formula: Optional[str] = None,
+    termination_top: Optional[Termination] = None,
+    termination_bottom: Optional[Termination] = None,
+    termination_top_formula: Optional[str] = None,
+    termination_bottom_formula: Optional[str] = None,
     number_of_layers=1,
     vacuum=10.0,
     xy_supercell_matrix=DEFAULT_XY_SUPERCELL_MATRIX,
@@ -46,8 +48,10 @@ def create_slab(
         )
         material_to_use = crystal_lattice_planes_analyzer.material_with_conventional_lattice
 
-    if termination is not None:
-        termination_formula = termination.formula
+    if termination_top is not None:
+        termination_top_formula = termination_top.formula
+    if termination_bottom is not None:
+        termination_bottom_formula = termination_bottom.formula
 
     slab_builder_parameters = SlabBuilderParameters(
         xy_supercell_matrix=xy_supercell_matrix,
@@ -57,7 +61,8 @@ def create_slab(
         material_or_dict=material_to_use,
         miller_indices=miller_indices,
         number_of_layers=number_of_layers,
-        termination_formula=termination_formula,
+        termination_top_formula=termination_top_formula,
+        termination_bottom_formula=termination_bottom_formula,
         vacuum=vacuum,
         use_conventional_cell=use_conventional_cell,
     )

package/src/py/mat3ra/made/tools/build_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated/builder.py

@@ -2,7 +2,7 @@ from typing import Type
 
 from ......analyze import BaseMaterialAnalyzer
 from ......modify import wrap_to_unit_cell
-from ......operations.core.unary import supercell, translate
+from ......operations.core.unary import rotate, supercell, translate
 from ..... import MaterialWithBuildMetadata
 from ....auxiliary.two_dimensional.miller_indices import MillerIndices
 from ..crystal_lattice_planes.builder import CrystalLatticePlanesBuilder
@@ -16,15 +16,28 @@ class AtomicLayersUniqueRepeatedBuilder(CrystalLatticePlanesBuilder):
         crystal_lattice_planes_material = super()._generate(configuration)
 
         crystal_lattice_planes_material_analyzer = self.get_analyzer(configuration)
-        if configuration.termination_top is None:
-            raise ValueError("termination_top is required for AtomicLayersUniqueRepeatedBuilder")
-        translation_vector = (
-            crystal_lattice_planes_material_analyzer.get_translation_vector_for_termination_without_vacuum(
-                configuration.termination_top
+
+        if configuration.termination_top is not None:
+            termination = configuration.termination_top
+            should_rotate = False
+        elif configuration.termination_bottom is not None:
+            termination = configuration.termination_bottom
+            should_rotate = True
+        else:
+            raise ValueError(
+                "Either termination_top or termination_bottom is required for AtomicLayersUniqueRepeatedBuilder"
             )
+
+        translation_vector = (
+            crystal_lattice_planes_material_analyzer.get_translation_vector_for_termination_without_vacuum(termination)
         )
         material_translated = translate(crystal_lattice_planes_material, translation_vector)
         material_translated_wrapped = wrap_to_unit_cell(material_translated)
+
+        if should_rotate:
+            # Rotation of basis around [1,0,0] yielded the same material, probably due to the symmetry of unit cell.
+            # rotation around X and Z simultaneously gives the mirroring effect. (x,y,z) ⟶ (z,−y,x)
+            material_translated_wrapped = rotate(material_translated_wrapped, angle=180, axis=[1, 0, 1])
         material_translated_wrapped_layered = supercell(
             material_translated_wrapped, [[1, 0, 0], [0, 1, 0], [0, 0, configuration.number_of_repetitions]]
         )
@@ -35,9 +48,15 @@ class AtomicLayersUniqueRepeatedBuilder(CrystalLatticePlanesBuilder):
     ) -> MaterialWithBuildMetadata:
         material_analyzer = BaseMaterialAnalyzer(material=material)
         material.formula = material_analyzer.formula
-        termination = configuration.termination_top
         miller_indices_str = str(MillerIndices(root=configuration.miller_indices))
-        # for example: "Si(001), termination Si_P4/mmm_1"
-        new_name = f"{material.formula}{miller_indices_str}, termination {termination}"
+
+        if configuration.termination_top is not None:
+            termination_str = f"termination {configuration.termination_top}"
+        elif configuration.termination_bottom is not None:
+            termination_str = f"bottom termination {configuration.termination_bottom}"
+        else:
+            termination_str = ""
+
+        new_name = f"{material.formula}{miller_indices_str}, {termination_str}"
         material.name = new_name
         return material

package/src/py/mat3ra/made/tools/build_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated/configuration.py

@@ -9,5 +9,6 @@ from ..crystal_lattice_planes.configuration import CrystalLatticePlanesConfigura
 
 
 class AtomicLayersUniqueRepeatedConfiguration(CrystalLatticePlanesConfiguration, AtomicLayersUniqueRepeatedSchema):
-    termination_top: Optional[Termination]
+    termination_top: Optional[Termination] = None
+    termination_bottom: Optional[Termination] = None
     number_of_repetitions: int

package/src/py/mat3ra/made/tools/build_components/entities/reusable/two_dimensional/slab_stack/helpers.py

@@ -63,7 +63,10 @@ def recreate_slab_with_fractional_layers(
     slab_with_int_layers_without_vacuum = create_slab(
         crystal=slab_without_vacuum.atomic_layers.crystal,
         miller_indices=slab_without_vacuum.atomic_layers.miller_indices,
-        termination=slab_without_vacuum.atomic_layers.termination_top,
+        termination_top_formula=slab_without_vacuum.atomic_layers.termination_top.formula
+        if slab_without_vacuum.atomic_layers.termination_top
+        else None,
+        termination_bottom_formula=None,
         number_of_layers=ceiling_number_of_layers,
         vacuum=0,
         xy_supercell_matrix=build_parameters.xy_supercell_matrix,

package/tests/py/unit/fixtures/slab.py

@@ -560,3 +560,47 @@ SLAB_SrTiO3_011_TERMINATION_SrTiO = {
         "type": "TRI",
     },
 }
+
+
+SLAB_SrTiO3_011_TERMINATION_O2_BOTTOM = {
+    "name": "O3SrTi(011), bottom termination O2_Pmmm_2, Slab",
+    "basis": {
+        "elements": [
+            {"id": 0, "value": "Sr"},
+            {"id": 1, "value": "Ti"},
+            {"id": 2, "value": "O"},
+            {"id": 3, "value": "O"},
+            {"id": 4, "value": "O"},
+            {"id": 5, "value": "Sr"},
+            {"id": 6, "value": "Ti"},
+            {"id": 7, "value": "O"},
+            {"id": 8, "value": "O"},
+            {"id": 9, "value": "O"},
+        ],
+        "coordinates": [
+            {"id": 0, "value": [0.5, 0.749999, 0.152537778]},
+            {"id": 1, "value": [0, 0.249999, 0.152537778]},
+            {"id": 2, "value": [0.5, 0.249999, 0.152537778]},
+            {"id": 3, "value": [0, 0.999999, 6.1e-7]},
+            {"id": 4, "value": [0, 0.499999, 6.1e-7]},
+            {"id": 5, "value": [0.5, 0.249999, 0.457612114]},
+            {"id": 6, "value": [0, 0.749999, 0.457612114]},
+            {"id": 7, "value": [0.5, 0.749999, 0.457612114]},
+            {"id": 8, "value": [0, 0.499999, 0.305074946]},
+            {"id": 9, "value": [0, 0.999999, 0.305074946]},
+        ],
+        "units": "crystal",
+        "labels": [],
+        "constraints": [],
+    },
+    "lattice": {
+        "a": 3.912701,
+        "b": 5.53339482,
+        "c": 9.068928726,
+        "alpha": 90,
+        "beta": 90,
+        "gamma": 90,
+        "units": {"length": "angstrom", "angle": "degree"},
+        "type": "TRI",
+    },
+}

package/tests/py/unit/test_tools_analyze_interface.py

@@ -38,10 +38,20 @@ TEST_CASES = [(SUBSTRATE_SI_001, FILM_GE_001, EXPECTED_PROPERTIES_SI_GE_001)]
 @pytest.mark.parametrize("substrate, film, expected", TEST_CASES)
 def test_interface_analyzer(substrate, film, expected):
     substrate_slab_config = SlabConfiguration.from_parameters(
-        substrate.bulk_config, substrate.miller_indices, substrate.number_of_layers, vacuum=substrate.vacuum
+        substrate.bulk_config,
+        substrate.miller_indices,
+        substrate.number_of_layers,
+        vacuum=substrate.vacuum,
+        termination_top_formula=None,
+        termination_bottom_formula=None,
     )
     film_slab_config = SlabConfiguration.from_parameters(
-        film.bulk_config, film.miller_indices, film.number_of_layers, vacuum=film.vacuum
+        film.bulk_config,
+        film.miller_indices,
+        film.number_of_layers,
+        vacuum=film.vacuum,
+        termination_top_formula=None,
+        termination_bottom_formula=None,
     )
 
     interface_analyzer = InterfaceAnalyzer(
@@ -88,7 +98,12 @@ def test_commensurate_analyzer_functionality(
     material_config, analyzer_params, expected_matches_len, expected_angle_range
 ):
     slab_config = SlabConfiguration.from_parameters(
-        material_config, miller_indices=(0, 0, 1), number_of_layers=1, vacuum=0.0
+        material_config,
+        miller_indices=(0, 0, 1),
+        number_of_layers=1,
+        vacuum=0.0,
+        termination_top_formula=None,
+        termination_bottom_formula=None,
     )
 
     analyzer = CommensurateLatticeInterfaceAnalyzer(substrate_slab_configuration=slab_config, **analyzer_params)

package/tests/py/unit/test_tools_analyze_interface_zsl.py

@@ -67,7 +67,12 @@ EXPECTED_PROPERTIES_SI_GE_001: Final = SimpleNamespace(
 )
 def test_zsl_interface_analyzer(substrate, film, zsl_params, expected_matches_min):
     substrate_slab_config = SlabConfiguration.from_parameters(
-        substrate.bulk_config, substrate.miller_indices, substrate.number_of_layers, vacuum=0.0
+        substrate.bulk_config,
+        substrate.miller_indices,
+        substrate.number_of_layers,
+        vacuum=0.0,
+        termination_top_formula=None,
+        termination_bottom_formula=None,
     )
     film_slab_config = SlabConfiguration.from_parameters(
         film.bulk_config, film.miller_indices, film.number_of_layers, vacuum=0.0
@@ -150,7 +155,12 @@ def test_zsl_interface_analyzer_sort_by_strain_then_area(
 
     analyzer = ZSLInterfaceAnalyzer(
         substrate_slab_configuration=SlabConfiguration.from_parameters(
-            substrate.bulk_config, substrate.miller_indices, substrate.number_of_layers, vacuum=0.0
+            substrate.bulk_config,
+            substrate.miller_indices,
+            substrate.number_of_layers,
+            vacuum=0.0,
+            termination_top_formula=None,
+            termination_bottom_formula=None,
         ),
         film_slab_configuration=SlabConfiguration.from_parameters(
             film.bulk_config, film.miller_indices, film.number_of_layers, vacuum=0.0

package/tests/py/unit/test_tools_build_defect/test_adatom.py

@@ -47,6 +47,8 @@ def test_create_adatom(
         crystal=Material.create(crystal_config),
         number_of_layers=2,
         xy_supercell_matrix=[[2, 0], [0, 2]],
+        termination_top_formula=None,
+        termination_bottom_formula=None,
     )
     defect = create_defect_adatom(slab, position_on_surface, distance_z, adatom_placement_method, chemical_element)
 

package/tests/py/unit/test_tools_build_defect/test_island.py

@@ -25,6 +25,8 @@ def test_create_island_defect(slab_parameters, condition_class, condition_params
         Material.create(slab_parameters["crystal"]),
         number_of_layers=slab_parameters["number_of_layers"],
         xy_supercell_matrix=slab_parameters["xy_supercell_matrix"],
+        termination_top_formula=None,
+        termination_bottom_formula=None,
     )
     condition = condition_class(
         center_position=condition_params["center_position"],

package/tests/py/unit/test_tools_build_defect/test_terrace.py

@@ -30,6 +30,8 @@ def test_create_terrace(
         Material.create(slab_parameters["crystal"]),
         number_of_layers=slab_parameters["number_of_layers"],
         xy_supercell_matrix=slab_parameters["xy_supercell_matrix"],
+        termination_top_formula=None,
+        termination_bottom_formula=None,
     )
     terrace = create_defect_terrace(
         slab=slab,

package/tests/py/unit/test_tools_build_interface.py

@@ -82,10 +82,16 @@ PRECISION = 1e-3
 def test_simple_interface_builder(substrate, film, expected_interface):
     builder = InterfaceBuilder(build_parameters=InterfaceBuilderParameters(make_primitive=False))
     substrate_slab_config = SlabConfiguration.from_parameters(
-        substrate.bulk_config, substrate.miller_indices, substrate.number_of_layers, vacuum=substrate.vacuum
+        substrate.bulk_config,
+        substrate.miller_indices,
+        substrate.number_of_layers,
+        vacuum=substrate.vacuum,
     )
     film_slab_config = SlabConfiguration.from_parameters(
-        film.bulk_config, film.miller_indices, film.number_of_layers, vacuum=film.vacuum
+        film.bulk_config,
+        film.miller_indices,
+        film.number_of_layers,
+        vacuum=film.vacuum,
     )
 
     analyzer = InterfaceAnalyzer(
@@ -111,14 +117,12 @@ def test_create_simple_interface_between_slabs(substrate, film, expected_interfa
         miller_indices=substrate.miller_indices,
         number_of_layers=substrate.number_of_layers,
         vacuum=0,
-        termination_formula=None,
     )
     film_slab_config = SlabConfiguration.from_parameters(
         material_or_dict=film.bulk_config,
         miller_indices=film.miller_indices,
         number_of_layers=film.number_of_layers,
         vacuum=0,
-        termination_formula=None,
     )
 
     substrate_slab = SlabBuilder().get_material(substrate_slab_config)

package/tests/py/unit/test_tools_build_interface_zsl.py

@@ -129,7 +129,7 @@ def test_create_zsl_interface_between_slabs(substrate, film, gap, vacuum, max_ar
         miller_indices=substrate.miller_indices,
         number_of_layers=substrate.number_of_layers,
         vacuum=0.0,
-        termination_formula=None,
+        termination_top_formula=None,
         use_conventional_cell=True,
     )
     film_slab_config = SlabConfiguration.from_parameters(
@@ -137,7 +137,7 @@ def test_create_zsl_interface_between_slabs(substrate, film, gap, vacuum, max_ar
         miller_indices=film.miller_indices,
         number_of_layers=film.number_of_layers,
         vacuum=0.0,
-        termination_formula=None,
+        termination_bottom_formula=None,
         use_conventional_cell=True,
     )
 

package/tests/py/unit/test_tools_build_slab.py

@@ -17,7 +17,7 @@ from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab import (
     SlabBuilderParameters,
     SlabConfiguration,
 )
-from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.helpers import create_slab, get_slab_terminations
+from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.helpers import create_slab
 from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.termination_utils import select_slab_termination
 from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab_strained_supercell.builder import (
     SlabStrainedSupercellBuilder,
@@ -39,6 +39,7 @@ from unit.fixtures.slab import (
     SI_PRIMITIVE_SLAB_001,
     SLAB_SI_CONVENTIONAL_001_NO_VACUUM,
     SLAB_SrTiO3_011_TERMINATION_O2,
+    SLAB_SrTiO3_011_TERMINATION_O2_BOTTOM,
     SLAB_SrTiO3_011_TERMINATION_SrTiO,
 )
 
@@ -79,6 +80,7 @@ PARAMS_BUILD_SLAB_CONVENTIONAL_SrTiO_SrTiO: Final = (
     BULK_SrTiO3,
     (0, 1, 1),
     "SrTiO",
+    None,
     2,
     5.0,
     [[1, 0], [0, 1]],
@@ -88,6 +90,18 @@ PARAMS_BUILD_SLAB_CONVENTIONAL_SrTiO_O2: Final = (
     BULK_SrTiO3,
     (0, 1, 1),
     "O2",
+    None,
+    2,
+    5.0,
+    [[1, 0], [0, 1]],
+)
+
+
+PARAMS_BUILD_SLAB_CONVENTIONAL_SrTiO_O2_BOTTOM: Final = (
+    BULK_SrTiO3,
+    (0, 1, 1),
+    None,
+    "O2",
     2,
     5.0,
     [[1, 0], [0, 1]],
@@ -97,6 +111,7 @@ PARAMS_CREATE_SLAB: Final = (
     BULK_Si_CONVENTIONAL,
     (0, 0, 1),
     "Si",
+    None,
     2,
     5,
     [[1, 0], [0, 1]],
@@ -107,7 +122,8 @@ PARAMS_CREATE_SLAB: Final = (
 def get_slab_with_builder(
     material: Material,
     miller_indices: Tuple[int, int, int],
-    termination_formula: str,
+    termination_top_formula: str,
+    termination_bottom_formula: str,
     number_of_layers: int,
     vacuum: float,
     xy_supercell_matrix: list,
@@ -116,12 +132,20 @@ def get_slab_with_builder(
         material=material, miller_indices=miller_indices
     )
     terminations = crystal_lattice_planes_analyzer.terminations
-    termination = select_slab_termination(terminations, termination_formula)
+    termination_top = (
+        select_slab_termination(terminations, termination_top_formula) if termination_top_formula is not None else None
+    )
+    termination_bottom = (
+        select_slab_termination(terminations, termination_bottom_formula)
+        if termination_bottom_formula is not None
+        else None
+    )
 
     atomic_layers_repeated_configuration = AtomicLayersUniqueRepeatedConfiguration(
         crystal=material,
         miller_indices=miller_indices,
-        termination_top=termination,
+        termination_top=termination_top,
+        termination_bottom=termination_bottom,
         number_of_repetitions=number_of_layers,
     )
     atomic_layers_repeated_orthogonal_c = AtomicLayersUniqueRepeatedBuilder().get_material(
@@ -159,7 +183,7 @@ def test_build_slab_primitive(
 ):
     material = MaterialWithBuildMetadata.create(material_config)
     slab = get_slab_with_builder(
-        material, miller_indices, termination_formula, number_of_layers, vacuum, xy_supercell_matrix
+        material, miller_indices, termination_formula, None, number_of_layers, vacuum, xy_supercell_matrix
     )
     slab.metadata.build = []  # Remove build metadata for comparison
     expected_slab_config.get("metadata", {}).pop("build", None)  # Remove build metadata for comparison
@@ -198,6 +222,7 @@ def test_build_slab_conventional(
         conventional_material,
         miller_indices,
         termination_formula,
+        None,
         number_of_layers,
         vacuum,
         xy_supercell_matrix,
@@ -207,7 +232,7 @@ def test_build_slab_conventional(
 
 
 @pytest.mark.parametrize(
-    "material_config, miller_indices, termination_formula, number_of_layers,"
+    "material_config, miller_indices, termination_top_formula,termination_bottom_formula, number_of_layers,"
     + " vacuum, xy_supercell_matrix, expected_slab_config",
     [
         (
@@ -218,12 +243,17 @@ def test_build_slab_conventional(
             *PARAMS_BUILD_SLAB_CONVENTIONAL_SrTiO_O2,
             SLAB_SrTiO3_011_TERMINATION_O2,
         ),
+        (
+            *PARAMS_BUILD_SLAB_CONVENTIONAL_SrTiO_O2_BOTTOM,
+            SLAB_SrTiO3_011_TERMINATION_O2_BOTTOM,
+        ),
     ],
 )
 def test_build_slab_conventional_with_multiple_terminations(
     material_config,
     miller_indices,
-    termination_formula,
+    termination_top_formula,
+    termination_bottom_formula,
     number_of_layers,
     vacuum,
     xy_supercell_matrix,
@@ -236,7 +266,8 @@ def test_build_slab_conventional_with_multiple_terminations(
     slab = get_slab_with_builder(
         conventional_material,
         miller_indices,
-        termination_formula,
+        termination_top_formula,
+        termination_bottom_formula,
         number_of_layers,
         vacuum,
         xy_supercell_matrix,
@@ -248,7 +279,7 @@ def test_build_slab_conventional_with_multiple_terminations(
 
 
 @pytest.mark.parametrize(
-    "material_config, miller_indices, termination_formula, number_of_layers,"
+    "material_config, miller_indices, termination_top_formula, termination_bottom_formula, number_of_layers,"
     + " vacuum, xy_supercell, use_conventional_cell, expected_slab_config",
     [
         (
@@ -260,7 +291,8 @@ def test_build_slab_conventional_with_multiple_terminations(
 def test_create_slab(
     material_config,
     miller_indices,
-    termination_formula,
+    termination_top_formula,
+    termination_bottom_formula,
     number_of_layers,
     vacuum,
     xy_supercell,
@@ -268,13 +300,12 @@ def test_create_slab(
     expected_slab_config,
 ):
     crystal = Material.create(material_config)
-    terminations = get_slab_terminations(material=crystal, miller_indices=miller_indices)
-    termination = select_slab_termination(terminations, termination_formula)
     slab = create_slab(
         crystal=crystal,
         miller_indices=miller_indices,
         use_conventional_cell=use_conventional_cell,
-        termination=termination,
+        termination_top_formula=termination_top_formula,
+        termination_bottom_formula=termination_bottom_formula,
         number_of_layers=number_of_layers,
         vacuum=vacuum,
         xy_supercell_matrix=xy_supercell,
@@ -326,7 +357,7 @@ def test_build_slab_strained(
     config = SlabStrainedSupercellConfiguration.from_parameters(
         material_or_dict=material,
         miller_indices=miller_indices,
-        termination_formula=termination_formula,
+        termination_top_formula=termination_formula,
         number_of_layers=number_of_layers,
         vacuum=vacuum,
     )