raw/materials_project/materials_project-part-172.jsonl

{"cif": "# generated using pymatgen\ndata_Al2Cu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.78547458\n_cell_length_b   4.86949270\n_cell_length_c   4.86949425\n_cell_angle_alpha   76.02802962\n_cell_angle_beta   60.56914009\n_cell_angle_gamma   60.56914686\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Al2Cu\n_chemical_formula_sum   'Al4 Cu2'\n_cell_volume   86.07526115\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.15860591  0.50000000  0.18278617  1.0\n  Al  Al1  1  0.34139409  0.81721383  0.50000000  1.0\n  Al  Al2  1  0.65860591  0.18278617  0.50000000  1.0\n  Al  Al3  1  0.84139409  0.50000000  0.81721383  1.0\n  Cu  Cu4  1  0.25000000  0.00000000  0.00000000  1.0\n  Cu  Cu5  1  0.75000000  0.00000000  0.00000000  1.0\n", "composition": {"Al": 4.0, "Cu": 2.0}, "description": "", "elements": ["Al", "Cu"], "formula": "Al2Cu", "identifiers": {"materials_project_id": "mp-998"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.533902332251913, "energy_above_hull": 0.04758887666666567, "formation_energy_per_atom": -0.16506810666666638, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 1e-07, "volume": 86.07526115209427}, "record_id": "mp-998", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.78547458100593, "alpha": 76.0280296187687, "b": 4.869492704093759, "beta": 60.56914009045967, "c": 4.869494250394228, "gamma": 60.569146860240124, "matrix": [[4.16088163, 0.0, 2.36385935], [2.08044032, 4.24108145, 1.18192868], [-0.01450734, 0.0, 4.86947264]], "pbc": [true, true, true], "volume": 86.07526115209426}, "properties": {}, "sites": [{"abc": [0.15860591, 0.5, 0.18278617], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.6975088362129456, 2.120540725, 1.855958657104147]}, {"abc": [0.34139409, 0.81721383, 0.5], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.113411329665193, 3.465870415096454, 4.207632395050886]}, {"abc": [0.65860591, 0.18278617, 0.5], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.113403280334808, 0.7752110349035466, 4.207628274949114]}, {"abc": [0.84139409, 0.5, 0.81721383], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.529305773787055, 2.120540725, 6.559302012895852]}, {"abc": [0.25, 0.0, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.0402204075, 0.0, 0.5909648375]}, {"abc": [0.75, 0.0, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.1206612225000003, 0.0, 1.7728945124999997]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-I 4 2c", "number": 140, "point_group": "4/mmm", "symbol": "I4/mcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Al2Cu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.10518200\n_cell_length_b   4.10518200\n_cell_length_c   2.89131300\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Al2Cu\n_chemical_formula_sum   'Al2 Cu1'\n_cell_volume   48.72590800\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.50000000  0.00000000  0.50000000  1.0\n  Al  Al1  1  0.00000000  0.50000000  0.50000000  1.0\n  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Al": 2.0, "Cu": 1.0}, "description": "", "elements": ["Al", "Cu"], "formula": "Al2Cu", "identifiers": {"materials_project_id": "mp-12794"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.004613185373759, "energy_above_hull": 0.15449800333333386, "formation_energy_per_atom": -0.05815897999999938, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0008928, "volume": 48.72590799930771}, "record_id": "mp-12794", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.105182, "alpha": 90.0, "b": 4.105182, "beta": 90.0, "c": 2.891313, "gamma": 90.0, "matrix": [[4.105182, 0.0, 0.0], [0.0, 4.105182, 0.0], [0.0, 0.0, 2.891313]], "pbc": [true, true, true], "volume": 48.72590799930771}, "properties": {}, "sites": [{"abc": [0.5, 0.0, 0.5], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.052591, 0.0, 1.4456565]}, {"abc": [0.0, 0.5, 0.5], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 2.052591, 1.4456565]}, {"abc": [0.0, 0.0, 0.0], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4 2", "number": 123, "point_group": "4/mmm", "symbol": "P4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Al2Cu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.06067500\n_cell_length_b   4.04639121\n_cell_length_c   4.06067500\n_cell_angle_alpha   120.11684878\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.11684878\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Al2Cu\n_chemical_formula_sum   'Al2 Cu1'\n_cell_volume   47.01192120\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.00000000  0.00000000  0.00000000  1.0\n  Al  Al1  1  0.50000000  0.00000000  0.50000000  1.0\n  Cu  Cu2  1  0.25000000  0.50000000  0.75000000  1.0\n", "composition": {"Al": 2.0, "Cu": 1.0}, "description": "", "elements": ["Al", "Cu"], "formula": "Al2Cu", "identifiers": {"materials_project_id": "mp-985806"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.150615602329666, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.21265698333333324, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 47.011921203643695}, "record_id": "mp-985806", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.060675, "alpha": 120.11684878459329, "b": 4.046391205175792, "beta": 90.0, "c": 4.060675, "gamma": 120.11684878459329, "matrix": [[0.0, 4.060675, 0.0], [2.851094, -2.030338, 2.030338], [0.0, 0.0, -4.060675]], "pbc": [true, true, true], "volume": 47.011921203643695}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 2.0303375, -2.0303375]}, {"abc": [0.25, 0.5, 0.75], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.425547, -2.500000000349445e-07, -2.0303372499999996]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "m-3m", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Al3Cu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.77840543\n_cell_length_b   2.77840543\n_cell_length_c   7.51340341\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Al3Cu\n_chemical_formula_sum   'Al3 Cu1'\n_cell_volume   57.99999359\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  -0.00000000  -0.00000000  0.50000000  1.0\n  Al  Al1  1  0.50000000  0.50000000  0.77388449  1.0\n  Al  Al2  1  0.50000000  0.50000000  0.22611551  1.0\n  Cu  Cu3  1  -0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"Al": 3.0, "Cu": 1.0}, "description": "", "elements": ["Al", "Cu"], "formula": "Al3Cu", "identifiers": {"materials_project_id": "mp-985825"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.1367644679538484, "energy_above_hull": 0.05647424749999974, "formation_energy_per_atom": -0.1030184899999993, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 1e-07, "volume": 57.99999359085728}, "record_id": "mp-985825", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.7784054293798315, "alpha": 90.0, "b": 2.7784054293798315, "beta": 90.0, "c": 7.51340341, "gamma": 90.0, "matrix": [[-1.96462932, -1.96462932, 0.0], [-1.96462932, 1.96462932, 0.0], [0.0, -0.0, -7.51340341]], "pbc": [true, true, true], "volume": 57.99999359085728}, "properties": {}, "sites": [{"abc": [-0.0, -0.0, 0.5], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, -3.756701705]}, {"abc": [0.5, 0.5, 0.77388449], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.96462932, 0.0, -5.814506366112111]}, {"abc": [0.5, 0.5, 0.22611551], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.96462932, 0.0, -1.698897043887889]}, {"abc": [-0.0, -0.0, -0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4 2", "number": 123, "point_group": "4/mmm", "symbol": "P4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Al3Cu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.92415100\n_cell_length_b   3.92415100\n_cell_length_c   3.92415100\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Al3Cu\n_chemical_formula_sum   'Al3 Cu1'\n_cell_volume   60.42784848\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.00000000  0.50000000  0.50000000  1.0\n  Al  Al1  1  0.50000000  0.00000000  0.50000000  1.0\n  Al  Al2  1  0.50000000  0.50000000  0.00000000  1.0\n  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Al": 3.0, "Cu": 1.0}, "description": "", "elements": ["Al", "Cu"], "formula": "Al3Cu", "identifiers": {"materials_project_id": "mp-1183161"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.9705585858809256, "energy_above_hull": 0.0962458349999995, "formation_energy_per_atom": -0.06324690249999954, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 2.21e-05, "volume": 60.42784848494482}, "record_id": "mp-1183161", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.924151, "alpha": 90.0, "b": 3.924151, "beta": 90.0, "c": 3.924151, "gamma": 90.0, "matrix": [[3.924151, 0.0, 0.0], [0.0, 3.924151, 0.0], [0.0, 0.0, 3.924151]], "pbc": [true, true, true], "volume": 60.42784848494482}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.5], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 1.9620755, 1.9620755]}, {"abc": [0.5, 0.0, 0.5], "label": "Al", "properties": {"magmom": -0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.9620755, 0.0, 1.9620755]}, {"abc": [0.5, 0.5, 0.0], "label": "Al", "properties": {"magmom": -0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.9620755, 1.9620755, 0.0]}, {"abc": [0.0, 0.0, 0.0], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 4 2 3", "number": 221, "point_group": "m-3m", "symbol": "Pm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Al3Cu2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.09195191\n_cell_length_b   4.09195136\n_cell_length_c   4.99277870\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999641\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Al3Cu2\n_chemical_formula_sum   'Al3 Cu2'\n_cell_volume   72.39923018\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.00000000  -0.00000000  -0.00000000  1.0\n  Al  Al1  1  0.33333300  0.66666700  0.34992535  1.0\n  Al  Al2  1  0.66666700  0.33333300  0.65007465  1.0\n  Cu  Cu3  1  0.33333300  0.66666700  0.83951213  1.0\n  Cu  Cu4  1  0.66666700  0.33333300  0.16048787  1.0\n", "composition": {"Al": 3.0, "Cu": 2.0}, "description": "", "elements": ["Al", "Cu"], "formula": "Al3Cu2", "identifiers": {"materials_project_id": "mp-10886"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.77150002045573, "energy_above_hull": 0.029272975999999673, "formation_energy_per_atom": -0.19531484999999976, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 72.39923018355245}, "record_id": "mp-10886", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.09195191, "alpha": 90.0, "b": 4.091951363613636, "beta": 90.0, "c": 4.9927787, "gamma": 119.9999964137842, "matrix": [[4.09195191, -0.0, 0.0], [-2.04597546, 3.54373396, -0.0], [0.0, -0.0, 4.9927787]], "pbc": [true, true, true], "volume": 72.39923018355245}, "properties": {}, "sites": [{"abc": [0.0, -0.0, -0.0], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.333333, 0.666667, 0.34992535], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.7159757903506545e-06, 2.36249048791132, 1.747099834070045]}, {"abc": [0.666667, 0.333333, 0.65007465], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.04597816597579, 1.18124347208868, 3.2456788659299547]}, {"abc": [0.333333, 0.666667, 0.83951213], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [-1.7159757903506545e-06, 2.36249048791132, 4.1914982810556305]}, {"abc": [0.666667, 0.333333, 0.16048787], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.04597816597579, 1.18124347208868, 0.801280418944369]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-P 3 2\"", "number": 164, "point_group": "-3m", "symbol": "P-3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Al4Cu15\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.60877000\n_cell_length_b   3.60877000\n_cell_length_c   18.45622400\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Al4Cu15\n_chemical_formula_sum   'Al4 Cu15'\n_cell_volume   240.35948237\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.00000000  0.00000000  0.19104800  1.0\n  Al  Al1  1  0.00000000  0.00000000  0.39665300  1.0\n  Al  Al2  1  0.00000000  0.00000000  0.60334700  1.0\n  Al  Al3  1  0.00000000  0.00000000  0.80895200  1.0\n  Cu  Cu4  1  0.50000000  0.50000000  0.00000000  1.0\n  Cu  Cu5  1  0.50000000  0.50000000  0.18961600  1.0\n  Cu  Cu6  1  0.50000000  0.50000000  0.39659900  1.0\n  Cu  Cu7  1  0.50000000  0.50000000  0.60340100  1.0\n  Cu  Cu8  1  0.50000000  0.50000000  0.81038400  1.0\n  Cu  Cu9  1  0.50000000  0.00000000  0.09000100  1.0\n  Cu  Cu10  1  0.50000000  0.00000000  0.29270000  1.0\n  Cu  Cu11  1  0.50000000  0.00000000  0.50000000  1.0\n  Cu  Cu12  1  0.50000000  0.00000000  0.70730000  1.0\n  Cu  Cu13  1  0.50000000  0.00000000  0.90999900  1.0\n  Cu  Cu14  1  0.00000000  0.50000000  0.09000100  1.0\n  Cu  Cu15  1  0.00000000  0.50000000  0.29270000  1.0\n  Cu  Cu16  1  0.00000000  0.50000000  0.50000000  1.0\n  Cu  Cu17  1  0.00000000  0.50000000  0.70730000  1.0\n  Cu  Cu18  1  0.00000000  0.50000000  0.90999900  1.0\n", "composition": {"Al": 4.0, "Cu": 15.0}, "description": "", "elements": ["Al", "Cu"], "formula": "Al4Cu15", "identifiers": {"materials_project_id": "mp-1228752"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.330789755700993, "energy_above_hull": 0.06176557578947239, "formation_energy_per_atom": -0.10831318631579136, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0101005, "volume": 240.35948236996686}, "record_id": "mp-1228752", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.60877, "alpha": 90.0, "b": 3.60877, "beta": 90.0, "c": 18.456224, "gamma": 90.0, "matrix": [[3.60877, 0.0, 0.0], [0.0, 3.60877, 0.0], [0.0, 0.0, 18.456224]], "pbc": [true, true, true], "volume": 240.35948236996686}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.191048], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 3.526024682752]}, {"abc": [0.0, 0.0, 0.396653], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 7.320716618271999]}, {"abc": [0.0, 0.0, 0.603347], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 11.135507381727999]}, {"abc": [0.0, 0.0, 0.808952], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 14.930199317247999]}, {"abc": [0.5, 0.5, 0.0], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 1.804385, 0.0]}, {"abc": [0.5, 0.5, 0.189616], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 1.804385, 3.499595369984]}, {"abc": [0.5, 0.5, 0.396599], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 1.804385, 7.319719982175999]}, {"abc": [0.5, 0.5, 0.603401], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 1.804385, 11.136504017823999]}, {"abc": [0.5, 0.5, 0.810384], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 1.804385, 14.956628630015999]}, {"abc": [0.5, 0.0, 0.090001], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 0.0, 1.6610786162239999]}, {"abc": [0.5, 0.0, 0.2927], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 0.0, 5.4021367648]}, {"abc": [0.5, 0.0, 0.5], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 0.0, 9.228112]}, {"abc": [0.5, 0.0, 0.7073], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 0.0, 13.0540872352]}, {"abc": [0.5, 0.0, 0.909999], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.804385, 0.0, 16.795145383776]}, {"abc": [0.0, 0.5, 0.090001], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 1.804385, 1.6610786162239999]}, {"abc": [0.0, 0.5, 0.2927], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 1.804385, 5.4021367648]}, {"abc": [0.0, 0.5, 0.5], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 1.804385, 9.228112]}, {"abc": [0.0, 0.5, 0.7073], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 1.804385, 13.0540872352]}, {"abc": [0.0, 0.5, 0.909999], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 1.804385, 16.795145383776]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4 2", "number": 123, "point_group": "4/mmm", "symbol": "P4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Al4Cu9\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.61773054\n_cell_length_b   8.61773054\n_cell_length_c   8.61773054\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Al4Cu9\n_chemical_formula_sum   'Al16 Cu36'\n_cell_volume   639.99816859\n_cell_formula_units_Z   4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.12036725  0.12036725  0.12036725  1.0\n  Al  Al1  1  0.87963275  0.12036725  0.87963275  1.0\n  Al  Al2  1  0.87963275  0.87963275  0.12036725  1.0\n  Al  Al3  1  0.12036725  0.87963275  0.87963275  1.0\n  Al  Al4  1  0.80952822  0.46505948  0.19047178  1.0\n  Al  Al5  1  0.46505948  0.80952822  0.19047178  1.0\n  Al  Al6  1  0.80952822  0.53494052  0.80952822  1.0\n  Al  Al7  1  0.53494052  0.80952822  0.80952822  1.0\n  Al  Al8  1  0.19047178  0.80952822  0.46505948  1.0\n  Al  Al9  1  0.80952822  0.19047178  0.46505948  1.0\n  Al  Al10  1  0.53494052  0.19047178  0.19047178  1.0\n  Al  Al11  1  0.46505948  0.19047178  0.80952822  1.0\n  Al  Al12  1  0.19047178  0.46505948  0.80952822  1.0\n  Al  Al13  1  0.19047178  0.53494052  0.19047178  1.0\n  Al  Al14  1  0.80952822  0.80952822  0.53494052  1.0\n  Al  Al15  1  0.19047178  0.19047178  0.53494052  1.0\n  Cu  Cu16  1  0.32640760  0.67359240  0.67359240  1.0\n  Cu  Cu17  1  0.64475556  0.00000000  0.00000000  1.0\n  Cu  Cu18  1  -0.00000000  0.00000000  0.35524444  1.0\n  Cu  Cu19  1  -0.00000000  0.00000000  0.64475556  1.0\n  Cu  Cu20  1  -0.00000000  0.64475556  0.00000000  1.0\n  Cu  Cu21  1  -0.00000000  0.35524444  0.00000000  1.0\n  Cu  Cu22  1  0.85448207  0.50000000  0.50000000  1.0\n  Cu  Cu23  1  0.14551793  0.50000000  0.50000000  1.0\n  Cu  Cu24  1  0.50000000  0.50000000  0.85448207  1.0\n  Cu  Cu25  1  0.50000000  0.50000000  0.14551793  1.0\n  Cu  Cu26  1  0.35524444  0.00000000  0.00000000  1.0\n  Cu  Cu27  1  0.50000000  0.85448207  0.50000000  1.0\n  Cu  Cu28  1  0.31587422  0.31587422  0.03190828  1.0\n  Cu  Cu29  1  0.68412578  0.03190828  0.68412578  1.0\n  Cu  Cu30  1  0.68412578  0.96809172  0.31587422  1.0\n  Cu  Cu31  1  0.96809172  0.68412578  0.31587422  1.0\n  Cu  Cu32  1  0.03190828  0.68412578  0.68412578  1.0\n  Cu  Cu33  1  0.31587422  0.68412578  0.96809172  1.0\n  Cu  Cu34  1  0.68412578  0.31587422  0.96809172  1.0\n  Cu  Cu35  1  0.03190828  0.31587422  0.31587422  1.0\n  Cu  Cu36  1  0.31587422  0.03190828  0.31587422  1.0\n  Cu  Cu37  1  0.96809172  0.31587422  0.68412578  1.0\n  Cu  Cu38  1  0.31587422  0.96809172  0.68412578  1.0\n  Cu  Cu39  1  0.68412578  0.68412578  0.03190828  1.0\n  Cu  Cu40  1  0.67359240  0.67359240  0.32640760  1.0\n  Cu  Cu41  1  0.67359240  0.32640760  0.67359240  1.0\n  Cu  Cu42  1  0.32640760  0.32640760  0.32640760  1.0\n  Cu  Cu43  1  0.82993162  0.17006838  0.17006838  1.0\n  Cu  Cu44  1  0.17006838  0.17006838  0.82993162  1.0\n  Cu  Cu45  1  0.17006838  0.82993162  0.17006838  1.0\n  Cu  Cu46  1  0.82993162  0.82993162  0.82993162  1.0\n  Cu  Cu47  1  0.60503207  0.39496793  0.39496793  1.0\n  Cu  Cu48  1  0.39496793  0.39496793  0.60503207  1.0\n  Cu  Cu49  1  0.39496793  0.60503207  0.39496793  1.0\n  Cu  Cu50  1  0.60503207  0.60503207  0.60503207  1.0\n  Cu  Cu51  1  0.50000000  0.14551793  0.50000000  1.0\n", "composition": {"Al": 16.0, "Cu": 36.0}, "description": "", "elements": ["Al", "Cu"], "formula": "Al4Cu9", "identifiers": {"materials_project_id": "mp-593"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.055652296583131, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.2331023019230772, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 1e-07, "volume": 639.9981685880424}, "record_id": "mp-593", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.61773054, "alpha": 90.0, "b": 8.61773054, "beta": 90.0, "c": 8.61773054, "gamma": 90.0, "matrix": [[8.61773054, -0.0, -0.0], [-0.0, 8.61773054, -0.0], [-0.0, -0.0, 8.61773054]], "pbc": [true, true, true], "volume": 639.9981685880424}, "properties": {}, "sites": [{"abc": [0.12036725, 0.12036725, 0.12036725], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.037292526340815, 1.037292526340815, 1.037292526340815]}, {"abc": [0.87963275, 0.12036725, 0.87963275], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [7.580438013659185, 1.037292526340815, 7.580438013659185]}, {"abc": [0.87963275, 0.87963275, 0.12036725], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [7.580438013659185, 7.580438013659185, 1.037292526340815]}, {"abc": [0.12036725, 0.87963275, 0.87963275], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.037292526340815, 7.580438013659185, 7.580438013659185]}, {"abc": [0.80952822, 0.46505948, 0.19047178], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [6.976296064485839, 4.007757283712519, 1.6414344755141612]}, {"abc": [0.46505948, 0.80952822, 0.19047178], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.007757283712519, 6.976296064485839, 1.6414344755141612]}, {"abc": [0.80952822, 0.53494052, 0.80952822], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [6.976296064485839, 4.609973256287481, 6.976296064485839]}, {"abc": [0.53494052, 0.80952822, 0.80952822], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.609973256287481, 6.976296064485839, 6.976296064485839]}, {"abc": [0.19047178, 0.80952822, 0.46505948], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.6414344755141612, 6.976296064485839, 4.007757283712519]}, {"abc": [0.80952822, 0.19047178, 0.46505948], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [6.976296064485839, 1.6414344755141612, 4.007757283712519]}, {"abc": [0.53494052, 0.19047178, 0.19047178], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.609973256287481, 1.6414344755141612, 1.6414344755141612]}, {"abc": [0.46505948, 0.19047178, 0.80952822], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.007757283712519, 1.6414344755141612, 6.976296064485839]}, {"abc": [0.19047178, 0.46505948, 0.80952822], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.6414344755141612, 4.007757283712519, 6.976296064485839]}, {"abc": [0.19047178, 0.53494052, 0.19047178], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.6414344755141612, 4.609973256287481, 1.6414344755141612]}, {"abc": [0.80952822, 0.80952822, 0.53494052], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [6.976296064485839, 6.976296064485839, 4.609973256287481]}, {"abc": [0.19047178, 0.19047178, 0.53494052], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.6414344755141612, 1.6414344755141612, 4.609973256287481]}, {"abc": [0.3264076, 0.6735924, 0.6735924], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.812892743008104, 5.804837796991896, 5.804837796991896]}, {"abc": [0.64475556, 0.0, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.556329680246803, 0.0, 0.0]}, {"abc": [-0.0, 0.0, 0.35524444], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 3.0614008597531974]}, {"abc": [-0.0, 0.0, 0.64475556], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 5.556329680246803]}, {"abc": [-0.0, 0.64475556, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 5.556329680246803, 0.0]}, {"abc": [-0.0, 0.35524444, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 3.0614008597531974, 0.0]}, {"abc": [0.85448207, 0.5, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [7.363696230521418, 4.30886527, 4.30886527]}, {"abc": [0.14551793, 0.5, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.2540343094785822, 4.30886527, 4.30886527]}, {"abc": [0.5, 0.5, 0.85448207], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [4.30886527, 4.30886527, 7.363696230521418]}, {"abc": [0.5, 0.5, 0.14551793], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [4.30886527, 4.30886527, 1.2540343094785822]}, {"abc": [0.35524444, 0.0, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.0614008597531974, 0.0, 0.0]}, {"abc": [0.5, 0.85448207, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [4.30886527, 7.363696230521418, 4.30886527]}, {"abc": [0.31587422, 0.31587422, 0.03190828], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.722118912492679, 2.722118912492679, 0.2749769590348712]}, {"abc": [0.68412578, 0.03190828, 0.68412578], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.895611627507321, 0.2749769590348712, 5.895611627507321]}, {"abc": [0.68412578, 0.96809172, 0.31587422], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.895611627507321, 8.342753580965129, 2.722118912492679]}, {"abc": [0.96809172, 0.68412578, 0.31587422], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [8.342753580965129, 5.895611627507321, 2.722118912492679]}, {"abc": [0.03190828, 0.68412578, 0.68412578], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.2749769590348712, 5.895611627507321, 5.895611627507321]}, {"abc": [0.31587422, 0.68412578, 0.96809172], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.722118912492679, 5.895611627507321, 8.342753580965129]}, {"abc": [0.68412578, 0.31587422, 0.96809172], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.895611627507321, 2.722118912492679, 8.342753580965129]}, {"abc": [0.03190828, 0.31587422, 0.31587422], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.2749769590348712, 2.722118912492679, 2.722118912492679]}, {"abc": [0.31587422, 0.03190828, 0.31587422], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.722118912492679, 0.2749769590348712, 2.722118912492679]}, {"abc": [0.96809172, 0.31587422, 0.68412578], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [8.342753580965129, 2.722118912492679, 5.895611627507321]}, {"abc": [0.31587422, 0.96809172, 0.68412578], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.722118912492679, 8.342753580965129, 5.895611627507321]}, {"abc": [0.68412578, 0.68412578, 0.03190828], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.895611627507321, 5.895611627507321, 0.2749769590348712]}, {"abc": [0.6735924, 0.6735924, 0.3264076], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.804837796991896, 5.804837796991896, 2.812892743008104]}, {"abc": [0.6735924, 0.3264076, 0.6735924], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.804837796991896, 2.812892743008104, 5.804837796991896]}, {"abc": [0.3264076, 0.3264076, 0.3264076], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.812892743008104, 2.812892743008104, 2.812892743008104]}, {"abc": [0.82993162, 0.17006838, 0.17006838], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [7.152127067785675, 1.4656034722143252, 1.4656034722143252]}, {"abc": [0.17006838, 0.17006838, 0.82993162], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.4656034722143252, 1.4656034722143252, 7.152127067785675]}, {"abc": [0.17006838, 0.82993162, 0.17006838], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.4656034722143252, 7.152127067785675, 1.4656034722143252]}, {"abc": [0.82993162, 0.82993162, 0.82993162], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [7.152127067785675, 7.152127067785675, 7.152127067785675]}, {"abc": [0.60503207, 0.39496793, 0.39496793], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.214003347318418, 3.4037271926815826, 3.4037271926815826]}, {"abc": [0.39496793, 0.39496793, 0.60503207], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.4037271926815826, 3.4037271926815826, 5.214003347318418]}, {"abc": [0.39496793, 0.60503207, 0.39496793], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.4037271926815826, 5.214003347318418, 3.4037271926815826]}, {"abc": [0.60503207, 0.60503207, 0.60503207], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.214003347318418, 5.214003347318418, 5.214003347318418]}, {"abc": [0.5, 0.14551793, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [4.30886527, 1.2540343094785822, 4.30886527]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "P -4 2 3", "number": 215, "point_group": "-43m", "symbol": "P-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_AlCu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.05572184\n_cell_length_b   6.31517560\n_cell_length_c   6.32456864\n_cell_angle_alpha   65.48687748\n_cell_angle_beta   71.36152755\n_cell_angle_gamma   71.43809003\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   AlCu\n_chemical_formula_sum   'Al5 Cu5'\n_cell_volume   136.37894604\n_cell_formula_units_Z   5\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.50000000  0.50000000  0.50000000  1.0\n  Al  Al1  1  0.84514971  0.46048356  0.84957741  1.0\n  Al  Al2  1  0.15485029  0.53951644  0.15042259  1.0\n  Al  Al3  1  0.62316791  0.99377092  0.76059171  1.0\n  Al  Al4  1  0.37683209  0.00622908  0.23940829  1.0\n  Cu  Cu5  1  0.00000000  0.00000000  -0.00000000  1.0\n  Cu  Cu6  1  0.73969721  0.24150696  0.27583163  1.0\n  Cu  Cu7  1  0.26030279  0.75849304  0.72416837  1.0\n  Cu  Cu8  1  0.89095358  0.77254544  0.44562536  1.0\n  Cu  Cu9  1  0.10904642  0.22745456  0.55437464  1.0\n", "composition": {"Al": 5.0, "Cu": 5.0}, "description": "", "elements": ["Al", "Cu"], "formula": "AlCu", "identifiers": {"materials_project_id": "mp-2500"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.511280114231174, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.24248409000000065, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 136.37894603678083}, "record_id": "mp-2500", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.055721839447059, "alpha": 65.48687748493099, "b": 6.315175601349659, "beta": 71.36152754934803, "c": 6.324568640216443, "gamma": 71.43809003412544, "matrix": [[3.84030118, -0.00552642, 1.30419935], [1.24431256, 5.61372996, 2.61135311], [-0.01316128, 0.01287063, 6.32454185]], "pbc": [true, true, true], "volume": 136.37894603678083}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.53572623, 2.810537085, 5.120047155]}, {"abc": [0.84514971, 0.46048356, 0.84957741], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.8074333797964868, 2.591294301099588, 7.677916763304168]}, {"abc": [0.15485029, 0.53951644, 0.15042259], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.2640190802035134, 3.029779868900412, 2.5621775466958314]}, {"abc": [0.62316791, 0.99377092, 0.76059171], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.6197037371689, 5.585106993860057, 8.218216066390484]}, {"abc": [0.37683209, 0.00622908, 0.23940829], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4517487228311, 0.035967176139941694, 2.0218782436095166]}, {"abc": [0.0, 0.0, -0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.73969721, 0.24150696, 0.27583163], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.1375399147458394, 1.3552171062972602, 3.3398812590501743]}, {"abc": [0.26030279, 0.75849304, 0.72416837], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.933912545254161, 4.265857063702739, 6.900213050949826]}, {"abc": [0.89095358, 0.77254544, 0.44562536], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [4.37695307862389, 4.3376731774329755, 5.997746256017808]}, {"abc": [0.10904642, 0.22745456, 0.55437464], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.69449938137611, 1.2834009925670242, 4.242348053982193]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_AlCu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.99750900\n_cell_length_b   2.99750900\n_cell_length_c   2.99750900\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   AlCu\n_chemical_formula_sum   'Al1 Cu1'\n_cell_volume   26.93279883\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.00000000  0.00000000  0.00000000  1.0\n  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Al": 1.0, "Cu": 1.0}, "description": "", "elements": ["Al", "Cu"], "formula": "AlCu", "identifiers": {"materials_project_id": "mp-1022721"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.581466508764784, "energy_above_hull": 0.07406123800000053, "formation_energy_per_atom": -0.16842285199999907, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0002755, "volume": 26.932798830272144}, "record_id": "mp-1022721", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.997509, "alpha": 90.0, "b": 2.997509, "beta": 90.0, "c": 2.997509, "gamma": 90.0, "matrix": [[2.997509, 0.0, 0.0], [0.0, 2.997509, 0.0], [0.0, 0.0, 2.997509]], "pbc": [true, true, true], "volume": 26.932798830272144}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Cu", "properties": {"magmom": 0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.4987545, 1.4987545, 1.4987545]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 4 2 3", "number": 221, "point_group": "m-3m", "symbol": "Pm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_AlCu3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.08426499\n_cell_length_b   4.08426454\n_cell_length_c   4.08426374\n_cell_angle_alpha   59.99999838\n_cell_angle_beta   60.00000203\n_cell_angle_gamma   59.99998831\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   AlCu3\n_chemical_formula_sum   'Al1 Cu3'\n_cell_volume   48.17553202\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.00000000  0.00000000  0.00000000  1.0\n  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0\n  Cu  Cu2  1  0.25000000  0.25000000  0.25000000  1.0\n  Cu  Cu3  1  0.75000000  0.75000000  0.75000000  1.0\n", "composition": {"Al": 1.0, "Cu": 3.0}, "description": "", "elements": ["Al", "Cu"], "formula": "AlCu3", "identifiers": {"materials_project_id": "mp-12777"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.501022424746639, "energy_above_hull": 0.0210512025000007, "formation_energy_per_atom": -0.18091732749999956, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 48.17553201993657}, "record_id": "mp-12777", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.084264990609529, "alpha": 59.999998380930016, "b": 4.084264540097846, "beta": 60.00000202976458, "c": 4.08426374, "gamma": 59.999988305299254, "matrix": [[3.53707731, 0.0, 2.04213237], [1.17902644, 3.33478768, 2.04213237], [0.0, 0.0, 4.08426374]], "pbc": [true, true, true], "volume": 48.17553201993657}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.358051875, 1.66739384, 4.0842642399999995]}, {"abc": [0.25, 0.25, 0.25], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.1790259375, 0.83369692, 2.0421321199999998]}, {"abc": [0.75, 0.75, 0.75], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.5370778124999998, 2.50109076, 6.126396359999999]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "m-3m", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_AlCu3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.17251440\n_cell_length_b   4.51171531\n_cell_length_c   5.10701746\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   AlCu3\n_chemical_formula_sum   'Al2 Cu6'\n_cell_volume   96.14061028\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.00000000  0.00539000  0.00000000  1.0\n  Al  Al1  1  0.50000000  0.32761000  0.50000000  1.0\n  Cu  Cu2  1  -0.00000000  0.00382505  0.50000000  1.0\n  Cu  Cu3  1  0.50000000  0.32917495  0.00000000  1.0\n  Cu  Cu4  1  0.00000000  0.50643532  0.25094031  1.0\n  Cu  Cu5  1  0.00000000  0.50643532  0.74905969  1.0\n  Cu  Cu6  1  0.50000000  0.82656468  0.24905969  1.0\n  Cu  Cu7  1  0.50000000  0.82656468  0.75094031  1.0\n", "composition": {"Al": 2.0, "Cu": 6.0}, "description": "", "elements": ["Al", "Cu"], "formula": "AlCu3", "identifiers": {"materials_project_id": "mp-12802"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.5174423163800865, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.20196853000000026, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 96.14061027598393}, "record_id": "mp-12802", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.1725144, "alpha": 90.0, "b": 4.51171531, "beta": 90.0, "c": 5.10701746, "gamma": 90.0, "matrix": [[4.1725144, 0.0, 0.0], [0.0, 4.51171531, 0.0], [0.0, 0.0, 5.10701746]], "pbc": [true, true, true], "volume": 96.14061027598393}, "properties": {}, "sites": [{"abc": [0.0, 0.00539, 0.0], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.024318145520899996, 0.0]}, {"abc": [0.5, 0.32761, 0.5], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.0862572, 1.4780830527091, 2.55350873]}, {"abc": [-0.0, 0.00382505, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.017257536646515498, 2.55350873]}, {"abc": [0.5, 0.32917495, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.0862572, 1.4851436615834845, 0.0]}, {"abc": [0.0, 0.50643532, 0.25094031], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 2.284891986768749, 1.2815565445878125]}, {"abc": [0.0, 0.50643532, 0.74905969], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 2.284891986768749, 3.825460915412187]}, {"abc": [0.5, 0.82656468, 0.24905969], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.0862572, 3.7292245214612505, 1.2719521854121874]}, {"abc": [0.5, 0.82656468, 0.75094031], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.0862572, 3.7292245214612505, 3.8350652745878127]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "P 2 2ab -1ab", "number": 59, "point_group": "mmm", "symbol": "Pmmn", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_AlCu3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.63737667\n_cell_length_b   3.63737667\n_cell_length_c   3.63737667\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   AlCu3\n_chemical_formula_sum   'Al1 Cu3'\n_cell_volume   48.12434491\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  -0.00000000  -0.00000000  -0.00000000  1.0\n  Cu  Cu1  1  0.50000000  0.50000000  -0.00000000  1.0\n  Cu  Cu2  1  0.50000000  -0.00000000  0.50000000  1.0\n  Cu  Cu3  1  -0.00000000  0.50000000  0.50000000  1.0\n", "composition": {"Al": 1.0, "Cu": 3.0}, "description": "", "elements": ["Al", "Cu"], "formula": "AlCu3", "identifiers": {"materials_project_id": "mp-1008555"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.509000832401054, "energy_above_hull": 0.008516517500000376, "formation_energy_per_atom": -0.19345201249999988, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 3.1e-06, "volume": 48.12434491235697}, "record_id": "mp-1008555", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.63737667, "alpha": 90.0, "b": 3.63737667, "beta": 90.0, "c": 3.63737667, "gamma": 90.0, "matrix": [[3.63737667, 0.0, -0.0], [0.0, 3.63737667, -0.0], [0.0, 0.0, 3.63737667]], "pbc": [true, true, true], "volume": 48.12434491235697}, "properties": {}, "sites": [{"abc": [-0.0, -0.0, -0.0], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, -0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.818688335, 1.818688335, 0.0]}, {"abc": [0.5, -0.0, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.818688335, 0.0, 1.818688335]}, {"abc": [-0.0, 0.5, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 1.818688335, 1.818688335]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 4 2 3", "number": 221, "point_group": "m-3m", "symbol": "Pm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_AlCu3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.13791729\n_cell_length_b   5.13791729\n_cell_length_c   4.20614006\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999804\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   AlCu3\n_chemical_formula_sum   'Al2 Cu6'\n_cell_volume   96.15870093\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.33333300  0.66666700  0.75000000  1.0\n  Al  Al1  1  0.66666700  0.33333300  0.25000000  1.0\n  Cu  Cu2  1  0.16553236  0.33106571  0.25000000  1.0\n  Cu  Cu3  1  0.66893429  0.83446764  0.25000000  1.0\n  Cu  Cu4  1  0.16553236  0.83446764  0.25000000  1.0\n  Cu  Cu5  1  0.83446764  0.66893429  0.75000000  1.0\n  Cu  Cu6  1  0.33106571  0.16553236  0.75000000  1.0\n  Cu  Cu7  1  0.83446764  0.16553236  0.75000000  1.0\n", "composition": {"Al": 2.0, "Cu": 6.0}, "description": "", "elements": ["Al", "Cu"], "formula": "AlCu3", "identifiers": {"materials_project_id": "mp-1183216"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.516028035482242, "energy_above_hull": 0.0025298275000000814, "formation_energy_per_atom": -0.19943870250000018, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 96.1587009254571}, "record_id": "mp-1183216", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.137917287937104, "alpha": 90.0, "b": 5.137917287937104, "beta": 90.0, "c": 4.20614006, "gamma": 119.99999804193028, "matrix": [[2.56895872, -4.44956685, 0.0], [2.56895872, 4.44956685, 0.0], [0.0, 0.0, 4.20614006]], "pbc": [true, true, true], "volume": 96.1587009254571}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.75], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.56895872, 1.4831919163779002, 3.1546050450000003]}, {"abc": [0.666667, 0.333333, 0.25], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.56895872, -1.4831919163779002, 1.051535015]}, {"abc": [0.16553236, 0.33106571, 0.25], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.2757399422616704, 0.7365517067294476, 1.051535015]}, {"abc": [0.66893429, 0.83446764, 0.25], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.8621774977383296, 0.7365517067294469, 1.051535015]}, {"abc": [0.16553236, 0.83446764, 0.25], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.56895872, 2.9764722466834677, 1.051535015]}, {"abc": [0.83446764, 0.66893429, 0.75], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.8621774977383296, -0.7365517067294469, 3.1546050450000003]}, {"abc": [0.33106571, 0.16553236, 0.75], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.2757399422616704, -0.7365517067294476, 3.1546050450000003]}, {"abc": [0.83446764, 0.16553236, 0.75], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.56895872, -2.9764722466834677, 3.1546050450000003]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6c 2c", "number": 194, "point_group": "6/mmm", "symbol": "P6_3/mmc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_AlCu4\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.24356527\n_cell_length_b   6.24356527\n_cell_length_c   6.24356527\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   AlCu4\n_chemical_formula_sum   'Al4 Cu16'\n_cell_volume   243.38733117\n_cell_formula_units_Z   4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Al  Al0  1  0.44089041  0.94089041  0.55910959  1.0\n  Al  Al1  1  0.94089041  0.55910959  0.44089041  1.0\n  Al  Al2  1  0.55910959  0.44089041  0.94089041  1.0\n  Al  Al3  1  0.05910959  0.05910959  0.05910959  1.0\n  Cu  Cu4  1  0.80907878  0.30907878  0.19092122  1.0\n  Cu  Cu5  1  0.30907878  0.19092122  0.80907878  1.0\n  Cu  Cu6  1  0.19092122  0.80907878  0.30907878  1.0\n  Cu  Cu7  1  0.69092122  0.69092122  0.69092122  1.0\n  Cu  Cu8  1  0.04875566  0.87489095  0.69996473  1.0\n  Cu  Cu9  1  0.30003527  0.54875566  0.62510905  1.0\n  Cu  Cu10  1  0.37489095  0.80003527  0.95124434  1.0\n  Cu  Cu11  1  0.54875566  0.62510905  0.30003527  1.0\n  Cu  Cu12  1  0.80003527  0.95124434  0.37489095  1.0\n  Cu  Cu13  1  0.87489095  0.69996473  0.04875566  1.0\n  Cu  Cu14  1  0.95124434  0.37489095  0.80003527  1.0\n  Cu  Cu15  1  0.69996473  0.04875566  0.87489095  1.0\n  Cu  Cu16  1  0.62510905  0.30003527  0.54875566  1.0\n  Cu  Cu17  1  0.45124434  0.12510905  0.19996473  1.0\n  Cu  Cu18  1  0.19996473  0.45124434  0.12510905  1.0\n  Cu  Cu19  1  0.12510905  0.19996473  0.45124434  1.0\n", "composition": {"Al": 4.0, "Cu": 16.0}, "description": "", "elements": ["Al", "Cu"], "formula": "AlCu4", "identifiers": {"materials_project_id": "mp-1182885"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.673141563051586, "energy_above_hull": 0.03510869149999962, "formation_energy_per_atom": -0.12646613250000058, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 243.38733116950596}, "record_id": "mp-1182885", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.24356527, "alpha": 90.0, "b": 6.24356527, "beta": 90.0, "c": 6.24356527, "gamma": 90.0, "matrix": [[6.24356527, 0.0, -0.0], [-0.0, 6.24356527, -0.0], [0.0, -0.0, 6.24356527]], "pbc": [true, true, true], "volume": 243.38733116950596}, "properties": {}, "sites": [{"abc": [0.44089041, 0.94089041, 0.55910959], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.752728051752061, 5.8745106867520605, 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