raw/materials_project/materials_project-part-177.jsonl

{"cif": "# generated using pymatgen\ndata_Fe11Co5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.68315569\n_cell_length_b   5.68315465\n_cell_length_c   5.65602088\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   Fe11Co5\n_chemical_formula_sum   'Fe11 Co5'\n_cell_volume   182.67959158\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  Fe  Fe0  1  0.24861174  0.24861074  0.24912157  1.0\n  Fe  Fe1  1  0.24861174  0.75138926  0.75087843  1.0\n  Fe  Fe2  1  0.75138926  0.24861074  0.24912257  1.0\n  Fe  Fe3  1  0.75138826  0.24861074  0.75087743  1.0\n  Fe  Fe4  1  0.50000000  0.50000000  -0.00000000  1.0\n  Fe  Fe5  1  0.24861174  0.75138926  0.24912357  1.0\n  Fe  Fe6  1  0.24861174  0.24861074  0.75087643  1.0\n  Fe  Fe7  1  0.75138926  0.75138926  0.24912157  1.0\n  Fe  Fe8  1  0.50000000  0.50000000  0.50000000  1.0\n  Fe  Fe9  1  -0.00000000  -0.00000000  0.50000000  1.0\n  Fe  Fe10  1  0.75138826  0.75138926  0.75087743  1.0\n  Co  Co11  1  0.50000000  -0.00000000  -0.00000000  1.0\n  Co  Co12  1  -0.00000000  0.50000000  0.50000000  1.0\n  Co  Co13  1  -0.00000000  0.50000000  -0.00000000  1.0\n  Co  Co14  1  -0.00000000  -0.00000000  -0.00000000  1.0\n  Co  Co15  1  0.50000000  -0.00000000  0.50000000  1.0\n", "composition": {"Co": 5.0, "Fe": 11.0}, "description": "", "elements": ["Co", "Fe"], "formula": "Fe11Co5", "identifiers": {"materials_project_id": "mp-601848"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.262363617339767, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.04918325062500095, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 38.6373377, "volume": 182.6795915812145}, "record_id": "mp-601848", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.68315569, "alpha": 90.0, "b": 5.68315465, "beta": 90.0, "c": 5.65602088, "gamma": 90.0, "matrix": [[5.68315569, 0.0, 0.0], [-0.0, 5.68315465, 0.0], [-0.0, 0.0, 5.65602088]], "pbc": [true, true, true], "volume": 182.6795915812145}, "properties": {}, "sites": [{"abc": [0.24861174, 0.24861074, 0.24912157], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4128992247818006, 1.4128932830709409, 1.4090368015783814]}, {"abc": [0.24861174, 0.75138926, 0.75087843], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4128992247818006, 4.270261366929058, 4.246984078421618]}, {"abc": [0.75138926, 0.24861074, 0.24912257], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.27026214837389, 1.4128932830709409, 1.4090424575992615]}, {"abc": [0.75138826, 0.24861074, 0.75087743], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.2702564652182, 1.4128932830709409, 4.246978422400738]}, {"abc": [0.5, 0.5, -0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.841577845, 2.841577325, 0.0]}, {"abc": [0.24861174, 0.75138926, 0.24912357], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4128992247818006, 4.270261366929058, 1.4090481136201416]}, {"abc": [0.24861174, 0.24861074, 0.75087643], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4128992247818006, 1.4128932830709409, 4.246972766379859]}, {"abc": [0.75138926, 0.75138926, 0.24912157], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.27026214837389, 4.270261366929058, 1.4090368015783814]}, {"abc": [0.5, 0.5, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.841577845, 2.841577325, 2.82801044]}, {"abc": [-0.0, -0.0, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, 0.0, 2.82801044]}, {"abc": [0.75138826, 0.75138926, 0.75087743], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.2702564652182, 4.270261366929058, 4.246978422400738]}, {"abc": [0.5, -0.0, -0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.841577845, 0.0, 0.0]}, {"abc": [-0.0, 0.5, 0.5], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 2.841577325, 2.82801044]}, {"abc": [-0.0, 0.5, -0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 2.841577325, 0.0]}, {"abc": [-0.0, -0.0, -0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, -0.0, 0.5], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.841577845, 0.0, 2.82801044]}], "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_Fe13Co3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.69266389\n_cell_length_b   5.69266348\n_cell_length_c   5.69106878\n_cell_angle_alpha   89.99999638\n_cell_angle_beta   90.00000091\n_cell_angle_gamma   90.00000322\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Fe13Co3\n_chemical_formula_sum   'Fe13 Co3'\n_cell_volume   184.42716417\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  Fe  Fe0  1  0.00000003  0.50000011  0.49999987  1.0\n  Fe  Fe1  1  0.24829282  0.75170774  0.75230013  1.0\n  Fe  Fe2  1  0.75170745  0.24829225  0.24769976  1.0\n  Fe  Fe3  1  0.75170739  0.24829224  0.75230026  1.0\n  Fe  Fe4  1  0.75170743  0.75170774  0.75230043  1.0\n  Fe  Fe5  1  0.50000012  0.50000012  0.49999988  1.0\n  Fe  Fe6  1  0.24829278  0.75170804  0.24769985  1.0\n  Fe  Fe7  1  0.24829276  0.24829228  0.75229971  1.0\n  Fe  Fe8  1  0.24829284  0.24829238  0.24769958  1.0\n  Fe  Fe9  1  0.50000048  0.00000003  0.49999995  1.0\n  Fe  Fe10  1  0.00000007  0.50000003  -0.00000003  1.0\n  Fe  Fe11  1  0.75170736  0.75170777  0.24769990  1.0\n  Fe  Fe12  1  0.50000044  0.00000009  -0.00000014  1.0\n  Co  Co13  1  0.49999968  0.50000003  -0.00000002  1.0\n  Co  Co14  1  -0.00000097  0.00000005  0.49999996  1.0\n  Co  Co15  1  -0.00000066  0.00000010  -0.00000010  1.0\n", "composition": {"Co": 3.0, "Fe": 13.0}, "description": "", "elements": ["Co", "Fe"], "formula": "Fe13Co3", "identifiers": {"materials_project_id": "mp-641526"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.128461341178882, "energy_above_hull": 0.0037431268750012237, "formation_energy_per_atom": -0.027467104999999492, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 39.9137877, "volume": 184.42716416903207}, "record_id": "mp-641526", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.692663890000003, "alpha": 89.99999637614789, "b": 5.6926634800000055, "beta": 90.00000090594894, "c": 5.691068780000004, "gamma": 90.00000322075053, "matrix": [[5.69266389, -1.6e-07, -5e-08], [-1.6e-07, 5.69266348, 1.8e-07], [-4e-08, 1.8e-07, 5.69106878]], "pbc": [true, true, true], "volume": 184.42716416903207}, "properties": {}, "sites": [{"abc": [3e-08, 0.50000011, 0.49999987], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [7.07799043e-08, 2.846332456192955, 2.845533740161077]}, {"abc": [0.24829282, 0.75170774, 0.75230013], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4134474201950262, 4.279219294818507, 4.281391905925693]}, {"abc": [0.75170745, 0.24829225, 0.24769976], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.2792178068242315, 1.4134441482547946, 1.4096763780567254]}, {"abc": [0.75170739, 0.24829224, 0.75230026], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.279217445080378, 1.4134441821562598, 4.281392529979117]}, {"abc": [0.75170743, 0.75170774, 0.75230043], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.279217592240447, 4.279219214272223, 4.281393588075598]}, {"abc": [0.50000012, 0.50000012, 0.49999988], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.846332528119653, 2.8463324331195774, 2.845533772071762]}, {"abc": [0.24829278, 0.75170804, 0.24769985], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4134472126724338, 4.2792209117895075, 1.409677006038491]}, {"abc": [0.24829276, 0.24829228, 0.75229971], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4134471591816833, 1.4134444904090406, 4.281389425062026]}, {"abc": [0.24829284, 0.24829238, 0.24769958], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4134476347787839, 1.4134449688473525, 1.4096753788350989]}, {"abc": [0.50000048, 3e-08, 0.49999995], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.846334657478664, 1.807798186e-07, 2.8455340804465425]}, {"abc": [7e-08, 0.50000003, -3e-08], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [3.1848646870000003e-07, 2.846331910779888, -8.073206149999998e-08]}, {"abc": [0.75170736, 0.75170777, 0.2476999], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.279217213937992, 4.279219294224045, 1.4096772654211527]}, {"abc": [0.50000044, 9e-08, -1.4e-07], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.8463344497721033, 4.323396176000001e-07, -8.217496350000001e-07]}, {"abc": [0.49999968, 0.50000003, -2e-08], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.8463300433475514, 2.846331830779952, -4.882135419999999e-08]}, {"abc": [-9.7e-07, 5e-08, 0.49999996], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-5.5418839797000006e-06, 3.7463332200000005e-07, 2.8455341623573065]}, {"abc": [-6.6e-07, 1e-07, -1e-07], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-3.7571581794000005e-06, 5.692664356e-07, -5.69106827e-07]}], "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_Fe15Co\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.72597497\n_cell_length_b   5.72600537\n_cell_length_c   5.72605524\n_cell_angle_alpha   90.00002161\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Fe15Co\n_chemical_formula_sum   'Fe15 Co1'\n_cell_volume   187.73996373\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  Fe  Fe0  1  0.50000000  0.50000000  0.50000000  1.0\n  Fe  Fe1  1  0.50000000  -0.00000000  0.50000000  1.0\n  Fe  Fe2  1  0.50000000  0.50000000  -0.00000000  1.0\n  Fe  Fe3  1  -0.00000000  0.50000000  0.50000000  1.0\n  Fe  Fe4  1  0.50000000  -0.00000000  -0.00000000  1.0\n  Fe  Fe5  1  -0.00000000  -0.00000000  0.50000000  1.0\n  Fe  Fe6  1  -0.00000000  0.50000000  -0.00000000  1.0\n  Fe  Fe7  1  0.24772914  0.24771971  0.24771777  1.0\n  Fe  Fe8  1  0.24772914  0.75228029  0.24771877  1.0\n  Fe  Fe9  1  0.24772914  0.24771971  0.75228123  1.0\n  Fe  Fe10  1  0.75227086  0.24771971  0.24771877  1.0\n  Fe  Fe11  1  0.75227086  0.75228029  0.24771877  1.0\n  Fe  Fe12  1  0.24772914  0.75228029  0.75228123  1.0\n  Fe  Fe13  1  0.75227086  0.24771971  0.75228123  1.0\n  Fe  Fe14  1  0.75227086  0.75228029  0.75228223  1.0\n  Co  Co15  1  -0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"Co": 1.0, "Fe": 15.0}, "description": "", "elements": ["Co", "Fe"], "formula": "Fe15Co", "identifiers": {"materials_project_id": "mp-18695"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.930399621400886, "energy_above_hull": 0.0009856337500000478, "formation_energy_per_atom": -0.009417776874999007, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 42.0670742, "volume": 187.73996373316922}, "record_id": "mp-18695", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.72597497, "alpha": 90.0000216133826, "b": 5.7260053700001015, "beta": 90.0, "c": 5.726055240000102, "gamma": 90.0, "matrix": [[5.72597497, 0.0, 0.0], [-0.0, 5.72600537, -1.08e-06], [0.0, -1.08e-06, 5.72605524]], "pbc": [true, true, true], "volume": 187.73996373316922}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.862987485, 2.8630021450000003, 2.86302708]}, {"abc": [0.5, -0.0, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.862987485, -5.4e-07, 2.86302762]}, {"abc": [0.5, 0.5, -0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.862987485, 2.863002685, -5.4e-07]}, {"abc": [-0.0, 0.5, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, 2.8630021450000003, 2.86302708]}, {"abc": [0.5, -0.0, -0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.862987485, 0.0, 0.0]}, {"abc": [-0.0, -0.0, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, -5.4e-07, 2.86302762]}, {"abc": [-0.0, 0.5, -0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, 2.863002685, -5.4e-07]}, {"abc": [0.24772914, 0.24771971, 0.24771777], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4184908549796258, 1.4184441221796513, 1.418445367412328]}, {"abc": [0.24772914, 0.75228029, 0.24771877], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4184908549796258, 4.307560712748886, 1.4184505485421417]}, {"abc": [0.24772914, 0.24771971, 0.75228123], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4184908549796258, 1.4184435772511146, 4.307603611457859]}, {"abc": [0.75227086, 0.24771971, 0.24771877], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.307484115020374, 1.4184441221785713, 1.418451093467568]}, {"abc": [0.75227086, 0.75228029, 0.24771877], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.307484115020374, 4.307560712748886, 1.4184505485421417]}, {"abc": [0.24772914, 0.75228029, 0.75228123], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4184908549796258, 4.307560167821429, 4.307603066532432]}, {"abc": [0.75227086, 0.24771971, 0.75228123], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.307484115020374, 1.4184435772511146, 4.307603611457859]}, {"abc": [0.75227086, 0.75228029, 0.75228223], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.307484115020374, 4.307560167820349, 4.307608792587672]}, {"abc": [-0.0, -0.0, -0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "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_Fe3Co\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.82770517\n_cell_length_b   4.02355144\n_cell_length_c   4.02360745\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00005075\n_cell_angle_gamma   90.00003602\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Fe3Co\n_chemical_formula_sum   'Fe3 Co1'\n_cell_volume   45.77826064\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  Fe  Fe0  1  0.00000000  0.50000000  0.50000100  1.0\n  Fe  Fe1  1  0.50000100  0.50000000  0.99999900  1.0\n  Fe  Fe2  1  0.49999900  -0.00000000  0.50000000  1.0\n  Co  Co3  1  0.00000100  0.00000000  0.00000000  1.0\n", "composition": {"Co": 1.0, "Fe": 3.0}, "description": "", "elements": ["Co", "Fe"], "formula": "Fe3Co", "identifiers": {"materials_project_id": "mp-601820"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.214800658381758, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.04161364249999977, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 9.7767383, "volume": 45.778260642464964}, "record_id": "mp-601820", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.8277051700003866, "alpha": 89.99999999999231, "b": 4.023551440000137, "beta": 90.00005075200258, "c": 4.023607450000532, "gamma": 90.00003602488685, "matrix": [[2.82770517, -1.04e-06, -1.05e-06], [-1.05e-06, 4.02355144, 0.0], [-2.07e-06, 0.0, 4.02360745]], "pbc": [true, true, true], "volume": 45.778260642464964}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.500001], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [-1.56000207e-06, 2.01177572, 2.0118077486074504]}, {"abc": [0.500001, 0.5, 0.999999], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4138528177072403, 2.01177519999896, 4.0236029013915005]}, {"abc": [0.499999, -0.0, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4138487222948302, -5.1999896e-07, 2.01180320000105]}, {"abc": [1e-06, 0.0, 0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.82770517e-06, -1.04e-12, -1.0499999999999998e-12]}], "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_Fe5Co3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.79935344\n_cell_length_b   4.79935344\n_cell_length_c   4.79935344\n_cell_angle_alpha   109.47122063\n_cell_angle_beta   109.47122063\n_cell_angle_gamma   109.47122063\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Fe5Co3\n_chemical_formula_sum   'Fe5 Co3'\n_cell_volume   85.09936333\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  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1.0\n  Fe  Fe1  1  0.00000000  0.00000000  0.50000000  1.0\n  Fe  Fe2  1  0.00000000  0.50000000  0.00000000  1.0\n  Fe  Fe3  1  0.50000000  0.00000000  0.00000000  1.0\n  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1.0\n  Co  Co5  1  0.00000000  0.50000000  0.50000000  1.0\n  Co  Co6  1  0.50000000  0.50000000  0.00000000  1.0\n  Co  Co7  1  0.50000000  0.00000000  0.50000000  1.0\n", "composition": {"Co": 3.0, "Fe": 5.0}, "description": "", "elements": ["Co", "Fe"], "formula": "Fe5Co3", "identifiers": {"materials_project_id": "mp-1084832"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.898381964087266, "energy_above_hull": 0.05108323406250026, "formation_energy_per_atom": -0.0019012150000001782, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 17.8997504, "volume": 85.09936332657782}, "record_id": "mp-1084832", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.799353439099063, "alpha": 109.47122063449069, "b": 4.799353439099063, "beta": 109.47122063449069, "c": 4.799353439099063, "gamma": 109.47122063449069, "matrix": [[-2.770908, 2.770908, 2.770908], [2.770908, -2.770908, 2.770908], [2.770908, 2.770908, -2.770908]], "pbc": [true, true, true], "volume": 85.09936332657782}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.349}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.0, 0.0, 0.5], "label": "Fe", "properties": {"magmom": 2.619}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.385454, 1.385454, -1.385454]}, {"abc": [0.0, 0.5, 0.0], "label": "Fe", "properties": {"magmom": 2.62}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.385454, -1.385454, 1.385454]}, {"abc": [0.5, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.62}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [-1.385454, 1.385454, 1.385454]}, {"abc": [0.5, 0.5, 0.5], "label": "Fe", "properties": {"magmom": 2.619}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.385454, 1.385454, 1.385454]}, {"abc": [0.0, 0.5, 0.5], "label": "Co", "properties": {"magmom": 1.719}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.770908, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.0], "label": "Co", "properties": {"magmom": 1.719}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 2.770908]}, {"abc": [0.5, 0.0, 0.5], "label": "Co", "properties": {"magmom": 1.719}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 2.770908, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-I 4 2 3", "number": 229, "point_group": "m-3m", "symbol": "Im-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Fe7Co\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.92440698\n_cell_length_b   4.92435241\n_cell_length_c   4.92390186\n_cell_angle_alpha   109.46635240\n_cell_angle_beta   109.46657693\n_cell_angle_gamma   109.47291834\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Fe7Co\n_chemical_formula_sum   'Fe7 Co1'\n_cell_volume   91.92474537\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  Fe  Fe0  1  0.00000000  0.50000000  0.50000000  1.0\n  Fe  Fe1  1  0.50000000  0.50000000  -0.00000000  1.0\n  Fe  Fe2  1  0.50000000  -0.00000000  0.50000000  1.0\n  Fe  Fe3  1  -0.00000000  0.00000000  0.50000000  1.0\n  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1.0\n  Fe  Fe5  1  0.50000000  -0.00000000  -0.00000000  1.0\n  Fe  Fe6  1  0.50000000  0.50000000  0.50000000  1.0\n  Co  Co7  1  -0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Co": 1.0, "Fe": 7.0}, "description": "", "elements": ["Co", "Fe"], "formula": "Fe7Co", "identifiers": {"materials_project_id": "mp-1080603"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.12610902411402, "energy_above_hull": 0.000538421250000809, "formation_energy_per_atom": -0.020268399999999076, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 19.8978244, "volume": 91.92474536878193}, "record_id": "mp-1080603", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.92440697983056, "alpha": 109.46635240333708, "b": 4.924352414083672, "beta": 109.46657693095246, "c": 4.923901858345487, "gamma": 109.47291834186214, "matrix": [[-2.84292356, 2.84334352, 2.84305599], [2.84331202, -2.84290781, 2.84300873], [2.84292184, 2.84290609, -2.84262025]], "pbc": [true, true, true], "volume": 91.92474536878194}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.84311693, -8.599999998804009e-07, 0.0001942400000001232]}, {"abc": [0.5, 0.5, -0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.00019422999999996193, 0.00021785500000004454, 2.84303236]}, {"abc": [0.5, -0.0, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [-8.600000001024455e-07, 2.843124805, 0.00021786999999995338]}, {"abc": [-0.0, 0.0, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.42146092, 1.421453045, -1.421310125]}, {"abc": [0.0, 0.5, 0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.42165601, -1.421453905, 1.421504365]}, {"abc": [0.5, -0.0, -0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [-1.42146178, 1.42167176, 1.421527995]}, {"abc": [0.5, 0.5, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4216551499999999, 1.4216709, 1.421722235]}, {"abc": [-0.0, 0.0, 0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-I 4 2 3", "number": 229, "point_group": "m-3m", "symbol": "Im-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Fe9Co7\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.67309446\n_cell_length_b   5.67305930\n_cell_length_c   5.67310802\n_cell_angle_alpha   89.99999899\n_cell_angle_beta   90.00001040\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Fe9Co7\n_chemical_formula_sum   'Fe9 Co7'\n_cell_volume   182.58218119\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  Fe  Fe0  1  0.24958097  0.24957927  0.24957627  1.0\n  Fe  Fe1  1  0.75042466  0.24957873  0.24957573  1.0\n  Fe  Fe2  1  0.75042466  0.75042227  0.75042427  1.0\n  Fe  Fe3  1  0.24957857  0.75042257  0.24957443  1.0\n  Fe  Fe4  1  0.24957757  0.24957743  0.75042557  1.0\n  Fe  Fe5  1  0.24957997  0.75042173  0.75042273  1.0\n  Fe  Fe6  1  0.75042197  0.75041968  0.24957932  1.0\n  Fe  Fe7  1  0.75042297  0.24957932  0.75042168  1.0\n  Fe  Fe8  1  0.49999679  0.49999900  0.50000100  1.0\n  Co  Co9  1  0.49999992  0.00000000  -0.00000000  1.0\n  Co  Co10  1  0.99999712  0.50000000  0.50000000  1.0\n  Co  Co11  1  -0.00000030  0.00000000  0.50000000  1.0\n  Co  Co12  1  -0.00000130  0.50000000  0.00000000  1.0\n  Co  Co13  1  0.49999865  0.50000000  -0.00000000  1.0\n  Co  Co14  1  -0.00000087  0.00000000  0.00000000  1.0\n  Co  Co15  1  0.49999965  0.00000000  0.50000000  1.0\n", "composition": {"Co": 7.0, "Fe": 9.0}, "description": "", "elements": ["Co", "Fe"], "formula": "Fe9Co7", "identifiers": {"materials_project_id": "mp-601842"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.32294443031301, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.056785647499999925, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 38.4532628, "volume": 182.58218119015507}, "record_id": "mp-601842", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.673094460000091, "alpha": 89.99999899004172, "b": 5.6730593, "beta": 90.0000104025505, "c": 5.67310802, "gamma": 90.0000000000001, "matrix": [[5.67309446, -0.0, -1.02e-06], [0.0, 5.6730593, 5e-08], [-1e-08, 5e-08, 5.67310802]], "pbc": [true, true, true], "volume": 182.58218119015507}, "properties": {}, "sites": [{"abc": [0.24958097, 0.24957927, 0.24957627], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4158964157326634, 1.4158780112395246, 1.4158728968450596]}, {"abc": [0.75042466, 0.24957873, 0.24957573], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.257229978797626, 1.4158749477874755, 1.4158693225061378]}, {"abc": [0.75042466, 0.75042227, 0.75042427], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.257229973789141, 4.257190075271825, 4.257237216627606]}, {"abc": [0.24957857, 0.75042257, 0.24957443], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4158828003059778, 4.257191752147122, 1.4158624833709157]}, {"abc": [0.24957757, 0.24957743, 0.75042557], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.4158771222030064, 1.4158675978528776, 4.257245077489821]}, {"abc": [0.24957997, 0.75042173, 0.75042273], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.415890737629739, 4.257187011819726, 4.257228990902813]}, {"abc": [0.75042197, 0.75041968, 0.24957932], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.257214718173493, 4.25717535700599, 1.415889714008721]}, {"abc": [0.75042297, 0.24957932, 0.75042168], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [4.2572203862595295, 1.41587831993476, 4.25722249823741]}, {"abc": [0.49999679, 0.499999, 0.500001], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [2.836529014366773, 2.8365240019407505, 2.8365591981112446]}, {"abc": [0.49999992, 0.0, -0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.836546776152443, 0.0, -5.099999184e-07]}, {"abc": [0.99999712, 0.5, 0.5], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [5.673078116487955, 2.836529675, 2.8365530150029374]}, {"abc": [-3e-07, 0.0, 0.5], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-1.7069283379999998e-06, 2.5e-08, 2.836554010000306]}, {"abc": [-1.3e-06, 0.5, 0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-7.375022798e-06, 2.83652965, 2.5001325999999998e-08]}, {"abc": [0.49999865, 0.5, -0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.836539571322479, 2.83652965, -4.84998623e-07]}, {"abc": [-8.7e-07, 0.0, 0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-4.9355921801999995e-06, 0.0, 8.874e-13]}, {"abc": [0.49999965, 0.0, 0.5], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.836545239416939, 2.5e-08, 2.836553500000357]}], "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_FeCo\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.83902610\n_cell_length_b   2.83902610\n_cell_length_c   2.83902610\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   FeCo\n_chemical_formula_sum   'Fe1 Co1'\n_cell_volume   22.88274682\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  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1.0\n  Co  Co1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Co": 1.0, "Fe": 1.0}, "description": "", "elements": ["Co", "Fe"], "formula": "FeCo", "identifiers": {"materials_project_id": "mp-2090"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.32914328795613, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.05537412500000016, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 4.8366533, "volume": 22.88274681661618}, "record_id": "mp-2090", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.8390261, "alpha": 90.0, "b": 2.8390261, "beta": 90.0, "c": 2.8390261, "gamma": 90.0, "matrix": [[2.8390261, 0.0, 0.0], [0.0, 2.8390261, 0.0], [0.0, 0.0, 2.8390261]], "pbc": [true, true, true], "volume": 22.88274681661618}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.41951305, 1.41951305, 1.41951305]}], "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_FeCo\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.45685930\n_cell_length_b   2.45685930\n_cell_length_c   3.99452023\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   109.57075531\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   FeCo\n_chemical_formula_sum   'Fe1 Co1'\n_cell_volume   22.71859434\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  Fe  Fe0  1  0.50000000  0.50000000  0.50000000  1.0\n  Co  Co1  1  -0.00000000  0.00000000  -0.00000000  1.0\n", "composition": {"Co": 1.0, "Fe": 1.0}, "description": "", "elements": ["Co", "Fe"], "formula": "FeCo", "identifiers": {"materials_project_id": "mp-1225016"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.389325247655108, "energy_above_hull": 0.10305991500000111, "formation_energy_per_atom": 0.04768579000000095, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 4.6840705, "volume": 22.718594336402774}, "record_id": "mp-1225016", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.4568593017950318, "alpha": 90.0, "b": 2.4568593017950318, "beta": 90.0, "c": 3.99452023, "gamma": 109.57075530917659, "matrix": [[1.41672541, -2.00724855, 0.0], [1.41672541, 2.00724855, 0.0], [0.0, 0.0, 3.99452023]], "pbc": [true, true, true], "volume": 22.718594336402774}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [1.41672541, 0.0, 1.997260115]}, {"abc": [-0.0, 0.0, -0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2 2", "number": 65, "point_group": "mmm", "symbol": "Cmmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_FeCo3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.53473740\n_cell_length_b   3.53526822\n_cell_length_c   3.53710224\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   FeCo3\n_chemical_formula_sum   'Fe1 Co3'\n_cell_volume   44.20049546\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  Fe  Fe0  1  0.00000000  -0.00000000  -0.00000000  1.0\n  Co  Co1  1  0.50000000  0.50000000  0.00000000  1.0\n  Co  Co2  1  0.50000000  -0.00000000  0.50000000  1.0\n  Co  Co3  1  0.00000000  0.50000000  0.50000000  1.0\n", "composition": {"Co": 3.0, "Fe": 1.0}, "description": "", "elements": ["Co", "Fe"], "formula": "FeCo3", "identifiers": {"materials_project_id": "mp-1007852"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.740069959414202, "energy_above_hull": 0.056625132499999786, "formation_energy_per_atom": 0.028938069999999705, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 8.1292799, "volume": 44.20049546045879}, "record_id": "mp-1007852", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.5347374, "alpha": 90.0, "b": 3.53526822, "beta": 90.0, "c": 3.53710224, "gamma": 90.0, "matrix": [[3.5347374, 0.0, 0.0], [0.0, 3.53526822, 0.0], [0.0, 0.0, 3.53710224]], "pbc": [true, true, true], "volume": 44.20049546045879}, "properties": {}, "sites": [{"abc": [0.0, -0.0, -0.0], "label": "Fe", "properties": {}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.0], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.7673687, 1.76763411, 0.0]}, {"abc": [0.5, -0.0, 0.5], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.7673687, 0.0, 1.76855112]}, {"abc": [0.0, 0.5, 0.5], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 1.76763411, 1.76855112]}], "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_FeCo3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.46601000\n_cell_length_b   2.46601000\n_cell_length_c   7.06345900\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   FeCo3\n_chemical_formula_sum   'Fe1 Co3'\n_cell_volume   42.95434445\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  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1.0\n  Co  Co1  1  0.50000000  0.50000000  0.74540400  1.0\n  Co  Co2  1  0.00000000  0.00000000  0.50000000  1.0\n  Co  Co3  1  0.50000000  0.50000000  0.25459600  1.0\n", "composition": {"Co": 3.0, "Fe": 1.0}, "description": "", "elements": ["Co", "Fe"], "formula": "FeCo3", "identifiers": {"materials_project_id": "mp-1225083"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.993628642683197, "energy_above_hull": 0.08142938999999938, "formation_energy_per_atom": 0.0537423274999993, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 7.1199937, "volume": 42.95434444910822}, "record_id": "mp-1225083", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.46601, "alpha": 90.0, "b": 2.46601, "beta": 90.0, "c": 7.063459, "gamma": 90.0, "matrix": [[2.46601, 0.0, 0.0], [0.0, 2.46601, 0.0], [0.0, 0.0, 7.063459]], "pbc": [true, true, true], "volume": 42.95434444910822}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.417}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.745404], "label": "Co", "properties": {"magmom": 1.557}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.233005, 1.233005, 5.265130592436]}, {"abc": [0.0, 0.0, 0.5], "label": "Co", "properties": {"magmom": 1.638}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 3.5317295]}, {"abc": [0.5, 0.5, 0.254596], "label": "Co", "properties": {"magmom": 1.557}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.233005, 1.233005, 1.7983284075639998]}], "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_FeCo9\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.17924300\n_cell_length_b   5.17924300\n_cell_length_c   4.85901400\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   FeCo9\n_chemical_formula_sum   'Fe1 Co9'\n_cell_volume   130.34090312\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  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1.0\n  Co  Co1  1  0.00000000  0.00000000  0.50000000  1.0\n  Co  Co2  1  0.28094000  0.28094000  0.25015500  1.0\n  Co  Co3  1  0.28094000  0.71906000  0.74984500  1.0\n  Co  Co4  1  0.71906000  0.28094000  0.25015500  1.0\n  Co  Co5  1  0.71906000  0.28094000  0.74984500  1.0\n  Co  Co6  1  0.71906000  0.71906000  0.25015500  1.0\n  Co  Co7  1  0.28094000  0.71906000  0.25015500  1.0\n  Co  Co8  1  0.71906000  0.71906000  0.74984500  1.0\n  Co  Co9  1  0.28094000  0.28094000  0.74984500  1.0\n", "composition": {"Co": 9.0, "Fe": 1.0}, "description": "", "elements": ["Co", "Fe"], "formula": "FeCo9", "identifiers": {"materials_project_id": "mp-1096987"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.468727281756635, "energy_above_hull": 0.6378041349999997, "formation_energy_per_atom": 0.6267293099999989, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 17.8917961, "volume": 130.34090312357782}, "record_id": "mp-1096987", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.179243, "alpha": 90.0, "b": 5.179243, "beta": 90.0, "c": 4.859014, "gamma": 90.0, "matrix": [[5.179243, 0.0, 0.0], [0.0, 5.179243, 0.0], [0.0, 0.0, 4.859014]], "pbc": [true, true, true], "volume": 130.34090312357782}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.229}, "species": [{"element": "Fe", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.0, 0.0, 0.5], "label": "Co", "properties": {"magmom": 1.44}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 2.429507]}, {"abc": [0.28094, 0.28094, 0.250155], "label": "Co", "properties": {"magmom": 1.794}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.45505652842, 1.45505652842, 1.21550664717]}, {"abc": [0.28094, 0.71906, 0.749845], "label": "Co", "properties": {"magmom": 1.79}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.45505652842, 3.72418647158, 3.64350735283]}, {"abc": [0.71906, 0.28094, 0.250155], "label": "Co", "properties": {"magmom": 1.79}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.72418647158, 1.45505652842, 1.21550664717]}, {"abc": [0.71906, 0.28094, 0.749845], "label": "Co", "properties": {"magmom": 1.793}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.72418647158, 1.45505652842, 3.64350735283]}, {"abc": [0.71906, 0.71906, 0.250155], "label": "Co", "properties": {"magmom": 1.792}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.72418647158, 3.72418647158, 1.21550664717]}, {"abc": [0.28094, 0.71906, 0.250155], "label": "Co", "properties": {"magmom": 1.793}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.45505652842, 3.72418647158, 1.21550664717]}, {"abc": [0.71906, 0.71906, 0.749845], "label": "Co", "properties": {"magmom": 1.794}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.72418647158, 3.72418647158, 3.64350735283]}, {"abc": [0.28094, 0.28094, 0.749845], "label": "Co", "properties": {"magmom": 1.792}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.45505652842, 1.45505652842, 3.64350735283]}], "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"}}}