raw/materials_project/materials_project-part-162.jsonl

{"cif": "# generated using pymatgen\ndata_KF\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.75390751\n_cell_length_b   3.75390663\n_cell_length_c   3.75390707\n_cell_angle_alpha   60.00000498\n_cell_angle_beta   60.00001281\n_cell_angle_gamma   60.00002111\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KF\n_chemical_formula_sum   'K1 F1'\n_cell_volume   37.40551869\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  K  K0  1  -0.00000000  0.00000000  -0.00000000  1.0\n  F  F1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"F": 1.0, "K": 1.0}, "description": "", "elements": ["F", "K"], "formula": "KF", "identifiers": {"materials_project_id": "mp-463"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 5.949400000000001, "density": 2.57908054231024, "energy_above_hull": 0.0, "formation_energy_per_atom": -2.9238859911249993, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 37.40551869412881}, "record_id": "mp-463", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.753907513727353, "alpha": 60.000004979903174, "b": 3.7539066251222017, "beta": 60.00001281036106, "c": 3.75390707, "gamma": 60.00002111128908, "matrix": [[3.25097969, -0.0, 1.87695303], [1.08365856, 3.06505243, 1.87695303], [-0.0, -0.0, 3.75390707]], "pbc": [true, true, true], "volume": 37.40551869412881}, "properties": {}, "sites": [{"abc": [-0.0, 0.0, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "F", "properties": {}, "species": [{"element": "F", "occu": 1.0}], "xyz": [2.1673191249999997, 1.532526215, 3.753906565]}], "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_KF\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.25895500\n_cell_length_b   3.25895500\n_cell_length_c   3.25895500\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   KF\n_chemical_formula_sum   'K1 F1'\n_cell_volume   34.61266915\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  K  K0  1  0.00000000  0.00000000  0.00000000  1.0\n  F  F1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"F": 1.0, "K": 1.0}, "description": "", "elements": ["F", "K"], "formula": "KF", "identifiers": {"materials_project_id": "mp-8454"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 6.274699999999999, "density": 2.787183069095061, "energy_above_hull": 0.1030206800000002, "formation_energy_per_atom": -2.820865311124999, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 1.7e-06, "volume": 34.612669152863326}, "record_id": "mp-8454", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.258955, "alpha": 90.0, "b": 3.258955, "beta": 90.0, "c": 3.258955, "gamma": 90.0, "matrix": [[3.258955, 0.0, 0.0], [0.0, 3.258955, 0.0], [0.0, 0.0, 3.258955]], "pbc": [true, true, true], "volume": 34.612669152863326}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "F", "properties": {"magmom": -0.0}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.6294775, 1.6294775, 1.6294775]}], "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_KF2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.94757198\n_cell_length_b   4.94728542\n_cell_length_c   4.94090774\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00017950\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KF2\n_chemical_formula_sum   'K2 F4'\n_cell_volume   120.93884936\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  K  K0  1  0.99998521  0.00000316  0.00000000  1.0\n  K  K1  1  0.49998635  0.49999801  0.50000000  1.0\n  F  F2  1  0.36178345  0.36178425  -0.00000000  1.0\n  F  F3  1  0.63823031  0.63818453  -0.00000000  1.0\n  F  F4  1  0.86178323  0.13821585  0.50000000  1.0\n  F  F5  1  0.13823045  0.86181520  0.50000000  1.0\n", "composition": {"F": 4.0, "K": 2.0}, "description": "", "elements": ["F", "K"], "formula": "KF2", "identifiers": {"materials_project_id": "mp-976802"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.4455999999999998, "density": 2.117093669693331, "energy_above_hull": 0.0, "formation_energy_per_atom": -2.11697793575, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 1.9999994, "volume": 120.93884935973416}, "record_id": "mp-976802", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.94757198000607, "alpha": 90.0, "b": 4.947285420006071, "beta": 90.0, "c": 4.94090774, "gamma": 90.00017950427122, "matrix": [[4.94757198, -7.75e-06, 0.0], [-7.75e-06, 4.94728542, 0.0], [0.0, 0.0, 4.94090774]], "pbc": [true, true, true], "volume": 120.93884935973416}, "properties": {}, "sites": [{"abc": [0.99998521, 3.16e-06, 0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.947498805385926, 7.8835365497e-06, 0.0]}, {"abc": [0.49998635, 0.49999801, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.4737145806578957, 2.4736289900078017, 2.47045387]}, {"abc": [0.36178345, 0.36178425, -0.0], "label": "F", "properties": {}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.7899468562197935, 1.7898471413888974, 0.0]}, {"abc": [0.63823031, 0.63818453, -0.0], "label": "F", "properties": {}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.157685452612606, 3.15727607425365, 0.0]}, {"abc": [0.86178323, 0.13821585, 0.5], "label": "F", "properties": {}, "species": [{"element": "F", "occu": 1.0}], "xyz": [4.2637334904090585, 0.6837865806978746, 2.47045387]}, {"abc": [0.13823045, 0.8618152, 0.5], "label": "F", "properties": {}, "species": [{"element": "F", "occu": 1.0}], "xyz": [0.683898422134991, 4.2636447024083965, 2.47045387]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4n 2n", "number": 136, "point_group": "4/mmm", "symbol": "P4_2/mnm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KF3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.37124700\n_cell_length_b   7.59648500\n_cell_length_c   9.89794900\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   KF3\n_chemical_formula_sum   'K8 F24'\n_cell_volume   554.24126903\n_cell_formula_units_Z   8\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  K  K0  1  0.42841300  0.77306500  0.64748200  1.0\n  K  K1  1  0.92841300  0.72693500  0.35251800  1.0\n  K  K2  1  0.57158700  0.27306500  0.85251800  1.0\n  K  K3  1  0.07158700  0.22693500  0.14748200  1.0\n  K  K4  1  0.46789200  0.82579300  0.12942300  1.0\n  K  K5  1  0.96789200  0.67420700  0.87057700  1.0\n  K  K6  1  0.53210800  0.32579300  0.37057700  1.0\n  K  K7  1  0.03210800  0.17420700  0.62942300  1.0\n  F  F8  1  0.78930900  0.69315100  0.62430400  1.0\n  F  F9  1  0.28930900  0.80684900  0.37569600  1.0\n  F  F10  1  0.21069100  0.19315100  0.87569600  1.0\n  F  F11  1  0.71069100  0.30684900  0.12430400  1.0\n  F  F12  1  0.03916300  0.79670400  0.61053100  1.0\n  F  F13  1  0.53916300  0.70329600  0.38946900  1.0\n  F  F14  1  0.96083700  0.29670400  0.88946900  1.0\n  F  F15  1  0.46083700  0.20329600  0.11053100  1.0\n  F  F16  1  0.26844500  0.93821600  0.87161900  1.0\n  F  F17  1  0.76844500  0.56178400  0.12838100  1.0\n  F  F18  1  0.73155500  0.43821600  0.62838100  1.0\n  F  F19  1  0.23155500  0.06178400  0.37161900  1.0\n  F  F20  1  0.76623700  0.96684900  0.00968200  1.0\n  F  F21  1  0.26623700  0.53315100  0.99031700  1.0\n  F  F22  1  0.23376300  0.46684900  0.49031800  1.0\n  F  F23  1  0.73376300  0.03315100  0.50968300  1.0\n  F  F24  1  0.23461200  0.46325800  0.68941800  1.0\n  F  F25  1  0.73461200  0.03674200  0.31058200  1.0\n  F  F26  1  0.76538800  0.96325800  0.81058200  1.0\n  F  F27  1  0.26538800  0.53674200  0.18941800  1.0\n  F  F28  1  0.49306700  0.62125800  0.90535500  1.0\n  F  F29  1  0.99306700  0.87874200  0.09464500  1.0\n  F  F30  1  0.50693300  0.12125800  0.59464500  1.0\n  F  F31  1  0.00693300  0.37874200  0.40535500  1.0\n", "composition": {"F": 24.0, "K": 8.0}, "description": "", "elements": ["F", "K"], "formula": "KF3", "identifiers": {"materials_project_id": "mp-867934"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.09240192509025169, "density": 2.3032139376975054, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.6381287102500004, "is_stable": true, "ordering": "FM", "theoretical": false, "total_magnetization": 15.9974639, "volume": 554.2412690328064}, "record_id": "mp-867934", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.371247, "alpha": 90.0, "b": 7.596485, "beta": 90.0, "c": 9.897949, "gamma": 90.0, "matrix": [[7.371247, 0.0, 0.0], [0.0, 7.596485, 0.0], [0.0, 0.0, 9.897949]], "pbc": [true, true, true], "volume": 554.2412690328064}, "properties": {}, "sites": [{"abc": [0.428413, 0.773065, 0.647482], "label": "K", "properties": {"magmom": 0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.157938041011, 5.872576676525, 6.408743814418]}, {"abc": [0.928413, 0.726935, 0.352518], "label": "K", "properties": {"magmom": 0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.843561541011001, 5.522150823475, 3.489205185582]}, {"abc": [0.571587, 0.273065, 0.852518], "label": "K", "properties": {"magmom": 0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.213308958989, 2.0743341765250003, 8.438179685582]}, {"abc": [0.071587, 0.226935, 0.147482], "label": "K", "properties": {"magmom": 0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.527685458989, 1.7239083234750001, 1.4597693144180002]}, {"abc": [0.467892, 0.825793, 0.129423], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.448947501324, 6.273124137605, 1.2810222534270002]}, {"abc": [0.967892, 0.674207, 0.870577], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [7.134571001324, 5.121603362395001, 8.616926746573]}, {"abc": [0.532108, 0.325793, 0.370577], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.9222994986760003, 2.4748816376050002, 3.667952246573]}, {"abc": [0.032108, 0.174207, 0.629423], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.236675998676, 1.3233608623950002, 6.229996753427]}, {"abc": [0.789309, 0.693151, 0.624304], "label": "F", "properties": {"magmom": 0.716}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.818191598323001, 5.265511174235, 6.179329152496]}, {"abc": [0.289309, 0.806849, 0.375696], "label": "F", "properties": {"magmom": 0.716}, "species": [{"element": "F", "occu": 1.0}], "xyz": [2.132568098323, 6.129216325765, 3.7186198475039998]}, {"abc": [0.210691, 0.193151, 0.875696], "label": "F", "properties": {"magmom": 0.716}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.553055401677, 1.467268674235, 8.667594347504]}, {"abc": [0.710691, 0.306849, 0.124304], "label": "F", "properties": {"magmom": 0.716}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.238678901677, 2.330973825765, 1.230354652496]}, {"abc": [0.039163, 0.796704, 0.610531], "label": "F", "properties": {"magmom": 0.53}, "species": [{"element": "F", "occu": 1.0}], "xyz": [0.288680146261, 6.05214998544, 6.043004700919001]}, {"abc": [0.539163, 0.703296, 0.389469], "label": "F", "properties": {"magmom": 0.53}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.9743036462609997, 5.34257751456, 3.854944299081]}, {"abc": [0.960837, 0.296704, 0.889469], "label": "F", "properties": {"magmom": 0.53}, "species": [{"element": "F", "occu": 1.0}], "xyz": [7.082566853739, 2.25390748544, 8.803918799081]}, {"abc": [0.460837, 0.203296, 0.110531], "label": "F", "properties": {"magmom": 0.53}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.396943353739, 1.54433501456, 1.0940302009190002]}, {"abc": [0.268445, 0.938216, 0.871619], "label": "F", "properties": {"magmom": 0.553}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.978774400915, 7.127143770760001, 8.627240409431002]}, {"abc": [0.768445, 0.561784, 0.128381], "label": "F", "properties": {"magmom": 0.553}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.6643979009150005, 4.26758372924, 1.270708590569]}, {"abc": [0.731555, 0.438216, 0.628381], "label": "F", "properties": {"magmom": 0.553}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.392472599085, 3.3289012707600003, 6.219683090569]}, {"abc": [0.231555, 0.061784, 0.371619], "label": "F", "properties": {"magmom": 0.553}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.7068490990850003, 0.46934122924, 3.678265909431]}, {"abc": [0.766237, 0.966849, 0.009682], "label": "F", "properties": {"magmom": 0.73}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.648122187539, 7.344653925765, 0.095831942218]}, {"abc": [0.266237, 0.533151, 0.990317], "label": "F", "properties": {"magmom": 0.73}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.962498687539, 4.050073574235, 9.802107159833001]}, {"abc": [0.233763, 0.466849, 0.490318], "label": "F", "properties": {"magmom": 0.73}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.7231248124610001, 3.546411425765, 4.853142557782]}, {"abc": [0.733763, 0.033151, 0.509683], "label": "F", "properties": {"magmom": 0.73}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.408748312461, 0.251831074235, 5.044816340167]}, {"abc": [0.234612, 0.463258, 0.689418], "label": "F", "properties": {"magmom": 0.567}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.729383001164, 3.51913244813, 6.823824203682]}, {"abc": [0.734612, 0.036742, 0.310582], "label": "F", "properties": {"magmom": 0.567}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.415006501164001, 0.27911005187, 3.0741247963180003]}, {"abc": [0.765388, 0.963258, 0.810582], "label": "F", "properties": {"magmom": 0.567}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.6418639988359995, 7.31737494813, 8.023099296318001]}, {"abc": [0.265388, 0.536742, 0.189418], "label": "F", "properties": {"magmom": 0.567}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.9562404988360003, 4.077352551870001, 1.8748497036820002]}, {"abc": [0.493067, 0.621258, 0.905355], "label": "F", "properties": {"magmom": 0.54}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.634518644549, 4.71937707813, 8.961157616895001]}, {"abc": [0.993067, 0.878742, 0.094645], "label": "F", "properties": {"magmom": 0.54}, "species": [{"element": "F", "occu": 1.0}], "xyz": [7.320142144549001, 6.67535042187, 0.9367913831050001]}, {"abc": [0.506933, 0.121258, 0.594645], "label": "F", "properties": {"magmom": 0.54}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.736728355451, 0.9211345781300001, 5.885765883105]}, {"abc": [0.006933, 0.378742, 0.405355], "label": "F", "properties": {"magmom": 0.54}, "species": [{"element": "F", "occu": 1.0}], "xyz": [0.051104855451, 2.8771079218700004, 4.012183116895001]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "P 2ac 2ab", "number": 19, "point_group": "222", "symbol": "P2_12_12_1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KF3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.26090553\n_cell_length_b   7.37097815\n_cell_length_c   9.45218696\n_cell_angle_alpha   90.18057613\n_cell_angle_beta   89.99124989\n_cell_angle_gamma   90.00478391\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KF3\n_chemical_formula_sum   'K8 F24'\n_cell_volume   505.87829982\n_cell_formula_units_Z   8\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  K  K0  1  0.41671860  0.79791407  0.62928137  1.0\n  K  K1  1  0.91638063  0.70193010  0.37079363  1.0\n  K  K2  1  0.58389563  0.29790052  0.87145925  1.0\n  K  K3  1  0.08384819  0.20204275  0.12817276  1.0\n  K  K4  1  0.45160835  0.82621893  0.10765614  1.0\n  K  K5  1  0.95156922  0.67362728  0.89254676  1.0\n  K  K6  1  0.54794162  0.32580945  0.39346341  1.0\n  K  K7  1  0.04795791  0.17422338  0.60648517  1.0\n  F  F8  1  0.78176726  0.70991201  0.63620717  1.0\n  F  F9  1  0.28168028  0.79025131  0.36410296  1.0\n  F  F10  1  0.21832719  0.20972600  0.86224906  1.0\n  F  F11  1  0.71834554  0.29029014  0.13749677  1.0\n  F  F12  1  0.03449789  0.79480971  0.63111809  1.0\n  F  F13  1  0.53436372  0.70515538  0.36897548  1.0\n  F  F14  1  0.96540953  0.29368666  0.86912034  1.0\n  F  F15  1  0.46537904  0.20652821  0.13073627  1.0\n  F  F16  1  0.23361721  0.94699424  0.87017401  1.0\n  F  F17  1  0.73372074  0.55299569  0.12979046  1.0\n  F  F18  1  0.76678095  0.44699939  0.63135916  1.0\n  F  F19  1  0.26684252  0.05319545  0.36849991  1.0\n  F  F20  1  0.80848695  0.94198237  0.15191248  1.0\n  F  F21  1  0.30854924  0.55795208  0.84820746  1.0\n  F  F22  1  0.19167201  0.44144694  0.34848498  1.0\n  F  F23  1  0.69169772  0.05871872  0.65152463  1.0\n  F  F24  1  0.25717900  0.46528475  0.54789327  1.0\n  F  F25  1  0.75699615  0.03474793  0.45209607  1.0\n  F  F26  1  0.74267448  0.96475096  0.95262691  1.0\n  F  F27  1  0.24240343  0.53525348  0.04746858  1.0\n  F  F28  1  0.55151611  0.66306718  0.86778669  1.0\n  F  F29  1  0.05139123  0.83674043  0.13241632  1.0\n  F  F30  1  0.44835143  0.16287016  0.63245127  1.0\n  F  F31  1  0.94842722  0.33697232  0.36744316  1.0\n", "composition": {"F": 24.0, "K": 8.0}, "description": "", "elements": ["F", "K"], "formula": "KF3", "identifiers": {"materials_project_id": "mp-1544557"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.7319000000000004, "density": 2.5234057600913236, "energy_above_hull": 0.01249103906249971, "formation_energy_per_atom": -1.458083969375, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 16.0000003, "volume": 505.8782998249611}, "record_id": "mp-1544557", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.260905532292309, "alpha": 90.18057613171902, "b": 7.370978152651218, "beta": 89.99124988990289, "c": 9.452186963782998, "gamma": 90.00478391074037, "matrix": [[7.2609055, -0.00032961, 0.00060025], [-0.00027981, 7.37096775, -0.01238051], [0.00066149, -0.01391376, 9.4521767]], "pbc": [true, true, true], "volume": 505.8782998249611}, "properties": {}, "sites": [{"abc": [0.4167186, 0.79791407, 0.62928137], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.0259473736898146, 5.872505852668845, 5.938450255474954]}, {"abc": [0.91638063, 0.7019301, 0.37079363], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.653802025677492, 5.168442948057471, 3.4966667148452277]}, {"abc": [0.58389563, 0.29790052, 0.87145925], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.240104097327746, 2.183497392935346, 8.233849140834518]}, {"abc": [0.08384819, 0.20204275, 0.12817276], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.6088420353531799, 1.487439592148229, 1.209060513235937]}, {"abc": [0.45160835, 0.82621893, 0.10765614], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.27892558150217, 6.088386331146778, 1.0076269243069713]}, {"abc": [0.95156922, 0.67362728, 0.89254676], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.909656106235765, 4.9525526282621986, 8.428741018680485]}, {"abc": [0.54794162, 0.32580945, 0.39346341], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.9787214297057862, 2.395875786102348, 3.7153808911081327]}, {"abc": [0.04795791, 0.17422338, 0.60648517], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.3485702869186505, 1.2757406187703406, 5.730476805206694]}, {"abc": [0.78176726, 0.70991201, 0.63620717], "label": "F", "properties": {"magmom": 0.722}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.676560402055295, 5.22362881886745, 6.00522277170583]}, {"abc": [0.28168028, 0.79025131, 0.36410296], "label": "F", "properties": {"magmom": 0.722}, "species": [{"element": "F", "occu": 1.0}], "xyz": [2.0452736245414993, 5.819758034567434, 3.431950879255134]}, {"abc": [0.21832719, 0.209726, 0.86224906], "label": "F", "properties": {"magmom": 0.723}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.5857647803691843, 1.5338144930303386, 8.14766501058444]}, {"abc": [0.71834554, 0.29029014, 0.13749677], "label": "F", "properties": {"magmom": 0.724}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.215848808940783, 2.1375693891509906, 1.2964810126484725]}, {"abc": [0.03449789, 0.79480971, 0.63111809], "label": "F", "properties": {"magmom": 0.55}, "species": [{"element": "F", "occu": 1.0}], "xyz": [0.250681001839794, 5.849724143311411, 5.955620263042223]}, {"abc": [0.53436372, 0.70515538, 0.36897548], "label": "F", "properties": {"magmom": 0.549}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.880011237611847, 5.192367596818641, 3.479212003516603]}, {"abc": [0.96540953, 0.29368666, 0.86912034], "label": "F", "properties": {"magmom": 0.548}, "species": [{"element": "F", "occu": 1.0}], "xyz": [7.010240104078787, 2.1523439590081535, 8.212022523683464]}, {"abc": [0.46537904, 0.20652821, 0.13073627], "label": "F", "properties": {"magmom": 0.549}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.379101923197522, 1.5203403487057778, 1.2334647443384819]}, {"abc": [0.23361721, 0.94699424, 0.87017401], "label": "F", "properties": {"magmom": 0.581}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.6965831179312352, 6.968079607573794, 8.213454459339607]}, {"abc": [0.73372074, 0.55299569, 0.12979046], "label": "F", "properties": {"magmom": 0.581}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.327408077897437, 4.074065681875156, 1.2203964090984651]}, {"abc": [0.76678095, 0.44699939, 0.63135916], "label": "F", "properties": {"magmom": 0.581}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.567816580021658, 3.285780769464701, 5.962644521330922]}, {"abc": [0.26684252, 0.05319545, 0.36849991], "label": "F", "properties": {"magmom": 0.581}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.9377471954884613, 0.3868867731259587, 3.4826278486760476]}, {"abc": [0.80848695, 0.94198237, 0.15191248], "label": "F", "properties": {"magmom": 0.711}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.870184254432671, 6.940941511167253, 1.4247266760353448]}, {"abc": [0.30854924, 0.55795208, 0.84820746], "label": "F", "properties": {"magmom": 0.711}, "species": [{"element": "F", "occu": 1.0}], "xyz": [2.2407518339180306, 4.100743331781774, 8.010684265553532]}, {"abc": [0.19167201, 0.44144694, 0.34848498], "label": "F", "properties": {"magmom": 0.711}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.391819349666194, 3.2489792446896444, 3.288591321124829]}, {"abc": [0.69169772, 0.05871872, 0.65152463], "label": "F", "properties": {"magmom": 0.711}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.022766326427915, 0.423520643619882, 6.1580141510184045]}, {"abc": [0.257179, 0.46528475, 0.54789327], "label": "F", "properties": {"magmom": 0.603}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.8675846501777746, 3.4218908625822277, 5.173177909975337]}, {"abc": [0.75699615, 0.03474793, 0.45209607], "label": "F", "properties": {"magmom": 0.603}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.496766843224875, 0.24958600169333284, 4.273316128859763]}, {"abc": [0.74267448, 0.96475096, 0.95262691], "label": "F", "properties": {"magmom": 0.603}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.392849422750219, 7.097648797810907, 8.992899563943828]}, {"abc": [0.24240343, 0.53525348, 0.04746858], "label": "F", "properties": {"magmom": 0.603}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.7599500288206102, 3.9445957741310465, 0.4422001974552688]}, {"abc": [0.55151611, 0.66306718, 0.86778669], "label": "F", "properties": {"magmom": 0.56}, "species": [{"element": "F", "occu": 1.0}], "xyz": [4.004894855827538, 4.875190838902573, 8.194595069480489]}, {"abc": [0.05139123, 0.83674043, 0.13241632], "label": "F", "properties": {"magmom": 0.56}, "species": [{"element": "F", "occu": 1.0}], "xyz": [0.3730003282905635, 6.165727376691249, 1.2412940289285324]}, {"abc": [0.44835143, 0.16287016, 0.63245127], "label": "F", "properties": {"magmom": 0.56}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.2558101515109876, 1.1915631405000227, 5.976293865480685]}, {"abc": [0.94842722, 0.33697232, 0.36744316], "label": "F", "properties": {"magmom": 0.56}, "species": [{"element": "F", "occu": 1.0}], "xyz": [6.886589189798759, 2.4783869763248143, 3.469535079787694]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "P 2ac 2ab", "number": 19, "point_group": "222", "symbol": "P2_12_12_1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KF3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.24443647\n_cell_length_b   7.40352295\n_cell_length_c   9.44613204\n_cell_angle_alpha   87.31746052\n_cell_angle_beta   90.00434690\n_cell_angle_gamma   89.99549834\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KF3\n_chemical_formula_sum   'K8 F24'\n_cell_volume   506.08198338\n_cell_formula_units_Z   8\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  K  K0  1  0.41779113  0.80603190  0.61876321  1.0\n  K  K1  1  0.91781501  0.69396065  0.38138548  1.0\n  K  K2  1  0.58343971  0.30269707  0.86599915  1.0\n  K  K3  1  0.08350154  0.19722402  0.13396461  1.0\n  K  K4  1  0.45180407  0.82132183  0.09815378  1.0\n  K  K5  1  0.95189416  0.67875300  0.90194957  1.0\n  K  K6  1  0.54844283  0.32724156  0.38515460  1.0\n  K  K7  1  0.04844897  0.17293992  0.61467090  1.0\n  F  F8  1  0.78294923  0.71111329  0.64702751  1.0\n  F  F9  1  0.28293941  0.78864434  0.35298897  1.0\n  F  F10  1  0.21957819  0.21359439  0.86902095  1.0\n  F  F11  1  0.71958148  0.28652921  0.13093729  1.0\n  F  F12  1  0.03570841  0.79572531  0.63298049  1.0\n  F  F13  1  0.53574932  0.70416165  0.36725750  1.0\n  F  F14  1  0.96781490  0.30293591  0.87019564  1.0\n  F  F15  1  0.46788528  0.19701565  0.12976948  1.0\n  F  F16  1  0.22658474  0.95233924  0.86081871  1.0\n  F  F17  1  0.72629071  0.54780222  0.13927264  1.0\n  F  F18  1  0.76792778  0.45408978  0.61798313  1.0\n  F  F19  1  0.26824911  0.04560430  0.38199501  1.0\n  F  F20  1  0.80659871  0.93590412  0.15407542  1.0\n  F  F21  1  0.30684162  0.56437818  0.84602721  1.0\n  F  F22  1  0.19036806  0.44115455  0.34112373  1.0\n  F  F23  1  0.69048462  0.05872472  0.65870323  1.0\n  F  F24  1  0.25407702  0.46759438  0.53997832  1.0\n  F  F25  1  0.75428543  0.03240099  0.45980082  1.0\n  F  F26  1  0.74522115  0.96993673  0.95347340  1.0\n  F  F27  1  0.24526138  0.53003080  0.04654068  1.0\n  F  F28  1  0.55148176  0.66525452  0.86279014  1.0\n  F  F29  1  0.05113154  0.83481243  0.13736245  1.0\n  F  F30  1  0.45000991  0.16973732  0.63238262  1.0\n  F  F31  1  0.94984383  0.33034500  0.36745234  1.0\n", "composition": {"F": 24.0, "K": 8.0}, "description": "", "elements": ["F", "K"], "formula": "KF3", "identifiers": {"materials_project_id": "mp-2749823"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.7192000000000003, "density": 2.522390161311119, "energy_above_hull": 0.011928009062500244, "formation_energy_per_atom": -1.4586469993749995, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 15.9999997, "volume": 506.0819833756325}, "record_id": "mp-2749823", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.2444364725188235, "alpha": 87.3174605153349, "b": 7.403522946321622, "beta": 90.0043469033303, "c": 9.446132040735987, "gamma": 89.9954983378182, "matrix": [[7.24443645, 0.00047964, -0.00031019], [9.905e-05, 7.40150383, 0.1728961], [-0.00032698, 0.22162185, 9.44353187]], "pbc": [true, true, true], "volume": 506.0819833756325}, "properties": {}, "sites": [{"abc": [0.41779113, 0.8060319, 0.61876321], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.0265388049239776, 6.103180031601909, 5.982540270973478]}, {"abc": [0.91781501, 0.69396065, 0.38138548], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.648996544179247, 5.221315985276424, 3.7213243280357604]}, {"abc": [0.58343971, 0.30269707, 0.86599915], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.226438719244146, 2.4326176976787104, 8.230244738138692]}, {"abc": [0.08350154, 0.19722402, 0.13396461], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.6048973312981362, 1.4894838747793706, 1.29917242652875]}, {"abc": [0.45180407, 0.82132183, 0.09815378], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.2731151305706283, 6.100986396019837, 1.0687815457383583]}, {"abc": [0.95189416, 0.678753, 0.90194957], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.895709060260383, 5.224141227948997, 8.634647987941605]}, {"abc": [0.54844283, 0.32724156, 0.3851546], "label": "K", "properties": {"magmom": -0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.973065703818564, 2.507701389782166, 3.69362840797758]}, {"abc": [0.04844897, 0.17293992, 0.6146709], "label": 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8.293754378329751]}, {"abc": [0.72629071, 0.54780222, 0.13927264], "label": "F", "properties": {"magmom": 0.58}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.261575613262444, 4.085774447619832, 1.4097131937530438]}, {"abc": [0.76792778, 0.45408978, 0.61798313], "label": "F", "properties": {"magmom": 0.578}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.563046909868442, 3.4982741392536476, 5.914215531771133]}, {"abc": [0.26824911, 0.0456043, 0.38199501], "label": "F", "properties": {"magmom": 0.577}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.943193242541605, 0.42232750492455795, 3.615183648537768]}, {"abc": [0.80659871, 0.93590412, 0.15407542], "label": "F", "properties": {"magmom": 0.715}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.843395416969234, 6.961631285317972, 1.6165801126217123]}, {"abc": [0.30684162, 0.56437818, 0.84602721], "label": "F", "properties": {"magmom": 0.715}, "species": [{"element": "F", "occu": 1.0}], "xyz": [2.222673883986652, 4.364892549783585, 8.086968527567173]}, {"abc": [0.19036806, 0.44115455, 0.34112373], "label": "F", "properties": {"magmom": 0.707}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.3790414685007293, 3.3408988717047254, 3.297627666791999]}, {"abc": [0.69048462, 0.05872472, 0.65870323], "label": "F", "properties": {"magmom": 0.707}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.00196238319377, 0.58096545247239, 6.230424039014253]}, {"abc": [0.25407702, 0.46759438, 0.53997832], "label": "F", "properties": {"magmom": 0.608}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.8405145779076444, 3.58069445419664, 5.180068906562143]}, {"abc": [0.75428543, 0.03240099, 0.45980082], "label": "F", "properties": {"magmom": 0.608}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.464225726441859, 0.34207974540435393, 4.347511730531741]}, {"abc": [0.74522115, 0.96993673, 0.9534734], "label": "F", "properties": {"magmom": 0.601}, "species": [{"element": "F", "occu": 1.0}], "xyz": [5.398491567871693, 7.390658398658852, 9.171623557812493]}, {"abc": [0.24526138, 0.5300308, 0.04654068], "label": "F", "properties": {"magmom": 0.601}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.7768177627284947, 3.9334570649881258, 0.5310725754038894]}, {"abc": [0.55148176, 0.66525452, 0.86279014], "label": "F", "properties": {"magmom": 0.558}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.9949583419943813, 5.115361537404737, 8.262635032099999]}, {"abc": [0.05113154, 0.83481243, 0.13736245], "label": "F", "properties": {"magmom": 0.558}, "species": [{"element": "F", "occu": 1.0}], "xyz": [0.3704569655179235, 6.209334442997985, 1.4415066272024117]}, {"abc": [0.45000991, 0.16973732, 0.63238262], "label": "F", "properties": {"magmom": 0.56}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.2598782308776784, 1.3966770729794151, 6.001132758082568]}, {"abc": [0.94984383, 0.330345, 0.36745234], "label": "F", "properties": {"magmom": 0.56}, "species": [{"element": "F", "occu": 1.0}], "xyz": [6.880995834965719, 2.5269408331936, 3.526868613592948]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "P 2yb", "number": 4, "point_group": "2", "symbol": "P2_1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KF5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.89693432\n_cell_length_b   7.89693432\n_cell_length_c   7.89693432\n_cell_angle_alpha   139.44443283\n_cell_angle_beta   139.44443283\n_cell_angle_gamma   58.69782767\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KF5\n_chemical_formula_sum   'K2 F10'\n_cell_volume   206.23630890\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  K  K0  1  0.25000000  0.75000000  0.50000000  1.0\n  K  K1  1  0.50000000  0.50000000  0.00000000  1.0\n  F  F2  1  0.75000000  0.25000000  0.50000000  1.0\n  F  F3  1  0.00000000  0.00000000  0.00000000  1.0\n  F  F4  1  0.13834800  0.06724100  0.39416800  1.0\n  F  F5  1  0.67307300  0.74418100  0.60583200  1.0\n  F  F6  1  0.49418100  0.38834800  0.57110700  1.0\n  F  F7  1  0.81724100  0.92307300  0.42889300  1.0\n  F  F8  1  0.61165200  0.18275900  0.10583200  1.0\n  F  F9  1  0.07692600  0.50581900  0.89416800  1.0\n  F  F10  1  0.25581900  0.86165200  0.92889300  1.0\n  F  F11  1  0.93275900  0.32692600  0.07110700  1.0\n", "composition": {"F": 10.0, "K": 2.0}, "description": "", "elements": ["F", "K"], "formula": "KF5", "identifiers": {"materials_project_id": "mp-1095521"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.159292024455315, "energy_above_hull": 0.10264835645833337, "formation_energy_per_atom": -0.9894374503750001, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 8.0067085, "volume": 206.23630890128948}, "record_id": "mp-1095521", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.89693431781321, "alpha": 139.4444328329013, "b": 7.89693431781321, "beta": 139.4444328329013, "c": 7.89693431781321, "gamma": 58.69782766807982, "matrix": [[-2.736856, 2.736856, 6.883372], [2.736856, -2.736856, 6.883372], [2.736856, 2.736856, -6.883372]], "pbc": [true, true, true], "volume": 206.23630890128948}, "properties": {}, "sites": [{"abc": [0.25, 0.75, 0.5], "label": "K", "properties": {"magmom": 0.003}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.7368560000000004, -2.220446049250313e-16, 3.441686]}, {"abc": [0.5, 0.5, 0.0], "label": "K", "properties": {"magmom": 0.003}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 6.883372]}, {"abc": [0.75, 0.25, 0.5], "label": "F", "properties": {"magmom": 1.021}, "species": [{"element": "F", "occu": 1.0}], "xyz": [-2.220446049250313e-16, 2.7368560000000004, 3.441686]}, {"abc": [0.0, 0.0, 0.0], "label": "F", "properties": {"magmom": 1.021}, "species": [{"element": "F", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.138348, 0.067241, 0.394168], "label": "F", "properties": {"magmom": 0.653}, "species": [{"element": "F", "occu": 1.0}], "xyz": [0.884171436216, 1.2733906754, -1.2980594083880002]}, {"abc": [0.673073, 0.744181, 0.605832], "label": "F", "properties": {"magmom": 0.656}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.8526873006399995, 1.4634625877440004, 5.585319474984001]}, {"abc": [0.494181, 0.388348, 0.571107], "label": "F", "properties": {"magmom": 0.656}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.2733879385440003, 1.85268730064, 2.1436334749839996]}, {"abc": [0.817241, 0.923073, 0.428893], "label": "F", "properties": {"magmom": 0.65}, "species": [{"element": "F", "occu": 1.0}], "xyz": [1.4634653246000005, 0.8841714362159996, 9.026998591612001]}, {"abc": [0.611652, 0.182759, 0.105832], "label": "F", "properties": {"magmom": 0.653}, "species": [{"element": "F", "occu": 1.0}], "xyz": [-0.884171436216, 1.4634653246, 4.739745408387999]}, {"abc": [0.076926, 0.505819, 0.894168], "label": "F", "properties": {"magmom": 0.658}, "species": [{"element": "F", "occu": 1.0}], "xyz": [3.621027436216, 1.2733906754, -2.1436403583559995]}, {"abc": [0.255819, 0.861652, 0.928893], "label": "F", "properties": {"magmom": 0.655}, "species": [{"element": "F", "occu": 1.0}], "xyz": [4.200324061456, 0.8841686993599998, 1.2980525250159998]}, {"abc": [0.932759, 0.326926, 0.071107], "label": "F", "properties": {"magmom": 0.648}, "species": [{"element": "F", "occu": 1.0}], "xyz": [-1.4634680614559998, 1.8526873006399998, 8.181424525015998]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "I 4bw -1bw", "number": 88, "point_group": "4/m", "symbol": "I4_1/a", "symprec": 0.1, "version": "2.7.0"}}}