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	{"cif": "# generated using pymatgen\ndata_Y2Cr2O7\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 7.11401500\n_cell_length_b 7.11811266\n_cell_length_c 7.14358888\n_cell_angle_alpha 119.86862417\n_cell_angle_beta 89.92689233\n_cell_angle_gamma 119.98042460\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Y2Cr2O7\n_chemical_formula_sum 'Y4 Cr4 O14'\n_cell_volume 256.53241470\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 Y Y0 1 0.50000000 0.00000000 0.50000000 1.0\n Y Y1 1 0.00000000 0.50000000 0.50000000 1.0\n Y Y2 1 0.50000000 0.50000000 0.00000000 1.0\n Y Y3 1 0.50000000 0.50000000 0.50000000 1.0\n Cr Cr4 1 0.00000000 0.50000000 0.00000000 1.0\n Cr Cr5 1 0.50000000 0.00000000 0.00000000 1.0\n Cr Cr6 1 0.00000000 0.00000000 0.50000000 1.0\n Cr Cr7 1 0.00000000 0.00000000 0.00000000 1.0\n O O8 1 0.62477500 0.37581400 0.37265700 1.0\n O O9 1 0.37522500 0.62418600 0.62734300 1.0\n O O10 1 0.32591300 0.07108500 0.08589100 1.0\n O O11 1 0.08193600 0.33518600 0.32180700 1.0\n O O12 1 0.91837700 0.67205800 0.07598300 1.0\n O O13 1 0.92636500 0.08689000 0.66617000 1.0\n O O14 1 0.33444400 0.67690100 0.07744500 1.0\n O O15 1 0.32675000 0.08201500 0.66680800 1.0\n O O16 1 0.91806400 0.66481400 0.67819300 1.0\n O O17 1 0.66555600 0.32309900 0.92255500 1.0\n O O18 1 0.07363500 0.91311000 0.33383000 1.0\n O O19 1 0.67408700 0.92891500 0.91410900 1.0\n O O20 1 0.67325000 0.91798500 0.33319200 1.0\n O O21 1 0.08162300 0.32794200 0.92401700 1.0\n", "composition": {"Cr": 4.0, "O": 14.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "Y2Cr2O7", "identifiers": {"materials_project_id": "mp-1340427"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.098145495093474, "energy_above_hull": 3.7134779218181837, "formation_energy_per_atom": 0.7589572359090911, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.7416047, "volume": 256.53241470190153}, "record_id": "mp-1340427", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.114015, "alpha": 119.86862417388329, "b": 7.1181126590989, "beta": 89.92689232535042, "c": 7.1435888841734165, "gamma": 119.98042460018192, "matrix": [[-7.114015, 0.0, 0.0], [3.55695, 6.165682, 0.0], [-0.009115, -4.101894, -5.848525]], "pbc": [true, true, true], "volume": 256.53241470190153}, "properties": {}, "sites": [{"abc": [0.5, 0.0, 0.5], "label": "Y", "properties": {"magmom": 0.006}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-3.5615650000000003, -2.050947, -2.9242625]}, {"abc": [0.0, 0.5, 0.5], "label": "Y", "properties": {"magmom": -0.167}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.7739175, 1.0318940000000003, -2.9242625]}, {"abc": [0.5, 0.5, 0.0], "label": "Y", "properties": {"magmom": 0.011}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-1.7785325, 3.082841, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Y", "properties": {"magmom": 0.093}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-1.78309, 1.0318940000000003, -2.9242625]}, {"abc": [0.0, 0.5, 0.0], "label": "Cr", "properties": {"magmom": -1.095}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.778475, 3.082841, 0.0]}, {"abc": [0.5, 0.0, 0.0], "label": "Cr", "properties": {"magmom": -0.992}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-3.5570075, 0.0, 0.0]}, {"abc": [0.0, 0.0, 0.5], "label": "Cr", "properties": {"magmom": -0.069}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-0.0045575, -2.050947, -2.9242625]}, {"abc": [0.0, 0.0, 0.0], "label": "Cr", "properties": {"magmom": -0.107}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.624775, 0.375814, 0.372657], "label": "O", "properties": {"magmom": 0.041}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.11130388288, 0.7885501027900004, -2.179493780925]}, {"abc": [0.375225, 0.624186, 0.627343], "label": "O", "properties": {"magmom": 0.041}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.45487611712000003, 1.2752378972100002, -3.6690312190750003]}, {"abc": [0.325913, 0.071085, 0.085891], "label": "O", "properties": {"magmom": 0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.06648707641, 0.08597172741600007, -0.502335660775]}, {"abc": [0.081936, 0.335186, 0.321807], "label": "O", "properties": {"magmom": -0.105}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.606412638855, 0.746632084394, -1.8820962846750002]}, {"abc": [0.918377, 0.672058, 0.075983], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.1435636356, 3.832021701754001, -0.444388475075]}, {"abc": [0.926365, 0.08689, 0.66617], "label": "O", "properties": {"magmom": 0.02}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-6.2871832595249995, -2.196822617, -3.8961118992500006]}, {"abc": [0.334444, 0.676901, 0.077445], "label": "O", "properties": {"magmom": 0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.027757468114999757, 3.8558851306519997, -0.452939018625]}, {"abc": [0.32675, 0.082015, 0.666808], "label": "O", "properties": {"magmom": -0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.03885910192, -2.2294973251219994, -3.8998432582]}, {"abc": [0.918064, 0.664814, 0.678193], "label": "O", "properties": {"magmom": -0.105}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.172592638855, 1.3171559156060004, -3.9664287153250006]}, {"abc": [0.665556, 0.323099, 0.922555], "label": "O", "properties": {"magmom": 0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.5939374681150005, -1.7920971306519993, -5.3955859813750005]}, {"abc": [0.073635, 0.91311, 0.33383], "label": "O", "properties": {"magmom": 0.02}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.721003259525, 4.260610617, -1.9524131007500003]}, {"abc": [0.674087, 0.928915, 0.914109], "label": "O", "properties": {"magmom": 0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.49969292359, 1.977816272584001, -5.346189339225]}, {"abc": [0.67325, 0.917985, 0.333192], "label": "O", "properties": {"magmom": -0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.5273208980800004, 4.2932853251220005, -1.9486817418]}, {"abc": [0.081623, 0.327942, 0.924017], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5773836356000001, -1.7682337017539997, -5.404136524925001]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "-P 1", "number": 2, "point_group": "-1", "symbol": "P-1", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Y2Cr2O7\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 7.11401551\n_cell_length_b 7.11811301\n_cell_length_c 7.14504004\n_cell_angle_alpha 60.11112790\n_cell_angle_beta 60.22831951\n_cell_angle_gamma 60.01958540\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Y2Cr2O7\n_chemical_formula_sum 'Y4 Cr4 O14'\n_cell_volume 256.53249997\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 Y Y0 1 0.50008800 0.99995500 0.49997200 1.0\n Y Y1 1 0.99998900 0.49996600 0.49997000 1.0\n Y Y2 1 0.50004800 0.49990800 0.00003500 1.0\n Y Y3 1 0.50013000 0.49988300 0.49999400 1.0\n Cr Cr4 1 0.00002800 0.49997300 0.00009300 1.0\n Cr Cr5 1 0.50007300 0.00009500 0.00003300 1.0\n Cr Cr6 1 0.99981200 0.00014700 0.49986400 1.0\n Cr Cr7 1 0.99972600 0.00018800 0.00011900 1.0\n O O8 1 0.62477500 0.62418600 0.62734300 1.0\n O O9 1 0.37525100 0.37571800 0.37272500 1.0\n O O10 1 0.32591300 0.92891500 0.91410900 1.0\n O O11 1 0.08193600 0.66481400 0.67819300 1.0\n O O12 1 0.91837700 0.32794200 0.92401700 1.0\n O O13 1 0.92636500 0.91311000 0.33383000 1.0\n O O14 1 0.33444400 0.32309900 0.92255500 1.0\n O O15 1 0.32675000 0.91798500 0.33319200 1.0\n O O16 1 0.91810100 0.33526500 0.32173000 1.0\n O O17 1 0.66549800 0.67691700 0.07744700 1.0\n O O18 1 0.07373800 0.08687300 0.66613000 1.0\n O O19 1 0.67407600 0.07099000 0.08588700 1.0\n O O20 1 0.67321200 0.08191800 0.66690700 1.0\n O O21 1 0.08167100 0.67215200 0.07585500 1.0\n", "composition": {"Cr": 4.0, "O": 14.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "Y2Cr2O7", "identifiers": {"materials_project_id": "mp-1939204"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.9074999999999998, "density": 5.098143800553065, "energy_above_hull": 0.017967494090910918, "formation_energy_per_atom": -2.9365531918181813, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 8.0001892, "volume": 256.53249996912035}, "record_id": "mp-1939204", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.1140155071444715, "alpha": 60.11112790234295, "b": 7.118113009855984, "beta": 60.22831951489207, "c": 7.145040041811242, "gamma": 60.019585396305196, "matrix": [[6.163592, 0.001862, 3.552372], [2.05206, 5.812509, 3.55968], [-0.023093, -0.007294, 7.144999]], "pbc": [true, true, true], "volume": 256.53249996912035}, "properties": {}, "sites": [{"abc": [0.500088, 0.999955, 0.499972], "label": "Y", "properties": {"magmom": 0.01}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.1227602, 5.809531805183001, 8.908317863164001]}, {"abc": [0.999989, 0.499966, 0.49997], "label": "Y", "properties": {"magmom": 0.01}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [7.177938623238, 2.904272073032, 8.904337044818]}, {"abc": [0.500048, 0.499908, 3.5e-05], "label": "Y", "properties": {"magmom": 0.005}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [4.107932254641001, 2.9066505832580005, 3.556119098261]}, {"abc": [0.50013, 0.499883, 0.499994], "label": "Y", "properties": {"magmom": 0.012}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [4.096840814498, 2.9028587222710005, 7.128527955806]}, {"abc": [2.8e-05, 0.499973, 9.3e-05], "label": "Cr", "properties": {"magmom": 2.174}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.026145027307, 2.906096936051, 1.780507839963]}, {"abc": [0.500073, 9.5e-05, 3.3e-05], "label": "Cr", "properties": {"magmom": 2.176}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.0824401258470004, 0.001483083579, 1.777019277723]}, {"abc": [0.999812, 0.000147, 0.499864], "label": "Cr", "properties": {"magmom": 2.165}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [6.151191538172, -0.0009299192489999998, 7.12375520716]}, {"abc": [0.999726, 0.000188, 0.000119], "label": "Cr", "properties": {"magmom": 2.176}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [6.162286215005, 0.002953373518, 3.552918124793]}, {"abc": [0.624775, 0.624186, 0.627343], "label": "O", "properties": {"magmom": -0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.117238083060999, 3.624674233882, 8.923700744437]}, {"abc": [0.375251, 0.375718, 0.372725], "label": "O", "properties": {"magmom": -0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.075282602247, 2.1818443176740003, 5.333586747887001]}, {"abc": [0.325913, 0.928915, 0.914109], "label": "O", "properties": {"magmom": -0.067}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.893874555259, 5.393266136695001, 10.995712253727]}, {"abc": [0.081936, 0.664814, 0.678193], "label": "O", "properties": {"magmom": -0.072}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8535967800030002, 3.8594431834160003, 7.503280558519]}, {"abc": [0.918377, 0.327942, 0.924017], "label": "O", "properties": {"magmom": -0.065}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.312119466123, 1.901136064454, 11.031885859787]}, {"abc": [0.926365, 0.91311, 0.33383], "label": "O", "properties": {"magmom": -0.057}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.57578327349, 5.306750028600001, 8.92638750875]}, {"abc": [0.334444, 0.323099, 0.922555], "label": "O", "properties": {"magmom": -0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.7030903341730004, 1.8719094639490002, 8.929853101933]}, {"abc": [0.32675, 0.917985, 0.333192], "label": "O", "properties": {"magmom": -0.058}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8900195822440002, 5.333974180417, 6.809126902608]}, {"abc": [0.918101, 0.335265, 0.32173], "label": "O", "properties": {"magmom": -0.071}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.339354163802001, 1.948093635327, 6.753632929042]}, {"abc": [0.665498, 0.676917, 0.077447], "label": "O", "properties": {"magmom": -0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.489143964265001, 3.9352604136110005, 5.3270631053690005]}, {"abc": [0.073738, 0.086873, 0.66613], "label": "O", "properties": {"magmom": -0.057}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.6173766151860001, 0.5002286422930001, 5.330683071046]}, {"abc": [0.674076, 0.07099, 0.085887], "label": "O", "properties": {"magmom": -0.066}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.298421791900999, 0.41325868364400004, 3.2609329205850006]}, {"abc": [0.673212, 0.081918, 0.666907], "label": "O", "properties": {"magmom": -0.057}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.302103865233, 0.47253821334800006, 7.448151173197001]}, {"abc": [0.081671, 0.672152, 0.075855], "label": "O", "properties": {"magmom": -0.065}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.880931235837, 3.9064883343999997, 3.2247557041170003]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "-P 1", "number": 2, "point_group": "-1", "symbol": "P-1", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Y2Cr2O7\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 7.02463587\n_cell_length_b 7.02474859\n_cell_length_c 7.02302857\n_cell_angle_alpha 59.98760622\n_cell_angle_beta 59.98889265\n_cell_angle_gamma 59.99469259\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Y2Cr2O7\n_chemical_formula_sum 'Y4 Cr4 O14'\n_cell_volume 245.00190747\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 Y Y0 1 0.49997823 0.99999617 0.50001411 1.0\n Y Y1 1 -0.00000116 0.49999809 0.49999030 1.0\n Y Y2 1 0.50001742 0.49998523 0.00000468 1.0\n Y Y3 1 0.50002319 0.49996478 0.50000995 1.0\n Cr Cr4 1 0.00000223 0.50000792 -0.00000361 1.0\n Cr Cr5 1 0.49999880 0.00000160 -0.00000380 1.0\n Cr Cr6 1 0.00000311 0.00000182 0.49999426 1.0\n Cr Cr7 1 -0.00001202 0.00000546 0.00001022 1.0\n O O8 1 0.62502197 0.62505074 0.62486164 1.0\n O O9 1 0.37497208 0.37494387 0.37514813 1.0\n O O10 1 0.32730339 0.92318847 0.92197876 1.0\n O O11 1 0.07766520 0.67218460 0.67287988 1.0\n O O12 1 0.92219948 0.32739755 0.92290175 1.0\n O O13 1 0.92313464 0.92211749 0.32751787 1.0\n O O14 1 0.32775663 0.32712715 0.92295636 1.0\n O O15 1 0.32729307 0.92254087 0.32753571 1.0\n O O16 1 0.92234067 0.32782339 0.32711976 1.0\n O O17 1 0.67224169 0.67287847 0.07703812 1.0\n O O18 1 0.07686100 0.07789801 0.67247861 1.0\n O O19 1 0.67268690 0.07681990 0.07802121 1.0\n O O20 1 0.67270081 0.07745324 0.67246534 1.0\n O O21 1 0.07781368 0.67261417 0.07708077 1.0\n", "composition": {"Cr": 4.0, "O": 14.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "Y2Cr2O7", "identifiers": {"materials_project_id": "mp-2763860"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.338079151624889, "energy_above_hull": 0.026334073863646168, "formation_energy_per_atom": -2.9846064505681835, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 8.0000003, "volume": 245.00190746700514}, "record_id": "mp-2763860", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.024635871581387, "alpha": 59.98760622089059, "b": 7.024748589957032, "beta": 59.98889265194381, "c": 7.023028568780044, "gamma": 59.99469258917804, "matrix": [[6.08343948, 0.00033468, 3.51244546], [2.02807909, 5.73552744, 3.51250807], [0.00121425, 0.00101821, 7.02302839]], "pbc": [true, true, true], "volume": 245.00190746700514}, "properties": {}, "sites": [{"abc": [0.49997823, 0.99999617, 0.50001411], "label": "Y", "properties": {"magmom": 0.014}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.070265768112674, 5.7361819250108645, 8.78025417108701]}, {"abc": [-1.16e-06, 0.49999809, 0.4999903], "label": "Y", "properties": {"magmom": 0.014}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.0146357278009164, 2.8682618598777236, 5.2676893232974695]}, {"abc": [0.50001742, 0.49998523, 4.68e-06], "label": "Y", "properties": {"magmom": 0.014}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [4.055835309470273, 2.86784635685506, 3.5125189398285848]}, {"abc": [0.50002319, 0.49996478, 0.50000995], "label": "Y", "properties": {"magmom": 0.014}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [4.056436068097778, 2.868238177615982, 7.024018582208473]}, {"abc": [2.23e-06, 0.50000792, -3.61e-06], "label": "Cr", "properties": {"magmom": 2.251}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.0140691690729908, 2.8678091424479235, 1.7562643336848025]}, {"abc": [0.4999988, 1.6e-06, -3.8e-06], "label": "Cr", "properties": {"magmom": 2.249}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.041715680185018, 0.00017651257309, 1.756197447570478]}, {"abc": [3.11e-06, 1.82e-06, 0.49999426], "label": "Cr", "properties": {"magmom": 2.253}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0006297286309316001, 0.0005195388562702001, 3.51149119928711]}, {"abc": [-1.202e-05, 5.46e-06, 1.022e-05], "label": "Cr", "properties": {"magmom": 2.249}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-6.20372210832e-05, 3.1322363075e-05, 4.8734049778800004e-05]}, {"abc": [0.62502197, 0.62505074, 0.62486164], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.070694402394772, 3.58584109338569, 8.779272386878187]}, {"abc": [0.37497208, 0.37494387, 0.37514813], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0419913016572493, 2.1510083300779743, 5.268738316640199]}, {"abc": [0.32730339, 0.92318847, 0.92197876], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8645491095092597, 5.296021111868402, 10.867425263711059]}, {"abc": [0.0776652, 0.6721846, 0.67287988], "label": "O", "properties": {"magmom": -0.052}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8365321201764, 3.8560443440571754, 7.3595031114695075]}, {"abc": [0.92219948, 0.32739755, 0.92290175], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.275253483789637, 1.8790459813266058, 10.87072710464427]}, {"abc": [0.92313464, 0.92211749, 0.32751787], "label": "O", "properties": {"magmom": -0.052}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.486358602897519, 5.289472603470653, 8.781572499592208]}, {"abc": [0.32775663, 0.32712715, 0.92295636], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.658448055220176, 1.87729620217824, 8.78221276033056]}, {"abc": [0.32729307, 0.92254087, 0.32753571], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8624511419216794, 5.29170151298642, 6.69032389865959]}, {"abc": [0.92234067, 0.32782339, 0.32711976], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.276252613528147, 1.8808818144050867, 6.6885249632346016]}, {"abc": [0.67224169, 0.67287847, 0.07703812], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.454285935703323, 3.859616355303191, 5.265744231939707]}, {"abc": [0.076861, 0.07789801, 0.67247861], "label": "O", "properties": {"magmom": -0.052}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.6263791242580834, 0.4474966221613626, 5.266423828960739]}, {"abc": [0.6726869, 0.0768199, 0.07802121], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.2481416152789455, 0.44090722121598214, 3.1805517394452183]}, {"abc": [0.67270081, 0.07745324, 0.67246534], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.250232503317825, 0.4451450337778379, 7.3576232106814725]}, {"abc": [0.07781368, 0.67261417, 0.07708077], "label": "O", "properties": {"magmom": -0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8375831421357642, 3.8579015556610696, 3.177219443196305]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F 4d 2 3 -1d", "number": 227, "point_group": "m-3m", "symbol": "Fd-3m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Y2Cr3O12\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.08544600\n_cell_length_b 6.83183980\n_cell_length_c 14.19336220\n_cell_angle_alpha 85.06196718\n_cell_angle_beta 80.04991258\n_cell_angle_gamma 68.25076794\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Y2Cr3O12\n_chemical_formula_sum 'Y4 Cr6 O24'\n_cell_volume 450.99611201\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 Y Y0 1 0.37302300 0.12751000 0.12309100 1.0\n Y Y1 1 0.37992300 0.79302100 0.45378200 1.0\n Y Y2 1 0.62697700 0.87249000 0.87690900 1.0\n Y Y3 1 0.62007700 0.20697900 0.54621800 1.0\n Cr Cr4 1 0.88588100 0.28444600 0.95488200 1.0\n Cr Cr5 1 0.86653500 0.96695100 0.29578900 1.0\n Cr Cr6 1 0.87152800 0.62681800 0.62212100 1.0\n Cr Cr7 1 0.13346500 0.03304900 0.70421100 1.0\n Cr Cr8 1 0.11411900 0.71555400 0.04511800 1.0\n Cr Cr9 1 0.12847200 0.37318200 0.37787900 1.0\n O O10 1 0.82205100 0.20856900 0.68063900 1.0\n O O11 1 0.77052700 0.87411500 0.02728600 1.0\n O O12 1 0.81912100 0.55832500 0.36630300 1.0\n O O13 1 0.88259300 0.51617600 0.90942500 1.0\n O O14 1 0.93778100 0.16437300 0.23835300 1.0\n O O15 1 0.94506800 0.83296800 0.56090100 1.0\n O O16 1 0.30588500 0.11062700 0.77324300 1.0\n O O17 1 0.24241700 0.82679700 0.11530000 1.0\n O O18 1 0.32054800 0.45329900 0.44424900 1.0\n O O19 1 0.68279800 0.69593300 0.72737000 1.0\n O O20 1 0.68332800 0.30702700 0.06084300 1.0\n O O21 1 0.64815000 0.01390700 0.40662700 1.0\n O O22 1 0.31667200 0.69297300 0.93915700 1.0\n O O23 1 0.31720200 0.30406700 0.27263000 1.0\n O O24 1 0.35185000 0.98609300 0.59337300 1.0\n O O25 1 0.06221900 0.83562700 0.76164700 1.0\n O O26 1 0.11740700 0.48382400 0.09057500 1.0\n O O27 1 0.05493200 0.16703200 0.43909900 1.0\n O O28 1 0.22947300 0.12588500 0.97271400 1.0\n O O29 1 0.17794900 0.79143100 0.31936100 1.0\n O O30 1 0.18087900 0.44167500 0.63369700 1.0\n O O31 1 0.75758300 0.17320300 0.88470000 1.0\n O O32 1 0.69411500 0.88937300 0.22675700 1.0\n O O33 1 0.67945200 0.54670100 0.55575100 1.0\n", "composition": {"Cr": 6.0, "O": 24.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "Y2Cr3O12", "identifiers": {"materials_project_id": "mp-1361477"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8489000000000002, "density": 3.8718714566068027, "energy_above_hull": 0.034196337647060204, "formation_energy_per_atom": -2.3388070467647055, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0002469, "volume": 450.99611200522594}, "record_id": "mp-1361477", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.085446, "alpha": 85.06196718122672, "b": 6.831839799362981, "beta": 80.04991258387129, "c": 14.193362200557733, "gamma": 68.25076794309544, "matrix": [[5.085446, 0.0, 0.0], [2.531504, 6.345512, 0.0], [2.452474, 0.336976, 13.975813]], "pbc": [true, true, true], "volume": 450.99611200522594}, "properties": {}, "sites": [{"abc": [0.373023, 0.12751, 0.123091], "label": "Y", "properties": {"magmom": 0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.521657875432, 0.8505949479360001, 1.7202967979830002]}, {"abc": [0.379923, 0.793021, 0.453782], "label": "Y", "properties": {"magmom": -0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.052502290910001, 5.185037914984, 6.341972374766001]}, {"abc": [0.626977, 0.87249, 0.876909], "label": "Y", "properties": {"magmom": 0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [7.547766124568, 5.831893052064, 12.255516202017]}, {"abc": [0.620077, 0.206979, 0.546218], "label": "Y", "properties": {"magmom": -0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.01692170909, 1.497450085016, 7.633840625234]}, {"abc": [0.885881, 0.284446, 0.954882], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [7.566999452778001, 2.126727823184, 13.345252269066]}, {"abc": [0.866535, 0.966951, 0.295789], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [7.5799721059000005, 6.2354729679759995, 4.133891751457001]}, {"abc": [0.871528, 0.626818, 0.622121], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [7.544636433114, 4.187120986912, 8.694646759373]}, {"abc": [0.133465, 0.033049, 0.704211], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.4894518941, 0.44701503202400006, 9.841921248543]}, {"abc": [0.114119, 0.715554, 0.045118], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.502424547222, 4.555760176816, 0.630560730934]}, {"abc": [0.128472, 0.373182, 0.377879], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.5247875668860003, 2.495367013088, 5.281166240627001]}, {"abc": [0.822051, 0.208569, 0.680639], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.377738678408, 1.5528360999920001, 9.512483384507]}, {"abc": [0.770527, 0.874115, 0.027286], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.198217274565999, 5.555901949016, 0.381344033518]}, {"abc": [0.819121, 0.558325, 0.366303], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.477346167388, 3.6662933071279995, 5.119382229339]}, {"abc": [0.882593, 0.516176, 0.909425], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.025421817632, 3.581855400912, 12.709953737525002]}, {"abc": [0.937781, 0.164373, 0.238353], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.7697000776400005, 1.1233500845039999, 3.331176955989]}, {"abc": [0.945068, 0.832968, 0.560901], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.290349223274, 5.474618614992, 7.839047487513]}, {"abc": [0.305885, 0.110627, 0.773243], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.7319726959000006, 0.962549289192, 10.806699571559001]}, {"abc": [0.242417, 0.826797, 0.1153], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.60860872787, 5.285303617864, 1.6114112389000002]}, {"abc": [0.320548, 0.453299, 0.444249], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8671668981300003, 3.026115495112, 6.208740949437001]}, {"abc": [0.682798, 0.695933, 0.72737], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.01794554452, 4.6611574358159995, 10.165587101809999]}, {"abc": [0.683328, 0.307027, 0.060843], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.401483598477999, 1.9687461435920002, 0.850330390359]}, {"abc": [0.64815, 0.013907, 0.406627], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.3285795962260005, 0.225270575336, 5.682942912751001]}, {"abc": [0.316672, 0.692973, 0.939157], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.667940401521999, 4.713741856407999, 13.125482609641]}, {"abc": [0.317202, 0.304067, 0.27263], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.05147845548, 2.021330564184, 3.8102258981899997]}, {"abc": [0.35185, 0.986093, 0.593373], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.740844403774, 6.457217424664001, 8.292870087249002]}, {"abc": [0.062219, 0.835627, 0.761647], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.29972392236, 5.559137915496001, 10.644636044011]}, {"abc": [0.117407, 0.483824, 0.090575], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0440021823679997, 3.1006325990879997, 1.265859262475]}, {"abc": [0.054932, 0.167032, 0.439099], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7790747767260002, 1.2078693850080002, 6.136765512487001]}, {"abc": [0.229473, 0.125885, 0.972714], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.871206725434, 1.126586050984, 13.594468966482]}, {"abc": [0.177949, 0.791431, 0.319361], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6916853215920002, 5.1296519000080005, 4.4633296154930004]}, {"abc": [0.180879, 0.441675, 0.633697], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.5920778326119995, 3.0161946928720003, 8.856430770661]}, {"abc": [0.757583, 0.173203, 0.8847], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.4608152721300005, 1.397184382136, 12.364401761100002]}, {"abc": [0.694115, 0.889373, 0.226757], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.3374513041, 5.719938710808, 3.169113428441]}, {"abc": [0.679452, 0.546701, 0.555751], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.20225710187, 3.656372504888, 7.767072050563]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "-P 1", "number": 2, "point_group": "-1", "symbol": "P-1", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Y2Cr3O12\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 15.87722169\n_cell_length_b 15.37186556\n_cell_length_c 5.92838601\n_cell_angle_alpha 83.90163067\n_cell_angle_beta 74.29763166\n_cell_angle_gamma 21.79291788\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Y2Cr3O12\n_chemical_formula_sum 'Y4 Cr6 O24'\n_cell_volume 472.60696741\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 Y Y0 1 0.66983603 0.66974597 0.33014365 1.0\n Y Y1 1 0.33014911 0.33030623 0.66983190 1.0\n Y Y2 1 0.91976305 0.91978416 0.58021802 1.0\n Y Y3 1 0.58027965 0.58012102 0.91977216 1.0\n Cr Cr4 1 0.75002572 0.75001399 0.74992653 1.0\n Cr Cr5 1 0.41445693 0.41466379 0.08541905 1.0\n Cr Cr6 1 0.08552906 0.08537427 0.41455130 1.0\n Cr Cr7 1 0.16467353 0.16438843 0.83553424 1.0\n Cr Cr8 1 0.83530595 0.83560370 0.16458310 1.0\n Cr Cr9 1 0.50000252 0.49997078 0.50005981 1.0\n O O10 1 0.12272939 0.26657095 0.05504244 1.0\n O O11 1 0.78657941 0.94503270 0.39605371 1.0\n O O12 1 0.47600459 0.58752580 0.71278553 1.0\n O O13 1 0.66266007 0.77376947 0.02608390 1.0\n O O14 1 0.30500447 0.46340550 0.37760225 1.0\n O O15 1 0.98328351 0.12738116 0.69430261 1.0\n O O16 1 0.53733451 0.02628585 0.77397239 1.0\n O O17 1 0.19506518 0.69433053 0.12726779 1.0\n O O18 1 0.85409604 0.37750399 0.46312428 1.0\n O O19 1 0.87248493 0.39588590 0.94484241 1.0\n O O20 1 0.55559168 0.05507827 0.26666785 1.0\n O O21 1 0.22381856 0.71255703 0.58739485 1.0\n O O22 1 0.26673081 0.12259972 0.55584505 1.0\n O O23 1 0.94481131 0.78681069 0.87240742 1.0\n O O24 1 0.58749438 0.47606053 0.22381419 1.0\n O O25 1 0.77378052 0.66270087 0.53727607 1.0\n O O26 1 0.46311725 0.30529840 0.85399618 1.0\n O O27 1 0.12737662 0.98324707 0.19519014 1.0\n O O28 1 0.02630568 0.53728873 0.66244839 1.0\n O O29 1 0.69420952 0.19513712 0.98323789 1.0\n O O30 1 0.37774998 0.85384776 0.30502257 1.0\n O O31 1 0.39623989 0.87213345 0.78666848 1.0\n O O32 1 0.05478154 0.55588370 0.12273270 1.0\n O O33 1 0.71273162 0.22369450 0.47618015 1.0\n", "composition": {"Cr": 6.0, "O": 24.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "Y2Cr3O12", "identifiers": {"materials_project_id": "mp-1362204"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.2189, "density": 3.6948227460487058, "energy_above_hull": 0.0, "formation_energy_per_atom": -2.373003384411765, "is_stable": true, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0, "volume": 472.60696740624115}, "record_id": "mp-1362204", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 15.877221690264557, "alpha": 83.90163066633968, "b": 15.371865559640923, "beta": 74.29763166434995, "c": 5.928386012650743, "gamma": 21.79291787840471, "matrix": [[0.00063818, 5.04681718, 15.0537638], [3.11092517, 0.00033774, 15.05378342], [3.11068393, 5.04672232, 0.00016567]], "pbc": [true, true, true], "volume": 472.6069674062411}, "properties": {}, "sites": [{"abc": [0.66983603, 0.66974597, 0.33014365], "label": "Y", "properties": {"magmom": -0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.110929618183235, 5.046909511252171, 20.165818854046027]}, {"abc": [0.33014911, 0.33030623, 0.6698319], "label": "Y", "properties": {"magmom": -0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.111403986405196, 5.046769358313838, 9.942456140467797]}, {"abc": [0.91976305, 0.91978416, 0.58021802], "label": "Y", "properties": {"magmom": -0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [4.666841539404975, 7.5703858421716035, 27.692223369173593]}, {"abc": [0.58027965, 0.58012102, 0.91977216], "label": "Y", "properties": {"magmom": -0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [4.666203883004499, 7.570595926084293, 17.468561360169907]}, {"abc": [0.75002572, 0.75001399, 0.74992653], "label": "Cr", "properties": {"magmom": 0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [4.66650045630878, 7.570166956174001, 22.58138244056321]}, {"abc": [0.41445693, 0.41466379, 0.08541905], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.555964185673048, 2.5229146294306877, 12.481409767643509]}, {"abc": [0.08552906, 0.08537427, 0.4145513], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.5551856154194958, 2.5238036621982167, 2.5728087162105027]}, {"abc": [0.16467353, 0.16438843, 0.83553424], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.110588129229922, 5.047842018975831, 4.953762669663586]}, {"abc": [0.83530595, 0.8356037, 0.1645831], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.1119996623458825, 5.04652384007465, 25.15352286326744]}, {"abc": [0.50000252, 0.49997078, 0.50005981], "label": "Cr", "properties": {"magmom": -0.0}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.1112187903805992, 5.04725317257249, 15.053454518841967]}, {"abc": [0.12272939, 0.26657095, 0.05504244], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0005802349639108, 0.897266736110834, 5.860449714622765]}, {"abc": [0.78657941, 0.9450327, 0.39605371], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.172425903264813, 5.968814753342168, 26.06736385291933]}, {"abc": [0.47600459, 0.5875258, 0.71278553], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.045303069561165, 5.999737217158577, 16.010264899616836]}, {"abc": [0.66266007, 0.77376947, 0.0260839], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.488700584965759, 3.4762237589994482, 21.62369051317937]}, {"abc": [0.30500447, 0.4634055, 0.37760225], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.616415732625942, 3.4451120129035844, 11.567533839325755]}, {"abc": [0.98328351, 0.12738116, 0.69430261], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.5566567401822664, 8.466447611512935, 16.719801127516703]}, {"abc": [0.53733451, 0.02628585, 0.77397239], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.4896997043541287, 6.617861649934605, 8.484736512045195]}, {"abc": [0.19506518, 0.69433053, 0.12726779], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.556024677932627, 1.6269780012470672, 13.388787650293065]}, {"abc": [0.85409604, 0.37750399, 0.46312428], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.6155649866660555, 6.647853707049478, 18.540300080120666]}, {"abc": [0.87248493, 0.3958859, 0.94484241], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.171234314360202, 9.171762919948556, 19.09391918495338]}, {"abc": [0.55559168, 0.05507827, 0.26666785], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0012183396040486, 4.149786828445384, 9.192926446556179]}, {"abc": [0.22381856, 0.71255703, 0.58739485], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.044054156675827, 4.094230712970225, 14.09608825401937]}, {"abc": [0.26673081, 0.12259972, 0.55584505], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.1106270416563246, 4.1513786614692645, 5.8609843310047545]}, {"abc": [0.94481131, 0.78681069, 0.87240742], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.162095881034643, 9.17135368725636, 26.067588547846608]}, {"abc": [0.58749438, 0.47606053, 0.22381419], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.177578816522935, 4.094665583026572, 16.010550823074713]}, {"abc": [0.77378052, 0.66270087, 0.53727607], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.733402664838706, 6.616835776948049, 21.624553560873267]}, {"abc": [0.46311725, 0.3052984, 0.85399618], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.60656822249472, 6.647252787936708, 11.567695166825219]}, {"abc": [0.12737662, 0.98324707, 0.19519014], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6660641793955535, 1.6282490321936782, 16.71911832840243]}, {"abc": [0.02630568, 0.53728873, 0.66244839], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.7321493827005687, 3.4761344973123176, 8.48433741657001]}, {"abc": [0.69420952, 0.19513712, 0.98323789], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6660423126308914, 8.465743042999167, 13.388180976495164]}, {"abc": [0.37774998, 0.85384776, 0.30502257], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.605326367200656, 3.446087679473881, 18.540248760156036]}, {"abc": [0.39623989, 0.87213345, 0.78666848], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.160471772550463, 5.970142215061186, 19.093940109202464]}, {"abc": [0.05478154, 0.5558837, 0.1227327], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.111130191981437, 0.8960580178635591, 9.192841523394915]}, {"abc": [0.71273162, 0.2236945, 0.47618015], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.1775976418958063, 6.000250726471609, 14.096820904281998]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "F 2 2 -1d", "number": 70, "point_group": "mmm", "symbol": "Fddd", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Y2Cr3O9\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.25416500\n_cell_length_b 7.55172811\n_cell_length_c 16.32470574\n_cell_angle_alpha 90.11463303\n_cell_angle_beta 90.16524318\n_cell_angle_gamma 90.10677344\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Y2Cr3O9\n_chemical_formula_sum 'Y8 Cr12 O36'\n_cell_volume 647.72696940\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 Y Y0 1 0.01172500 0.24758100 0.48321500 1.0\n Y Y1 1 0.01909300 0.24507000 0.81212800 1.0\n Y Y2 1 0.51075100 0.74938900 0.01736600 1.0\n Y Y3 1 0.51705000 0.75497800 0.68697300 1.0\n Y Y4 1 0.48924900 0.25061100 0.98263400 1.0\n Y Y5 1 0.48295000 0.24502200 0.31302700 1.0\n Y Y6 1 0.98090700 0.75493000 0.18787200 1.0\n Y Y7 1 0.98827500 0.75241900 0.51678500 1.0\n Cr Cr8 1 0.00000000 0.50000000 0.00000000 1.0\n Cr Cr9 1 0.99049600 0.50373900 0.33500500 1.0\n Cr Cr10 1 0.00950400 0.49626100 0.66499500 1.0\n Cr Cr11 1 0.51154300 0.50511900 0.83417000 1.0\n Cr Cr12 1 0.48845700 0.49488100 0.16583000 1.0\n Cr Cr13 1 0.50000000 0.50000000 0.50000000 1.0\n Cr Cr14 1 0.50530500 0.99034500 0.83413800 1.0\n Cr Cr15 1 0.49469500 0.00965500 0.16586200 1.0\n Cr Cr16 1 0.50000000 0.00000000 0.50000000 1.0\n Cr Cr17 1 0.00000000 0.00000000 0.00000000 1.0\n Cr Cr18 1 0.99433700 0.99038100 0.33500800 1.0\n Cr Cr19 1 0.00566300 0.00961900 0.66499200 1.0\n O O20 1 0.69198600 0.53389000 0.93665900 1.0\n O O21 1 0.72320000 0.54083700 0.26244800 1.0\n O O22 1 0.71446900 0.56475200 0.59806600 1.0\n O O23 1 0.21634400 0.43644200 0.90251100 1.0\n O O24 1 0.21987000 0.46487700 0.23974600 1.0\n O O25 1 0.18323900 0.46606500 0.56495100 1.0\n O O26 1 0.78281700 0.93734600 0.09720000 1.0\n O O27 1 0.81151300 0.96663500 0.43763400 1.0\n O O28 1 0.78470100 0.96500400 0.76396100 1.0\n O O29 1 0.30614200 0.03302900 0.06269300 1.0\n O O30 1 0.28404900 0.06140800 0.40224700 1.0\n O O31 1 0.28674200 0.03549800 0.73624700 1.0\n O O32 1 0.30801400 0.46611000 0.06334100 1.0\n O O33 1 0.28553100 0.43524800 0.40193400 1.0\n O O34 1 0.27680000 0.45916300 0.73755200 1.0\n O O35 1 0.78365600 0.56355800 0.09748900 1.0\n O O36 1 0.81676100 0.53393500 0.43504900 1.0\n O O37 1 0.78013000 0.53512300 0.76025400 1.0\n O O38 1 0.21718300 0.06265400 0.90280000 1.0\n O O39 1 0.21529900 0.03499600 0.23603900 1.0\n O O40 1 0.18848700 0.03336500 0.56236600 1.0\n O O41 1 0.69385800 0.96697100 0.93730700 1.0\n O O42 1 0.71325800 0.96450200 0.26375300 1.0\n O O43 1 0.71595100 0.93859200 0.59775300 1.0\n O O44 1 0.08271400 0.74898900 0.99232000 1.0\n O O45 1 0.07834000 0.75636700 0.32644100 1.0\n O O46 1 0.10276700 0.75183700 0.65521700 1.0\n O O47 1 0.60284200 0.24892300 0.84549200 1.0\n O O48 1 0.57221500 0.25358300 0.17144700 1.0\n O O49 1 0.58329400 0.24427800 0.50675000 1.0\n O O50 1 0.39715800 0.75107700 0.15450800 1.0\n O O51 1 0.41670600 0.75572200 0.49325000 1.0\n O O52 1 0.42778500 0.74641700 0.82855300 1.0\n O O53 1 0.91728600 0.25101100 0.00768000 1.0\n O O54 1 0.89723300 0.24816300 0.34478300 1.0\n O O55 1 0.92166000 0.24363300 0.67355900 1.0\n", "composition": {"Cr": 12.0, "O": 36.0, "Y": 8.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "Y2Cr3O9", "identifiers": {"materials_project_id": "mp-1365415"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.89957428173427, "energy_above_hull": 0.2807361257142844, "formation_energy_per_atom": -2.484335123392858, "is_stable": false, "ordering": "FiM", "theoretical": true, "total_magnetization": 3.6452325, "volume": 647.7269694036929}, "record_id": "mp-1365415", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.254165, "alpha": 90.11463302959255, "b": 7.551728112859599, "beta": 90.16524318279528, "c": 16.32470574079628, "gamma": 90.10677343777994, "matrix": [[5.254165, 0.0, 0.0], [-0.014073, 7.551715, 0.0], [-0.047081, -0.032749, 16.324605]], "pbc": [true, true, true], "volume": 647.7269694036929}, "properties": {}, "sites": [{"abc": [0.011725, 0.247581, 0.483215], "label": "Y", "properties": {"magmom": 0.006}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.03537063179700001, 1.8538363433799998, 7.888294005074999]}, {"abc": [0.019093, 0.24507, 0.812128], "label": "Y", "properties": {"magmom": -0.001}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.058633103867000005, 1.824102415178, 13.257668809439998]}, {"abc": [0.510751, 0.749389, 0.017366], "label": "Y", "properties": {"magmom": -0.002}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.672206267872, 5.658603433001, 0.28349309043]}, {"abc": [0.51705, 0.754978, 0.686973], "label": "Y", "properties": {"magmom": -0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.6736978320430005, 5.678881008493, 11.214562870664999]}, {"abc": [0.489249, 0.250611, 0.982634], "label": "Y", "properties": {"magmom": -0.002}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.5208047321280005, 1.8603625669989996, 16.04111190957]}, {"abc": [0.48295, 0.245022, 0.313027], "label": "Y", "properties": {"magmom": -0.0}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.519313167957, 1.840084991507, 5.110042129335]}, {"abc": [0.980907, 0.75493, 0.187872], "label": "Y", "properties": {"magmom": -0.001}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.134377896133, 5.694863584822, 3.06693619056]}, {"abc": [0.988275, 0.752419, 0.516785], "label": "Y", "properties": {"magmom": 0.006}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.157640368203001, 5.66512965662, 8.436310994925]}, {"abc": [0.0, 0.5, 0.0], "label": "Cr", "properties": {"magmom": 0.249}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-0.0070365, 3.7758575, 0.0]}, {"abc": [0.990496, 0.503739, 0.335005], "label": "Cr", "properties": {"magmom": 2.235}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [5.181367926488, 3.7931222836400003, 5.468824298024999]}, {"abc": [0.009504, 0.496261, 0.664995], "label": "Cr", "properties": {"magmom": 2.235}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.011643073512000009, 3.72584371636, 10.855780701974998]}, {"abc": [0.511543, 0.505119, 0.83417], "label": "Cr", "properties": {"magmom": -0.559}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.641349229138, 3.787196495755, 13.617495752849997]}, {"abc": [0.488457, 0.494881, 0.16583], "label": "Cr", "properties": {"magmom": -0.559}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.551661770862, 3.731769504245, 2.70710924715]}, {"abc": [0.5, 0.5, 0.5], "label": "Cr", "properties": {"magmom": -0.903}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.5965055, 3.759483, 8.1623025]}, {"abc": [0.505305, 0.990345, 0.834138], "label": "Cr", "properties": {"magmom": 2.219}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.6017466689620004, 7.451486006313001, 13.616973365489999]}, {"abc": [0.494695, 0.009655, 0.165862], "label": "Cr", "properties": {"magmom": 2.219}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.591264331038, 0.067479993687, 2.7076316345099998]}, {"abc": [0.5, 0.0, 0.5], "label": "Cr", "properties": {"magmom": 0.127}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.603542, -0.0163745, 8.1623025]}, {"abc": [0.0, 0.0, 0.0], "label": "Cr", "properties": {"magmom": -0.392}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.994337, 0.990381, 0.335008], "label": "Cr", "properties": {"magmom": -1.003}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [5.194700520144002, 7.468103876422999, 5.468873271839999]}, {"abc": [0.005663, 0.009619, 0.664992], "label": "Cr", "properties": {"magmom": -1.003}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-0.0016895201439999993, 0.050862123577, 10.855731728159999]}, {"abc": [0.691986, 0.53389, 0.936659], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.5841963453410006, 4.001110475759, 15.290588194695]}, {"abc": [0.7232, 0.540837, 0.262448], "label": "O", "properties": {"magmom": -0.117}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.779844614611, 4.075651975903, 4.28435993304]}, {"abc": [0.714469, 0.564752, 0.598066], "label": "O", "properties": {"magmom": -0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.7178327131430002, 4.245260086246001, 9.763191213929998]}, {"abc": [0.216344, 0.436442, 0.902511], "label": "O", "properties": {"magmom": -0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0880739041030003, 3.266329265291, 14.733135583154997]}, {"abc": [0.21987, 0.464877, 0.239746], "label": "O", "properties": {"magmom": 0.06}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1374035631030002, 3.5027671723009997, 3.9137587503299995]}, {"abc": [0.183239, 0.466065, 0.564951], "label": "O", "properties": {"magmom": -0.06}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.9296105496590001, 3.5010884711759998, 9.222601919354998]}, {"abc": [0.782817, 0.937346, 0.0972], "label": "O", "properties": {"magmom": 0.016}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.095282139347001, 7.07538664559, 1.5867516059999998]}, {"abc": [0.811513, 0.966635, 0.437634], "label": "O", "properties": {"magmom": -0.02}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.229615500936001, 7.285419953159, 7.144202184569999]}, {"abc": [0.784701, 0.965004, 0.763961], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.073399980532, 7.262416223070999, 12.471361560404999]}, {"abc": [0.306142, 0.033029, 0.062693], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6051041151800003, 0.247372461678, 1.0234384612649998]}, {"abc": [0.284049, 0.061408, 0.402247], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.472637928294, 0.45056252771699995, 6.566523387435]}, {"abc": [0.286742, 0.035498, 0.736247], "label": "O", "properties": {"magmom": -0.081}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4714269720690003, 0.243959426067, 12.018941457434998]}, {"abc": [0.308014, 0.46611, 0.063341], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.608814654659, 3.5178555242410003, 1.0340168053049998]}, {"abc": [0.285531, 0.435248, 0.401934], "label": "O", "properties": {"magmom": -0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.475178286857, 3.2737059137539997, 6.561413786069999]}, {"abc": [0.2768, 0.459163, 0.737552], "label": "O", "properties": {"magmom": -0.117}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.413166385389, 3.443314024097, 12.040245066959999]}, {"abc": [0.783656, 0.563558, 0.097489], "label": "O", "properties": {"magmom": -0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.104937095897, 4.252636734709, 1.5914694168449999]}, {"abc": [0.816761, 0.533935, 0.435049], "label": "O", "properties": {"magmom": -0.06}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.263400450341, 4.017877528824, 7.102003080645]}, {"abc": [0.78013, 0.535123, 0.760254], "label": "O", "properties": {"magmom": 0.06}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.0556074368970005, 4.016198827699, 12.410846249669998]}, {"abc": [0.217183, 0.062654, 0.9028], "label": "O", "properties": {"magmom": 0.016}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0977288606529998, 0.44357935440999996, 14.737853394]}, {"abc": [0.215299, 0.034996, 0.236039], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.119611019468, 0.256549776929, 3.8532434395949995]}, {"abc": [0.188487, 0.033365, 0.562366], "label": "O", "properties": {"magmom": -0.02}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.963395499064, 0.23354604684099997, 9.18040281543]}, {"abc": [0.693858, 0.966971, 0.937307], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.58790688482, 7.2715935383220005, 15.301166538734998]}, {"abc": [0.713258, 0.964502, 0.263753], "label": "O", "properties": {"magmom": -0.081}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.721584027931, 7.275006573932999, 4.305663542565]}, {"abc": [0.715951, 0.938592, 0.597753], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.720373071706, 7.068403472282999, 9.758081612564999]}, {"abc": [0.082714, 0.748989, 0.99232], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.37733306369299996, 5.623653978455001, 16.199232033599998]}, {"abc": [0.07834, 0.756367, 0.326441], "label": "O", "properties": {"magmom": 0.014}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.3855977645880001, 5.7011774030960005, 5.329020380804999]}, {"abc": [0.102767, 0.751837, 0.655217], "label": "O", "properties": {"magmom": -0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.4985259008770001, 5.656201048921999, 10.696158714285]}, {"abc": [0.602842, 0.248923, 0.845492], "label": "O", "properties": {"magmom": -0.012}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.124121634699, 1.8521065354369999, 13.802322930659999]}, {"abc": [0.572215, 0.253583, 0.171447], "label": "O", "properties": {"magmom": -0.063}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.994871455709, 1.909371827042, 2.7988045534349997]}, {"abc": [0.583294, 0.244278, 0.50675], "label": "O", "properties": {"magmom": -0.052}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0374268984660007, 1.82812228102, 8.27249358375]}, {"abc": [0.397158, 0.751077, 0.154508], "label": "O", "properties": {"magmom": -0.012}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0688893653010005, 5.666859464563, 2.5222820693399997]}, {"abc": [0.416706, 0.755722, 0.49325], "label": "O", "properties": {"magmom": -0.052}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.155584101534, 5.690843718979999, 8.05211141625]}, {"abc": [0.427785, 0.746417, 0.828553], "label": "O", "properties": {"magmom": -0.063}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.198139544291, 5.6095941729579994, 13.525800446564999]}, {"abc": [0.917286, 0.251011, 0.00768], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.815677936307001, 1.895312021545, 0.12537296639999998]}, {"abc": [0.897233, 0.248163, 0.344783], "label": "O", "properties": {"magmom": -0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.694485099123001, 1.862764951078, 5.6284462857149995]}, {"abc": [0.92166, 0.243633, 0.673559], "label": "O", "properties": {"magmom": 0.014}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.807413235412001, 1.817788596904, 10.995584619194998]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-P 2ybc", "number": 14, "point_group": "2/m", "symbol": "P2_1/c", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Y2Cr3O9\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77514500\n_cell_length_b 3.77514500\n_cell_length_c 11.53458800\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 Y2Cr3O9\n_chemical_formula_sum 'Y2 Cr3 O9'\n_cell_volume 164.38771585\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 Y Y0 1 0.50000000 0.50000000 0.81119100 1.0\n Y Y1 1 0.50000000 0.50000000 0.18880900 1.0\n Cr Cr2 1 0.00000000 0.00000000 0.00000000 1.0\n Cr Cr3 1 0.00000000 0.00000000 0.34751500 1.0\n Cr Cr4 1 0.00000000 0.00000000 0.65248500 1.0\n O O5 1 0.00000000 0.00000000 0.83299400 1.0\n O O6 1 0.00000000 0.00000000 0.16700600 1.0\n O O7 1 0.00000000 0.00000000 0.50000000 1.0\n O O8 1 0.00000000 0.50000000 0.00000000 1.0\n O O9 1 0.00000000 0.50000000 0.31389500 1.0\n O O10 1 0.00000000 0.50000000 0.68610500 1.0\n O O11 1 0.50000000 0.00000000 0.00000000 1.0\n O O12 1 0.50000000 0.00000000 0.31389500 1.0\n O O13 1 0.50000000 0.00000000 0.68610500 1.0\n", "composition": {"Cr": 3.0, "O": 9.0, "Y": 2.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "Y2Cr3O9", "identifiers": {"materials_project_id": "mp-1396182"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.826374015330079, "energy_above_hull": 0.44494996303571277, "formation_energy_per_atom": -2.3201212860714295, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.5346556, "volume": 164.38771585022772}, "record_id": "mp-1396182", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.775145, "alpha": 90.0, "b": 3.775145, "beta": 90.0, "c": 11.534588, "gamma": 90.0, "matrix": [[3.775145, 0.0, 0.0], [0.0, 3.775145, 0.0], [0.0, 0.0, 11.534588]], "pbc": [true, true, true], "volume": 164.38771585022772}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.811191], "label": "Y", "properties": {"magmom": 0.011}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.8875725, 1.8875725, 9.356753974307999]}, {"abc": [0.5, 0.5, 0.188809], "label": "Y", "properties": {"magmom": 0.011}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.8875725, 1.8875725, 2.177834025692]}, {"abc": [0.0, 0.0, 0.0], "label": "Cr", "properties": {"magmom": -0.044}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.0, 0.0, 0.347515], "label": "Cr", "properties": {"magmom": 0.787}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0, 0.0, 4.00844234882]}, {"abc": [0.0, 0.0, 0.652485], "label": "Cr", "properties": {"magmom": 0.787}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0, 0.0, 7.526145651179999]}, {"abc": [0.0, 0.0, 0.832994], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 9.608242596472]}, {"abc": [0.0, 0.0, 0.167006], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 1.9263454035279997]}, {"abc": [0.0, 0.0, 0.5], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 5.767294]}, {"abc": [0.0, 0.5, 0.0], "label": "O", "properties": {"magmom": -0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.8875725, 0.0]}, {"abc": [0.0, 0.5, 0.313895], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.8875725, 3.6206495002599994]}, {"abc": [0.0, 0.5, 0.686105], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.8875725, 7.9139384997399995]}, {"abc": [0.5, 0.0, 0.0], "label": "O", "properties": {"magmom": 0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8875725, 0.0, 0.0]}, {"abc": [0.5, 0.0, 0.313895], "label": "O", "properties": {"magmom": 0.035}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8875725, 0.0, 3.6206495002599994]}, {"abc": [0.5, 0.0, 0.686105], "label": "O", "properties": {"magmom": 0.035}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8875725, 0.0, 7.9139384997399995]}], "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_Y2Cr3O9\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.25416487\n_cell_length_b 16.32470503\n_cell_length_c 7.55172796\n_cell_angle_alpha 89.88536860\n_cell_angle_beta 89.89322552\n_cell_angle_gamma 90.16524700\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Y2Cr3O9\n_chemical_formula_sum 'Y8 Cr12 O36'\n_cell_volume 647.72691213\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 Y Y0 1 0.01175000 0.64983800 0.75231600 1.0\n Y Y1 1 0.01911900 0.97875200 0.75482800 1.0\n Y Y2 1 0.51077600 0.18398900 0.25050900 1.0\n Y Y3 1 0.51707500 0.85359600 0.24492000 1.0\n Y Y4 1 0.48887600 0.14946600 0.74979300 1.0\n Y Y5 1 0.48302800 0.47987200 0.75142400 1.0\n Y Y6 1 0.97995700 0.35454800 0.24788100 1.0\n Y Y7 1 0.98830000 0.68340900 0.24747900 1.0\n Cr Cr8 1 0.00047700 0.16636300 0.49991500 1.0\n Cr Cr9 1 0.99052200 0.50162800 0.49615900 1.0\n Cr Cr10 1 0.01167400 0.83080200 0.50374600 1.0\n Cr Cr11 1 0.51156900 0.00079300 0.49477900 1.0\n Cr Cr12 1 0.49236200 0.33285200 0.50868900 1.0\n Cr Cr13 1 0.50042100 0.66656900 0.49981500 1.0\n Cr Cr14 1 0.50533000 0.00076200 0.00955300 1.0\n Cr Cr15 1 0.49034800 0.33275200 0.99413300 1.0\n Cr Cr16 1 0.49955300 0.66665100 0.99977500 1.0\n Cr Cr17 1 0.99919900 0.16672300 0.99982200 1.0\n Cr Cr18 1 0.99436200 0.50163200 0.00951700 1.0\n Cr Cr19 1 0.00394300 0.83204400 0.98985900 1.0\n O O20 1 0.69201100 0.10328200 0.46600800 1.0\n O O21 1 0.72322500 0.42907200 0.45906100 1.0\n O O22 1 0.71449400 0.76468900 0.43514600 1.0\n O O23 1 0.21637000 0.06913500 0.56345600 1.0\n O O24 1 0.21989500 0.40637000 0.53502100 1.0\n O O25 1 0.18326400 0.73157400 0.53383300 1.0\n O O26 1 0.78284300 0.26382400 0.06255200 1.0\n O O27 1 0.81153800 0.60425700 0.03326300 1.0\n O O28 1 0.78472600 0.93058500 0.03489300 1.0\n O O29 1 0.30616700 0.22931600 0.96686900 1.0\n O O30 1 0.28407400 0.56887100 0.93849000 1.0\n O O31 1 0.28676700 0.90287000 0.96439900 1.0\n O O32 1 0.30624600 0.22833100 0.53362000 1.0\n O O33 1 0.28616100 0.56936800 0.56467800 1.0\n O O34 1 0.27477400 0.90584700 0.54074700 1.0\n O O35 1 0.78244800 0.26413800 0.43775600 1.0\n O O36 1 0.81888200 0.60206800 0.46681000 1.0\n O O37 1 0.77450500 0.92697800 0.46370100 1.0\n O O38 1 0.21736500 0.06962600 0.93805300 1.0\n O O39 1 0.22098900 0.40357000 0.96426000 1.0\n O O40 1 0.18877600 0.72881500 0.96708500 1.0\n O O41 1 0.69564100 0.10528100 0.03349200 1.0\n O O42 1 0.71400200 0.42902000 0.03590500 1.0\n O O43 1 0.71645400 0.76410100 0.06133600 1.0\n O O44 1 0.08273900 0.15894300 0.25090900 1.0\n O O45 1 0.07836500 0.49306500 0.24353100 1.0\n O O46 1 0.10279200 0.82184000 0.24806100 1.0\n O O47 1 0.60286700 0.01211600 0.75097500 1.0\n O O48 1 0.57224000 0.33807000 0.74631500 1.0\n O O49 1 0.58331900 0.67337400 0.75562000 1.0\n O O50 1 0.39687100 0.32136200 0.25114900 1.0\n O O51 1 0.41711600 0.65987400 0.24445400 1.0\n O O52 1 0.42694400 0.99495700 0.24660700 1.0\n O O53 1 0.91661800 0.17442200 0.74908500 1.0\n O O54 1 0.89751900 0.51136900 0.75249000 1.0\n O O55 1 0.92235300 0.83991100 0.75545700 1.0\n", "composition": {"Cr": 12.0, "O": 36.0, "Y": 8.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "Y2Cr3O9", "identifiers": {"materials_project_id": "mp-1659341"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.01089999999999991, "density": 4.899574714948212, "energy_above_hull": 0.12069239482142713, "formation_energy_per_atom": -2.6443788542857143, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 23.9995922, "volume": 647.7269121325276}, "record_id": "mp-1659341", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.2541648696038274, "alpha": 89.88536860234414, "b": 16.324705033199347, "beta": 89.893225520304, "c": 7.551727961171337, "gamma": 90.16524700074694, "matrix": [[5.254157, -0.007669, 0.004887], [-0.02327, 16.32468, 0.016608], [0.00706, 0.007436, 7.551721]], "pbc": [true, true, true], "volume": 647.7269121325276}, "properties": {}, "sites": [{"abc": [0.01175, 0.649838, 0.752316], "label": "Y", "properties": {"magmom": 0.01}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.05192596545000001, 10.613901512866002, 5.692130467589999]}, {"abc": [0.019119, 0.978752, 0.754828], "label": "Y", "properties": {"magmom": 0.008}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.08300775432300002, 15.983279476757, 5.716599006757]}, {"abc": [0.510776, 0.183989, 0.250509], "label": "Y", "properties": {"magmom": 0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.681184465342, 3.0015071923000005, 1.897325927613]}, {"abc": [0.517075, 0.853596, 0.24492], "label": "Y", "properties": {"magmom": 0.009}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.698659187055, 13.932537326225, 1.866270975213]}, {"abc": [0.488876, 0.149466, 0.749793], "label": "Y", "properties": {"magmom": 0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.570446722292, 2.4418108915839998, 5.667099012093001]}, {"abc": [0.483028, 0.479872, 0.751424], "label": "Y", "properties": {"magmom": 0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.5320433793959998, 7.835640088092, 5.684874672716]}, {"abc": [0.979957, 0.354548, 0.247881], "label": "Y", "properties": {"magmom": 0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.1423476391489995, 5.782210597523, 1.882605536244]}, {"abc": [0.9883, 0.683409, 0.247479], "label": "Y", "properties": {"magmom": 0.01}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.178527637409999, 11.150694215264002, 1.885072240131]}, {"abc": [0.000477, 0.166363, 0.499915], "label": "Cr", "properties": {"magmom": 2.195}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.002164365779, 2.7195364486670006, 3.7779838915179997]}, {"abc": [0.990522, 0.501628, 0.496159], "label": "Cr", "properties": {"magmom": 2.184}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [5.196188098934001, 8.185009704146, 3.760026058477]}, {"abc": [0.011674, 0.830802, 0.503746], "label": "Cr", "properties": {"magmom": 2.214}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.045560713038, 13.56623312071, 3.8180042573199997]}, {"abc": [0.511569, 0.000793, 0.494779], "label": "Cr", "properties": {"magmom": 2.234}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.6913385289630005, 0.012701425223000001, 3.738946172506]}, {"abc": [0.492362, 0.332852, 0.508689], "label": "Cr", "properties": {"magmom": 2.152}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.5827931271340008, 5.433709074586, 3.849411582878999]}, {"abc": [0.500421, 0.666569, 0.499815], "label": "Cr", "properties": {"magmom": 2.63}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.6173081333669996, 10.881404518611001, 3.787979366994]}, {"abc": [0.50533, 0.000762, 0.009553], "label": "Cr", "properties": {"magmom": 2.137}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.65513286925, 0.008635066498, 0.07462379371899999]}, {"abc": [0.490348, 0.332752, 0.994133], "label": "Cr", "properties": {"magmom": 2.19}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.575640816576, 5.435701813536, 7.515337728785]}, {"abc": [0.499553, 0.666651, 0.999775], "label": "Cr", "properties": {"magmom": 2.185}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.616275334551, 10.886467501623, 7.563534918093999]}, {"abc": [0.999199, 0.166723, 0.999822], "label": "Cr", "properties": {"magmom": 2.182}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [5.253127519353, 2.7214714429010005, 7.558028814758999]}, {"abc": [0.994362, 0.501632, 0.009517], "label": "Cr", "properties": {"magmom": 2.118}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [5.212928276214001, 8.181426883994, 0.085060280107]}, {"abc": [0.003943, 0.832044, 0.989859], "label": "Cr", "properties": {"magmom": 2.116}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.008343881711000003, 13.590182398577001, 7.488976853532]}, {"abc": [0.692011, 0.103282, 0.466008], "label": "O", "properties": {"magmom": -0.067}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6368210840670003, 1.684203802889, 3.5242595649809996]}, {"abc": [0.723225, 0.429072, 0.459061], "label": "O", "properties": {"magmom": -0.115}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.793194161545, 7.002330262031, 3.477361022332]}, {"abc": [0.714494, 0.764689, 0.435146], "label": "O", "properties": {"magmom": -0.056}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.739341469288, 12.48105951569, 3.302292873356]}, {"abc": [0.21637, 0.069135, 0.563456], "label": "O", "properties": {"magmom": -0.039}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.139211178, 1.1311372690860002, 4.257268102046]}, {"abc": [0.219895, 0.40637, 0.535021], "label": "O", "properties": {"magmom": -0.112}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.149683871875, 6.636152253001001, 4.048152940966]}, {"abc": [0.183264, 0.731574, 0.533833], "label": "O", "properties": {"magmom": -0.068}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.9496429624480001, 11.945275576892, 4.044403468753]}, {"abc": [0.782843, 0.263824, 0.062552], "label": "O", "properties": {"magmom": -0.029}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.107482460990999, 4.301303890025, 0.480582594725]}, {"abc": [0.811538, 0.604257, 0.033263], "label": "O", "properties": {"magmom": -0.064}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.250121839855999, 9.858325821506002, 0.265194382085]}, {"abc": [0.784726, 0.930585, 0.034893], "label": "O", "properties": {"magmom": -0.088}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.101665237612, 15.185743738454, 0.282792312495]}, {"abc": [0.306167, 0.229316, 0.966869], "label": "O", "properties": {"magmom": -0.078}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6101393980390002, 3.748351962041, 7.306829649806]}, {"abc": [0.284074, 0.568871, 0.93849], "label": "O", "properties": {"magmom": -0.038}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.485957506848, 9.291437084414, 7.098050720496]}, {"abc": [0.286767, 0.90287, 0.964399], "label": "O", "properties": {"magmom": -0.068}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4925177124590001, 14.744035886440999, 7.299268475968]}, {"abc": [0.306246, 0.228331, 0.53362], "label": "O", "properties": {"magmom": -0.059}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6075186594520001, 3.7290499068260003, 4.035038105469999]}, {"abc": [0.286161, 0.569368, 0.564678], "label": "O", "properties": {"magmom": -0.052}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.494272254597, 9.296754779139, 4.275145243389]}, {"abc": [0.274774, 0.905847, 0.540747], "label": "O", "properties": {"magmom": -0.147}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4264443496480002, 14.789576156846001, 4.099957603101]}, {"abc": [0.782448, 0.264138, 0.437756], "label": "O", "properties": {"magmom": -0.039}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.108048702436, 4.309222885744, 3.3140218053559996]}, {"abc": [0.818882, 0.602068, 0.46681], "label": "O", "properties": {"magmom": -0.061}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.291820148714, 9.825758631342, 3.539219901688]}, {"abc": [0.774505, 0.926978, 0.463701], "label": "O", "properties": {"magmom": -0.185}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.051073818285, 15.130127618831, 3.5209208359799993]}, {"abc": [0.217365, 0.069626, 0.938053], "label": "O", "properties": {"magmom": -0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1470722934650002, 1.1419305596029998, 7.086133150576]}, {"abc": [0.220989, 0.40357, 0.96426], "label": "O", "properties": {"magmom": -0.137}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.158527502973, 6.593626580319, 7.289604955263]}, {"abc": [0.188776, 0.728815, 0.967085], "label": "O", "properties": {"magmom": -0.064}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.9817268368820001, 11.903415175115999, 7.316182811117]}, {"abc": [0.695641, 0.105281, 0.033492], "label": "O", "properties": {"magmom": -0.074}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6527935942869996, 1.713592810763, 0.25807034414700003]}, {"abc": [0.714002, 0.42902, 0.035905], "label": "O", "properties": {"magmom": -0.079}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.7417488002140002, 6.998405521842001, 0.28175903443899997]}, {"abc": [0.716454, 0.764101, 0.061336], "label": "O", "properties": {"magmom": -0.032}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.7470142011680005, 12.46866592145, 0.479383859362]}, {"abc": [0.082739, 0.158943, 0.250909], "label": "O", "properties": {"magmom": -0.088}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.43279650995299995, 2.5959248471730003, 1.897838835226]}, {"abc": [0.078365, 0.493065, 0.243531], "label": "O", "properties": {"magmom": -0.094}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.401987719615, 8.050338259531, 1.847649960126]}, {"abc": [0.102792, 0.82184, 0.248061], "label": "O", "properties": {"magmom": -0.032}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.522712400204, 13.417331280948002, 1.887438926205]}, {"abc": [0.602867, 0.012116, 0.750975], "label": "O", "properties": {"magmom": -0.031}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.172577812299, 0.19875068595700002, 5.6743011115319995]}, {"abc": [0.57224, 0.33807, 0.746315], "label": "O", "properties": {"magmom": -0.081}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.00404089668, 5.52004565738, 5.644373861554999]}, {"abc": [0.583319, 0.673374, 0.75562], "label": "O", "properties": {"magmom": -0.137}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0545148713030006, 10.993760387229, 5.720265497364999]}, {"abc": [0.396871, 0.321362, 0.251149], "label": "O", "properties": {"magmom": -0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.079517560947, 5.244955754425, 1.903883866102]}, {"abc": [0.417116, 0.659874, 0.244454], "label": "O", "properties": {"magmom": -0.145}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.177963528472, 10.77085078766, 1.859046038618]}, {"abc": [0.426944, 0.994957, 0.246607], "label": "O", "properties": {"magmom": -0.083}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.221819202238, 16.240914174876, 1.880917981831]}, {"abc": [0.916618, 0.174422, 0.749085], "label": "O", "properties": {"magmom": -0.089}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.817284621185999, 2.845923987578, 5.664257238027]}, {"abc": [0.897519, 0.511369, 0.75249], "label": "O", "properties": {"magmom": -0.029}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.709118759252999, 8.346647729349, 5.695473526994999]}, {"abc": [0.922353, 0.839911, 0.755457], "label": "O", "properties": {"magmom": -0.09}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.831976268871001, 13.709822356575, 5.723457272496001]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "-P 1", "number": 2, "point_group": "-1", "symbol": "P-1", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCr2O2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 9.47700450\n_cell_length_b 9.47700450\n_cell_length_c 9.47700450\n_cell_angle_alpha 140.52437362\n_cell_angle_beta 140.52437362\n_cell_angle_gamma 57.05797099\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCr2O2\n_chemical_formula_sum 'Y4 Cr8 O8'\n_cell_volume 341.15913959\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 Y Y0 1 0.87500000 0.12500000 0.25000000 1.0\n Y Y1 1 0.87500000 0.62500000 0.75000000 1.0\n Y Y2 1 0.37500000 0.12500000 0.25000000 1.0\n Y Y3 1 0.87500000 0.12500000 0.75000000 1.0\n Cr Cr4 1 0.45641400 0.18493000 0.72851600 1.0\n Cr Cr5 1 0.45641400 0.72789900 0.27148400 1.0\n Cr Cr6 1 0.47789900 0.70641400 0.77148400 1.0\n Cr Cr7 1 0.29358600 0.52210100 0.22851600 1.0\n Cr Cr8 1 0.29358600 0.06507000 0.77148400 1.0\n Cr Cr9 1 0.93493000 0.70641400 0.22851600 1.0\n Cr Cr10 1 0.27210100 0.54358600 0.72851600 1.0\n Cr Cr11 1 0.81507000 0.54358600 0.27148400 1.0\n O O12 1 0.58699500 0.32152400 0.73453000 1.0\n O O13 1 0.58699500 0.85246500 0.26547000 1.0\n O O14 1 0.60246500 0.83699500 0.76547000 1.0\n O O15 1 0.16300500 0.39753500 0.23453000 1.0\n O O16 1 0.16300500 0.92847600 0.76547000 1.0\n O O17 1 0.07152400 0.83699500 0.23453000 1.0\n O O18 1 0.14753500 0.41300500 0.73453000 1.0\n O O19 1 0.67847600 0.41300500 0.26547000 1.0\n", "composition": {"Cr": 8.0, "O": 8.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCr2O2", "identifiers": {"materials_project_id": "mp-1208171"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.3786018027080456, "energy_above_hull": 1.061119165583337, "formation_energy_per_atom": -1.3205090255000003, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 39.9999377, "volume": 341.15913958750224}, "record_id": "mp-1208171", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 9.477004496969862, "alpha": 140.52437362208227, "b": 9.477004496969862, "beta": 140.5243736220822, "c": 9.477004496969862, "gamma": 57.05797098757723, "matrix": [[-3.200541, 3.200541, -8.326265], [3.200541, -3.200541, -8.326265], [-3.200541, -3.200541, 8.326265]], "pbc": [true, true, true], "volume": 341.15913958750224}, "properties": {}, "sites": [{"abc": [0.875, 0.125, 0.25], "label": "Y", "properties": {"magmom": 0.09}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-3.2005409999999994, 1.6002704999999997, -6.2446987499999995]}, {"abc": [0.875, 0.625, 0.75], "label": "Y", "properties": {"magmom": 0.09}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-3.200541, -1.6002705000000002, -6.2446987499999995]}, {"abc": [0.375, 0.125, 0.25], "label": "Y", "properties": {"magmom": 0.09}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-1.6002705000000002, 1.1102230246251565e-16, -2.08156625]}, {"abc": [0.875, 0.125, 0.75], "label": "Y", "properties": {"magmom": 0.09}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-4.8008115, -4.440892098500626e-16, -2.08156625]}, {"abc": [0.456414, 0.18493, 0.728516], "label": "Cr", "properties": {"magmom": 4.378}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-3.200541, -1.4627496543120002, 0.7258171725800011]}, {"abc": [0.456414, 0.727899, 0.271484], "label": "Cr", "properties": {"magmom": 4.378}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.200541000114576e-06, -1.7377945462289999, -7.600456153684999]}, {"abc": [0.477899, 0.706414, 0.771484], "label": "Cr", "properties": {"magmom": 4.377}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-1.7377945462289999, -3.200537799458999, -3.4373236536850005]}, {"abc": [0.293586, 0.522101, 0.228516], "label": "Cr", "properties": {"magmom": 4.377}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-3.2005409998925316e-06, -1.462746453771, -4.888941346315]}, {"abc": [0.293586, 0.06507, 0.771484], "label": "Cr", "properties": {"magmom": 4.377}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-3.2005409999999994, -1.7377913456879996, 3.4373153274199986]}, {"abc": [0.93493, 0.706414, 0.228516], "label": "Cr", "properties": {"magmom": 4.377}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-1.4627496543120002, 3.3306690738754696e-16, -11.763580327420001]}, {"abc": [0.272101, 0.543586, 0.728516], "label": "Cr", "properties": {"magmom": 4.378}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-1.462746453771, -3.200544200541, -0.7258088463149992]}, {"abc": [0.81507, 0.543586, 0.271484], "label": "Cr", "properties": {"magmom": 4.378}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-1.7377913456879996, -1.1102230246251565e-16, -9.052082172579997]}, {"abc": [0.586995, 0.321524, 0.73453], "label": "O", "properties": {"magmom": 0.07}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.2005442005410005, -1.5012425609189999, -1.4486785210849993]}, {"abc": [0.586995, 0.852465, 0.26547], "label": "O", "properties": {"magmom": 0.069}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.1102230246251565e-16, -1.6992952385399995, -9.77495184735]}, {"abc": [0.602465, 0.836995, 0.76547], "label": "O", "properties": {"magmom": 0.069}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.69929523854, -3.200541, -5.611819347350001]}, {"abc": [0.163005, 0.397535, 0.23453], "label": "O", "properties": {"magmom": 0.069}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, -1.5012457614599999, -2.7144456526500003]}, {"abc": [0.163005, 0.928476, 0.76547], "label": "O", "properties": {"magmom": 0.069}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.2005409997815093e-06, -4.899839439080999, -2.7144539789150004]}, {"abc": [0.071524, 0.836995, 0.23453], "label": "O", "properties": {"magmom": 0.069}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6992984390809998, -3.2005442005409996, -5.611811021085]}, {"abc": [0.147535, 0.413005, 0.73453], "label": "O", "properties": {"magmom": 0.069}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.5012457614599999, -3.2005410000000003, 1.4486868473499994]}, {"abc": [0.678476, 0.413005, 0.26547], "label": "O", "properties": {"magmom": 0.07}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.6992984390809998, 3.2005409998925316e-06, -6.877586478915]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "I 4bw 2bw -1bw", "number": 141, "point_group": "4/mmm", "symbol": "I4_1/amd", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCr2O4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.33969080\n_cell_length_b 6.33969080\n_cell_length_c 6.33969131\n_cell_angle_alpha 60.41311082\n_cell_angle_beta 60.41311082\n_cell_angle_gamma 60.41311487\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCr2O4\n_chemical_formula_sum 'Y2 Cr4 O8'\n_cell_volume 181.85591450\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 Y Y0 1 0.62184300 0.62184300 0.62184300 1.0\n Y Y1 1 0.37815700 0.37815700 0.37815700 1.0\n Cr Cr2 1 0.50000000 0.00000000 0.00000000 1.0\n Cr Cr3 1 0.00000000 0.00000000 0.00000000 1.0\n Cr Cr4 1 0.00000000 0.50000000 0.00000000 1.0\n Cr Cr5 1 0.00000000 0.00000000 0.50000000 1.0\n O O6 1 0.76340500 0.20302300 0.76340500 1.0\n O O7 1 0.23659500 0.23659500 0.79697700 1.0\n O O8 1 0.79697700 0.23659500 0.23659500 1.0\n O O9 1 0.24028700 0.24028700 0.24028700 1.0\n O O10 1 0.76340500 0.76340500 0.20302300 1.0\n O O11 1 0.23659500 0.79697700 0.23659500 1.0\n O O12 1 0.20302300 0.76340500 0.76340500 1.0\n O O13 1 0.75971300 0.75971300 0.75971300 1.0\n", "composition": {"Cr": 4.0, "O": 8.0, "Y": 2.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCr2O4", "identifiers": {"materials_project_id": "mp-1388393"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.691464279727501, "energy_above_hull": 0.19286910011904368, "formation_energy_per_atom": -2.6498989285714276, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 13.9999627, "volume": 181.85591449728608}, "record_id": "mp-1388393", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.339690801831269, "alpha": 60.413110821934694, "b": 6.339690801831269, "beta": 60.413110821934694, "c": 6.339691313485933, "gamma": 60.41311487113686, "matrix": [[5.47887, -3.189618, 0.0], [5.47887, 3.189618, 0.0], [3.62198, 0.0, 5.203167]], "pbc": [true, true, true], "volume": 181.85591449728608}, "properties": {}, "sites": [{"abc": [0.621843, 0.621843, 0.621843], "label": "Y", "properties": {"magmom": 0.068}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [9.06629682396, 0.0, 3.235552976781]}, {"abc": [0.378157, 0.378157, 0.378157], "label": "Y", "properties": {"magmom": 0.068}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.51342317604, 0.0, 1.967614023219]}, {"abc": [0.5, 0.0, 0.0], "label": "Cr", "properties": {"magmom": 3.452}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.739435, -1.594809, 0.0]}, {"abc": [0.0, 0.0, 0.0], "label": "Cr", "properties": {"magmom": 3.317}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.0, 0.5, 0.0], "label": "Cr", "properties": {"magmom": 3.452}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.739435, 1.594809, 0.0]}, {"abc": [0.0, 0.0, 0.5], "label": "Cr", "properties": {"magmom": 3.452}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.81099, 0.0, 2.6015835]}, {"abc": [0.763405, 0.203023, 0.763405], "label": "O", "properties": {"magmom": -0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.05997101826, -1.787404514076, 3.972123703635]}, {"abc": [0.236595, 0.236595, 0.796977], "label": "O", "properties": {"magmom": -0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.47918124976, 0.0, 4.146804426159]}, {"abc": [0.796977, 0.236595, 0.236595], "label": "O", "properties": {"magmom": -0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.51974898174, -1.787404514076, 1.231043296365]}, {"abc": [0.240287, 0.240287, 0.240287], "label": "O", "properties": {"magmom": -0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.50331717964, 0.0, 1.250253388929]}, {"abc": [0.763405, 0.763405, 0.203023], "label": "O", "properties": {"magmom": -0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.100538750239998, 0.0, 1.056362573841]}, {"abc": [0.236595, 0.796977, 0.236595], "label": "O", "properties": {"magmom": -0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.51974898174, 1.787404514076, 1.231043296365]}, {"abc": [0.203023, 0.763405, 0.763405], "label": "O", "properties": {"magmom": -0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.05997101826, 1.787404514076, 3.972123703635]}, {"abc": [0.759713, 0.759713, 0.759713], "label": "O", "properties": {"magmom": -0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.07640282036, 0.0, 3.9529136110709997]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-R 3 2\"", "number": 166, "point_group": "-3m", "symbol": "R-3m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCr2O4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.45065776\n_cell_length_b 6.45065776\n_cell_length_c 6.45065776\n_cell_angle_alpha 126.72315348\n_cell_angle_beta 126.72315348\n_cell_angle_gamma 78.70280137\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCr2O4\n_chemical_formula_sum 'Y2 Cr4 O8'\n_cell_volume 166.89954268\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 Y Y0 1 0.00000000 0.00000000 0.00000000 1.0\n Y Y1 1 0.75000000 0.25000000 0.50000000 1.0\n Cr Cr2 1 0.87500000 0.62500000 0.25000000 1.0\n Cr Cr3 1 0.37500000 0.62500000 0.75000000 1.0\n Cr Cr4 1 0.37500000 0.12500000 0.75000000 1.0\n Cr Cr5 1 0.37500000 0.62500000 0.25000000 1.0\n O O6 1 0.41565200 0.85594400 0.15956400 1.0\n O O7 1 0.69638000 0.25608800 0.84043600 1.0\n O O8 1 0.33434800 0.39405600 0.34043600 1.0\n O O9 1 0.05362000 0.99391200 0.65956400 1.0\n O O10 1 0.00608800 0.66565200 0.05970800 1.0\n O O11 1 0.60594400 0.94638000 0.94029200 1.0\n O O12 1 0.14405600 0.30362000 0.55970800 1.0\n O O13 1 0.74391200 0.58434800 0.44029200 1.0\n", "composition": {"Cr": 4.0, "O": 8.0, "Y": 2.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCr2O4", "identifiers": {"materials_project_id": "mp-1388764"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.111880555195615, "energy_above_hull": 0.2222046558333286, "formation_energy_per_atom": -2.6205633728571422, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 14.0000025, "volume": 166.8995426847465}, "record_id": "mp-1388764", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.450657763271045, "alpha": 126.72315348196194, "b": 6.450657763271045, "beta": 126.72315348196194, "c": 6.450657763271045, "gamma": 78.70280137385808, "matrix": [[-2.892208, 2.892208, 4.988111], [2.892208, -2.892208, 4.988111], [2.892208, 2.892208, -4.988111]], "pbc": [true, true, true], "volume": 166.8995426847465}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Y", "properties": {"magmom": 0.029}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.75, 0.25, 0.5], "label": "Y", "properties": {"magmom": 0.029}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 2.892208, 2.4940555]}, {"abc": [0.875, 0.625, 0.25], "label": "Cr", "properties": {"magmom": 3.332}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0, 1.446104, 6.23513875]}, {"abc": [0.375, 0.625, 0.75], "label": "Cr", "properties": {"magmom": 3.332}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.892208, 1.446104, 1.24702775]}, {"abc": [0.375, 0.125, 0.75], "label": "Cr", "properties": {"magmom": 3.332}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.446104, 2.892208, -1.24702775]}, {"abc": [0.375, 0.625, 0.25], "label": "Cr", "properties": {"magmom": 3.332}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.446104, 0.0, 3.74108325]}, {"abc": [0.415652, 0.855944, 0.159564], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.734908322048, -0.8119237674239999, 5.546939051552]}, {"abc": [0.69638, 0.256088, 0.840436], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1572996779519995, 3.704131767424, 0.5588280515520001]}, {"abc": [0.334348, 0.394056, 0.340436], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1572996779520004, 0.811923767424, 1.9352274484479999]}, {"abc": [0.05362, 0.993912, 0.659564], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.627116322048001, -0.8119237674240003, 1.9352274484479999]}, {"abc": [0.006088, 0.665652, 0.059708], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.080284232576, -1.7349083220480002, 3.052883551552]}, {"abc": [0.605944, 0.94638, 0.940292], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.704131767424, 1.734908322048, 3.052883551552]}, {"abc": [0.144056, 0.30362, 0.559708], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.080284232576, 1.157299677952, -0.5588280515519997]}, {"abc": [0.743912, 0.584348, 0.440292], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8119237674239999, 1.7349083220480004, 4.429282948448]}], "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"}}}
	{"cif": "# generated using pymatgen\ndata_YCr3O6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.19702245\n_cell_length_b 6.19702245\n_cell_length_c 15.14509400\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000481\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCr3O6\n_chemical_formula_sum 'Y4 Cr12 O24'\n_cell_volume 503.69625613\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 Y Y0 1 0.00000000 0.00000000 0.62914900 1.0\n Y Y1 1 0.33333300 0.66666700 0.94773700 1.0\n Y Y2 1 0.00000000 0.00000000 0.37085100 1.0\n Y Y3 1 0.66666700 0.33333300 0.05226300 1.0\n Cr Cr4 1 0.34380600 0.17190300 0.83133400 1.0\n Cr Cr5 1 0.00000000 0.50000000 0.50000000 1.0\n Cr Cr6 1 0.65619400 0.82809700 0.16866600 1.0\n Cr Cr7 1 0.82809700 0.17190300 0.83133400 1.0\n Cr Cr8 1 0.50000000 0.50000000 0.50000000 1.0\n Cr Cr9 1 0.17190300 0.82809700 0.16866600 1.0\n Cr Cr10 1 0.66666700 0.33333300 0.67094500 1.0\n Cr Cr11 1 0.33333300 0.66666700 0.32905500 1.0\n Cr Cr12 1 0.00000000 0.00000000 0.00000000 1.0\n Cr Cr13 1 0.82809700 0.65619400 0.83133400 1.0\n Cr Cr14 1 0.50000000 0.00000000 0.50000000 1.0\n Cr Cr15 1 0.17190300 0.34380600 0.16866600 1.0\n O O16 1 0.00000000 0.00000000 0.77034200 1.0\n O O17 1 0.66666700 0.33333300 0.43876500 1.0\n O O18 1 0.33333300 0.66666700 0.09265900 1.0\n O O19 1 0.52630800 0.05261600 0.75991800 1.0\n O O20 1 0.18916600 0.37833100 0.42079800 1.0\n O O21 1 0.85918800 0.71837600 0.08646800 1.0\n O O22 1 0.94738400 0.47369200 0.75991800 1.0\n O O23 1 0.62166900 0.81083400 0.42079800 1.0\n O O24 1 0.28162400 0.14081200 0.08646800 1.0\n O O25 1 0.52630800 0.47369200 0.75991800 1.0\n O O26 1 0.18916600 0.81083400 0.42079800 1.0\n O O27 1 0.85918800 0.14081200 0.08646800 1.0\n O O28 1 0.81083400 0.62166900 0.57920200 1.0\n O O29 1 0.47369200 0.94738400 0.24008200 1.0\n O O30 1 0.14081200 0.28162400 0.91353200 1.0\n O O31 1 0.33333300 0.66666700 0.56123500 1.0\n O O32 1 0.00000000 0.00000000 0.22965800 1.0\n O O33 1 0.66666700 0.33333300 0.90734100 1.0\n O O34 1 0.37833100 0.18916600 0.57920200 1.0\n O O35 1 0.05261600 0.52630800 0.24008200 1.0\n O O36 1 0.71837600 0.85918800 0.91353200 1.0\n O O37 1 0.81083400 0.18916600 0.57920200 1.0\n O O38 1 0.47369200 0.52630800 0.24008200 1.0\n O O39 1 0.14081200 0.85918800 0.91353200 1.0\n", "composition": {"Cr": 12.0, "O": 24.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCr3O6", "identifiers": {"materials_project_id": "mp-1045038"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.5385999999999997, "density": 4.495265308096679, "energy_above_hull": 0.1181045562499925, "formation_energy_per_atom": -2.6606956534999995, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 35.9993487, "volume": 503.69625613069803}, "record_id": "mp-1045038", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.197022450496851, "alpha": 90.0, "b": 6.197022450496851, "beta": 90.0, "c": 15.145094, "gamma": 120.0000048095084, "matrix": [[3.098511, -5.366779, 0.0], [3.098511, 5.366779, 0.0], [0.0, 0.0, 15.145094]], "pbc": [true, true, true], "volume": 503.69625613069803}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.629149], "label": "Y", "properties": {"magmom": 0.022}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 9.528520745006]}, {"abc": [0.333333, 0.666667, 0.947737], "label": "Y", "properties": {"magmom": 0.019}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.098511, 1.788929911186, 14.353565952278002]}, {"abc": [0.0, 0.0, 0.370851], "label": "Y", "properties": {"magmom": 0.022}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 5.616573254994]}, {"abc": [0.666667, 0.333333, 0.052263], "label": "Y", "properties": {"magmom": 0.019}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.098511, -1.788929911186, 0.7915280477219999]}, {"abc": [0.343806, 0.171903, 0.831334], "label": "Cr", "properties": {"magmom": 2.995}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.597930009299, -0.922565410437, 12.590631575396001]}, {"abc": [0.0, 0.5, 0.5], "label": "Cr", "properties": {"magmom": 2.993}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.5492555, 2.6833895, 7.572547]}, {"abc": [0.656194, 0.828097, 0.168666], "label": "Cr", "properties": {"magmom": 2.995}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [4.599091990701, 0.9225654104369991, 2.5544624246040004]}, {"abc": [0.828097, 0.171903, 0.831334], "label": "Cr", "properties": {"magmom": 2.995}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.098511, -3.5216481791259997, 12.590631575396001]}, {"abc": [0.5, 0.5, 0.5], "label": "Cr", "properties": {"magmom": 2.993}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.098511, 0.0, 7.572547]}, {"abc": [0.171903, 0.828097, 0.168666], "label": "Cr", "properties": {"magmom": 2.995}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.098511, 3.5216481791259997, 2.5544624246040004]}, {"abc": [0.666667, 0.333333, 0.670945], "label": "Cr", "properties": {"magmom": 3.02}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.098511, -1.788929911186, 10.16152509383]}, {"abc": [0.333333, 0.666667, 0.329055], "label": "Cr", "properties": {"magmom": 3.02}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.098511, 1.788929911186, 4.9835689061699995]}, {"abc": [0.0, 0.0, 0.0], "label": "Cr", "properties": {"magmom": 2.952}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.828097, 0.656194, 0.831334], "label": "Cr", "properties": {"magmom": 2.995}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [4.599091990701, -0.9225654104369991, 12.590631575396001]}, {"abc": [0.5, 0.0, 0.5], "label": "Cr", "properties": {"magmom": 2.993}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.5492555, -2.6833895, 7.572547]}, {"abc": [0.171903, 0.343806, 0.168666], "label": "Cr", "properties": {"magmom": 2.995}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.597930009299, 0.922565410437, 2.5544624246040004]}, {"abc": [0.0, 0.0, 0.770342], "label": "O", "properties": {"magmom": -0.046}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 11.666902002148]}, {"abc": [0.666667, 0.333333, 0.438765], "label": "O", "properties": {"magmom": -0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.098511, -1.788929911186, 6.645137168910001]}, {"abc": [0.333333, 0.666667, 0.092659], "label": "O", "properties": {"magmom": -0.025}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.098511, 1.788929911186, 1.403329264946]}, {"abc": [0.526308, 0.052616, 0.759918], "label": "O", "properties": {"magmom": -0.05}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.793802382164, -2.542200278068, 11.509029542292]}, {"abc": [0.189166, 0.378331, 0.420798], "label": "O", "properties": {"magmom": -0.036}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7583956969669998, 1.0152067495350001, 6.373025265012]}, {"abc": [0.859188, 0.718376, 0.086468], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.888099407204, -0.7557068845479997, 1.309565987992]}, {"abc": [0.947384, 0.473692, 0.759918], "label": "O", "properties": {"magmom": -0.05}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.403219617835999, -2.542200278068, 11.509029542292]}, {"abc": [0.621669, 0.810834, 0.420798], "label": "O", "properties": {"magmom": -0.036}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.438626303033001, 1.0152067495350008, 6.373025265012]}, {"abc": [0.281624, 0.140812, 0.086468], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3089225927959998, -0.755706884548, 1.309565987992]}, {"abc": [0.526308, 0.473692, 0.759918], "label": "O", "properties": {"magmom": -0.05}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.098511, -0.28237844386400024, 11.509029542292]}, {"abc": [0.189166, 0.810834, 0.420798], "label": "O", "properties": {"magmom": -0.036}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0985110000000002, 3.3363547673720007, 6.373025265012]}, {"abc": [0.859188, 0.140812, 0.086468], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.098511, -3.855365230904, 1.309565987992]}, {"abc": [0.810834, 0.621669, 0.579202], "label": "O", "properties": {"magmom": -0.036}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.438626303033001, -1.0152067495350008, 8.772068734988]}, {"abc": [0.473692, 0.947384, 0.240082], "label": "O", "properties": {"magmom": -0.05}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.403219617835999, 2.542200278068, 3.636064457708]}, {"abc": [0.140812, 0.281624, 0.913532], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3089225927959998, 0.755706884548, 13.835528012008]}, {"abc": [0.333333, 0.666667, 0.561235], "label": "O", "properties": {"magmom": -0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.098511, 1.788929911186, 8.499956831090001]}, {"abc": [0.0, 0.0, 0.229658], "label": "O", "properties": {"magmom": -0.046}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 3.478191997852]}, {"abc": [0.666667, 0.333333, 0.907341], "label": "O", "properties": {"magmom": -0.025}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.098511, -1.788929911186, 13.741764735054]}, {"abc": [0.378331, 0.189166, 0.579202], "label": "O", "properties": {"magmom": -0.036}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7583956969669998, -1.0152067495350001, 8.772068734988]}, {"abc": [0.052616, 0.526308, 0.240082], "label": "O", "properties": {"magmom": -0.05}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.793802382164, 2.542200278068, 3.636064457708]}, {"abc": [0.718376, 0.859188, 0.913532], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.888099407204, 0.7557068845479997, 13.835528012008]}, {"abc": [0.810834, 0.189166, 0.579202], "label": "O", "properties": {"magmom": -0.036}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0985110000000002, -3.3363547673720007, 8.772068734988]}, {"abc": [0.473692, 0.526308, 0.240082], "label": "O", "properties": {"magmom": -0.05}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.098511, 0.28237844386400024, 3.636064457708]}, {"abc": [0.140812, 0.859188, 0.913532], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.098511, 3.855365230904, 13.835528012008]}], "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_YCr3O9\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.57448500\n_cell_length_b 8.04990414\n_cell_length_c 16.05674558\n_cell_angle_alpha 90.17412906\n_cell_angle_beta 90.07333635\n_cell_angle_gamma 90.25406260\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCr3O9\n_chemical_formula_sum 'Y4 Cr12 O36'\n_cell_volume 720.52050950\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 Y Y0 1 0.02055000 0.75582700 0.98257100 1.0\n Y Y1 1 0.51858700 0.25182700 0.18339800 1.0\n Y Y2 1 0.48212800 0.73616200 0.48362100 1.0\n Y Y3 1 0.97929100 0.25904200 0.68330000 1.0\n Cr Cr4 1 0.00717700 0.56082300 0.20262800 1.0\n Cr Cr5 1 0.98817700 0.43091200 0.46102800 1.0\n Cr Cr6 1 0.99170700 0.49764700 0.83447100 1.0\n Cr Cr7 1 0.48072100 0.53017200 0.98156900 1.0\n Cr Cr8 1 0.49820700 0.49633100 0.33210200 1.0\n Cr Cr9 1 0.48643500 0.56710400 0.70707900 1.0\n Cr Cr10 1 0.51357100 0.06710900 0.96100000 1.0\n Cr Cr11 1 0.50254200 0.99517600 0.33409600 1.0\n Cr Cr12 1 0.51790200 0.03002100 0.68380900 1.0\n Cr Cr13 1 0.98701100 0.02285900 0.18846500 1.0\n Cr Cr14 1 0.01856100 0.96882100 0.48161600 1.0\n Cr Cr15 1 0.00693900 0.99822900 0.83219600 1.0\n O O16 1 0.51326900 0.42210800 0.06752200 1.0\n O O17 1 0.26910200 0.49516000 0.43041100 1.0\n O O18 1 0.24673000 0.45326800 0.74560100 1.0\n O O19 1 0.00717200 0.57173700 0.10003100 1.0\n O O20 1 0.75223600 0.54603700 0.42160700 1.0\n O O21 1 0.76481600 0.49728300 0.73719900 1.0\n O O22 1 0.25183900 0.04092400 0.24156500 1.0\n O O23 1 0.00131200 0.07914000 0.56822600 1.0\n O O24 1 0.23771400 0.99548500 0.92856700 1.0\n O O25 1 0.72892500 0.97178600 0.23710300 1.0\n O O26 1 0.49845400 0.91676100 0.59836400 1.0\n O O27 1 0.75616800 0.95505500 0.92393600 1.0\n O O28 1 0.72722700 0.49731500 0.23482700 1.0\n O O29 1 0.47431100 0.57223300 0.60478900 1.0\n O O30 1 0.73940800 0.54971800 0.92566700 1.0\n O O31 1 0.24518200 0.44488700 0.24093300 1.0\n O O32 1 0.97616300 0.42701000 0.56338600 1.0\n O O33 1 0.21823500 0.48493000 0.93356400 1.0\n O O34 1 0.01593300 0.92289700 0.09945500 1.0\n O O35 1 0.75412200 0.94724700 0.42813900 1.0\n O O36 1 0.77590600 0.98887600 0.73449600 1.0\n O O37 1 0.51464200 0.07761300 0.06360400 1.0\n O O38 1 0.27473600 0.01452900 0.43063400 1.0\n O O39 1 0.25628800 0.04980300 0.73830200 1.0\n O O40 1 0.93051600 0.21696100 0.16005800 1.0\n O O41 1 0.94739800 0.24778200 0.42442000 1.0\n O O42 1 0.95084100 0.24612000 0.82024300 1.0\n O O43 1 0.43033100 0.72285700 0.01374400 1.0\n O O44 1 0.44713600 0.74719200 0.34733200 1.0\n O O45 1 0.45358300 0.74987300 0.74438000 1.0\n O O46 1 0.55204400 0.24348800 0.31945300 1.0\n O O47 1 0.56944300 0.22174000 0.65041700 1.0\n O O48 1 0.54633500 0.24940900 0.92315200 1.0\n O O49 1 0.05323900 0.74221300 0.23996800 1.0\n O O50 1 0.07284500 0.77667700 0.51339800 1.0\n O O51 1 0.04689400 0.74582500 0.84589100 1.0\n", "composition": {"Cr": 12.0, "O": 36.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCr3O9", "identifiers": {"materials_project_id": "mp-1352636"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.6657, "density": 3.5849914295353535, "energy_above_hull": 0.09783687076922831, "formation_energy_per_atom": -2.1625617942307693, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 11.9991483, "volume": 720.5205094977415}, "record_id": "mp-1352636", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.574485, "alpha": 90.17412905581809, "b": 8.049904140028627, "beta": 90.07333635423996, "c": 16.056745583889906, "gamma": 90.25406259705974, "matrix": [[5.574485, 0.0, 0.0], [-0.035695, 8.049825, 0.0], [-0.020552, -0.04889, 16.056658]], "pbc": [true, true, true], "volume": 720.5205094977415}, "properties": {}, "sites": [{"abc": [0.02055, 0.755827, 0.982571], "label": "Y", "properties": {"magmom": 0.009}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.06738262279299999, 6.036237184085, 15.776806507717998]}, {"abc": [0.518587, 0.251827, 0.183398], "label": "Y", "properties": {"magmom": 0.008}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.8780972922340005, 2.0181969520550003, 2.944758963884]}, {"abc": [0.482128, 0.736162, 0.483621], "label": "Y", "properties": {"magmom": 0.008}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.6513986226979998, 5.902331040959999, 7.765336998617999]}, {"abc": [0.979291, 0.259042, 0.6833], "label": "Y", "properties": {"magmom": 0.009}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.435753304345, 2.05183623065, 10.9715144114]}, {"abc": [0.007177, 0.560823, 0.202628], "label": "Cr", "properties": {"magmom": 0.066}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.015825091204000004, 4.504620523055, 3.253528497224]}, {"abc": [0.988177, 0.430912, 0.461028], "label": "Cr", "properties": {"magmom": 0.062}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [5.4837214125489995, 3.4462265314800002, 7.402568924423999]}, {"abc": [0.991707, 0.497647, 0.834471], "label": "Cr", "properties": {"magmom": 2.895}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [5.493342238238, 3.9651739745850003, 13.398815457917998]}, {"abc": [0.480721, 0.530172, 0.981569], "label": "Cr", "properties": {"magmom": 0.046}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.640674308057, 4.21980291149, 15.760717736401999]}, {"abc": [0.498207, 0.496331, 0.332102], "label": "Cr", "properties": {"magmom": 2.919}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.7527055530460003, 3.9791412252950003, 5.332448235116]}, {"abc": [0.486435, 0.567104, 0.707079], "label": "Cr", "properties": {"magmom": 0.061}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.676849946087, 4.53051886449, 11.353325681982]}, {"abc": [0.513571, 0.067109, 0.961], "label": "Cr", "properties": {"magmom": 0.06}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.84074790818, 0.493232415925, 15.430448337999998]}, {"abc": [0.502542, 0.995176, 0.334096], "label": "Cr", "properties": {"magmom": 2.883}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.7590236925580003, 7.99465869076, 5.364465211168]}, {"abc": [0.517902, 0.030021, 0.683809], "label": "Cr", "properties": {"magmom": 0.041}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.871911688307, 0.20823237431500002, 10.979687250322]}, {"abc": [0.987011, 0.022859, 0.188465], "label": "Cr", "properties": {"magmom": 0.044}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [5.49738872965, 0.17479689582500002, 3.0261180499699996]}, {"abc": [0.018561, 0.968821, 0.481616], "label": "Cr", "properties": {"magmom": 0.043}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.05898777845800002, 7.775293300085001, 7.733143399327999]}, {"abc": [0.006939, 0.998229, 0.832196], "label": "Cr", "properties": {"magmom": 2.902}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-0.014053724931999998, 7.994882697485001, 13.362286560968]}, {"abc": [0.513269, 0.422108, 0.067522], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.844755484261, 3.39459438052, 1.084177661476]}, {"abc": [0.269102, 0.49516, 0.430411], "label": "O", "properties": {"magmom": -0.02}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.473584519398, 3.96490855321, 6.9109622264379995]}, {"abc": [0.24673, 0.453268, 0.745601], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.343889691038, 3.61227564521, 11.971860261457998]}, {"abc": [0.007172, 0.571737, 0.100031], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.017516217093000004, 4.5974922804350005, 1.606163556398]}, {"abc": [0.752236, 0.546037, 0.421607], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.165172640681, 4.374889927295, 6.769599409405999]}, {"abc": [0.764816, 0.497283, 0.737199], "label": "O", "properties": {"magmom": -0.021}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.230553889227, 3.966999466365, 11.836952220941999]}, {"abc": [0.251839, 0.040924, 0.241565], "label": "O", "properties": {"magmom": -0.021}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.397447301855, 0.31762092545000004, 3.87872658977]}, {"abc": [0.001312, 0.07914, 0.568226], "label": "O", "properties": {"magmom": 0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.007189358732, 0.60928258136, 9.123810548707999]}, {"abc": [0.237714, 0.995485, 0.928567], "label": "O", 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"xyz": [2.458743539256, 5.99778377992, 5.576991136455999]}, {"abc": [0.453583, 0.749873, 0.74438], "label": "O", "properties": {"magmom": -0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.48642641526, 5.999953684025, 11.952255082039999]}, {"abc": [0.552044, 0.243488, 0.319453], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.062104295124, 1.9444177324300003, 5.1293475680739995]}, {"abc": [0.569443, 0.22174, 0.650417], "label": "O", "properties": {"magmom": 0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.153069082371, 1.7531693083700002, 10.443523326386]}, {"abc": [0.546335, 0.249409, 0.923152], "label": "O", "properties": {"magmom": -0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0176609883160004, 1.962565902145, 14.822735946015998]}, {"abc": [0.053239, 0.742213, 0.239968], "label": "O", "properties": {"magmom": -0.018}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.26535489154400005, 5.962952727205001, 3.8530841069439994]}, {"abc": [0.072845, 0.776677, 0.513398], "label": "O", "properties": {"magmom": 0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.367798518614, 6.227013903305, 8.243456103884]}, {"abc": [0.046894, 0.745825, 0.845891], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.217402924383, 5.962405119635, 13.582182492277997]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "P 1", "number": 1, "point_group": "1", "symbol": "P1", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCr3O9\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68525400\n_cell_length_b 3.68525400\n_cell_length_c 11.52105900\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 YCr3O9\n_chemical_formula_sum 'Y1 Cr3 O9'\n_cell_volume 156.46862033\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 Y Y0 1 0.00000000 0.00000000 0.00000000 1.0\n Cr Cr1 1 0.50000000 0.50000000 0.18448800 1.0\n Cr Cr2 1 0.50000000 0.50000000 0.50000000 1.0\n Cr Cr3 1 0.50000000 0.50000000 0.81551200 1.0\n O O4 1 0.50000000 0.50000000 0.00000000 1.0\n O O5 1 0.50000000 0.50000000 0.32775400 1.0\n O O6 1 0.50000000 0.50000000 0.67224600 1.0\n O O7 1 0.50000000 0.00000000 0.14697700 1.0\n O O8 1 0.50000000 0.00000000 0.50000000 1.0\n O O9 1 0.50000000 0.00000000 0.85302300 1.0\n O O10 1 0.00000000 0.50000000 0.14697700 1.0\n O O11 1 0.00000000 0.50000000 0.50000000 1.0\n O O12 1 0.00000000 0.50000000 0.85302300 1.0\n", "composition": {"Cr": 3.0, "O": 9.0, "Y": 1.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCr3O9", "identifiers": {"materials_project_id": "mp-1400138"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.127121217388832, "energy_above_hull": 0.24468359769230652, "formation_energy_per_atom": -2.015715067307691, "is_stable": false, "ordering": "FiM", "theoretical": true, "total_magnetization": 3.0938233, "volume": 156.46862033459445}, "record_id": "mp-1400138", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.685254, "alpha": 90.0, "b": 3.685254, "beta": 90.0, "c": 11.521059, "gamma": 90.0, "matrix": [[3.685254, 0.0, 0.0], [0.0, 3.685254, 0.0], [0.0, 0.0, 11.521059]], "pbc": [true, true, true], "volume": 156.46862033459445}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Y", "properties": {"magmom": 0.031}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.184488], "label": "Cr", "properties": {"magmom": 1.36}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.842627, 1.842627, 2.125497132792]}, {"abc": [0.5, 0.5, 0.5], "label": "Cr", "properties": {"magmom": 2.016}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.842627, 1.842627, 5.7605295]}, {"abc": [0.5, 0.5, 0.815512], "label": "Cr", "properties": {"magmom": 1.36}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.842627, 1.842627, 9.395561867208]}, {"abc": [0.5, 0.5, 0.0], "label": "O", "properties": {"magmom": -0.168}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.842627, 1.842627, 0.0]}, {"abc": [0.5, 0.5, 0.327754], "label": "O", "properties": {"magmom": -0.25}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.842627, 1.842627, 3.776073171486]}, {"abc": [0.5, 0.5, 0.672246], "label": "O", "properties": {"magmom": -0.25}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.842627, 1.842627, 7.744985828513999]}, {"abc": [0.5, 0.0, 0.146977], "label": "O", "properties": {"magmom": -0.054}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.842627, 0.0, 1.693330688643]}, {"abc": [0.5, 0.0, 0.5], "label": "O", "properties": {"magmom": -0.201}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.842627, 0.0, 5.7605295]}, {"abc": [0.5, 0.0, 0.853023], "label": "O", "properties": {"magmom": -0.054}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.842627, 0.0, 9.827728311357]}, {"abc": [0.0, 0.5, 0.146977], "label": "O", "properties": {"magmom": -0.007}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.842627, 1.693330688643]}, {"abc": [0.0, 0.5, 0.5], "label": "O", "properties": {"magmom": -0.555}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.842627, 5.7605295]}, {"abc": [0.0, 0.5, 0.853023], "label": "O", "properties": {"magmom": -0.007}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.842627, 9.827728311357]}], "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_YCrO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 7.31018642\n_cell_length_b 7.31018642\n_cell_length_c 7.31018642\n_cell_angle_alpha 130.45366208\n_cell_angle_beta 130.45366208\n_cell_angle_gamma 72.68254555\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCrO2\n_chemical_formula_sum 'Y4 Cr4 O8'\n_cell_volume 221.00171487\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 Y Y0 1 0.87500000 0.62500000 0.25000000 1.0\n Y Y1 1 0.37500000 0.62500000 0.75000000 1.0\n Y Y2 1 0.37500000 0.62500000 0.25000000 1.0\n Y Y3 1 0.37500000 0.12500000 0.75000000 1.0\n Cr Cr4 1 0.37500000 0.12500000 0.25000000 1.0\n Cr Cr5 1 0.87500000 0.12500000 0.75000000 1.0\n Cr Cr6 1 0.87500000 0.12500000 0.25000000 1.0\n Cr Cr7 1 0.87500000 0.62500000 0.75000000 1.0\n O O8 1 0.17205300 0.39353300 0.22148000 1.0\n O O9 1 0.17205300 0.95057300 0.77852000 1.0\n O O10 1 0.14353300 0.42205300 0.72148000 1.0\n O O11 1 0.57794700 0.85646700 0.27852000 1.0\n O O12 1 0.70057300 0.42205300 0.27852000 1.0\n O O13 1 0.57794700 0.29942700 0.72148000 1.0\n O O14 1 0.60646700 0.82794700 0.77852000 1.0\n O O15 1 0.04942700 0.82794700 0.22148000 1.0\n", "composition": {"Cr": 4.0, "O": 8.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO2", "identifiers": {"materials_project_id": "mp-1207648"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.19649271662718, "energy_above_hull": 0.5460864776041632, "formation_energy_per_atom": -2.430948761249999, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 13.0356285, "volume": 221.00171486965488}, "record_id": "mp-1207648", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.310186424513331, "alpha": 130.45366207620657, "b": 7.310186424513331, "beta": 130.45366207620657, "c": 7.310186424513331, "gamma": 72.68254554825624, "matrix": [[-3.063165, 3.063165, 5.888367], [3.063165, -3.063165, 5.888367], [3.063165, 3.063165, -5.888367]], "pbc": [true, true, true], "volume": 221.00171486965488}, "properties": {}, "sites": [{"abc": [0.875, 0.625, 0.25], "label": "Y", "properties": {"magmom": -0.169}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.1102230246251565e-16, 1.5315824999999998, 7.36045875]}, {"abc": [0.375, 0.625, 0.75], "label": "Y", "properties": {"magmom": -0.17}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.063165, 1.5315825000000003, 1.4720917499999997]}, {"abc": [0.375, 0.625, 0.25], "label": "Y", "properties": {"magmom": -0.169}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.5315824999999998, 1.1102230246251565e-16, 4.41627525]}, {"abc": [0.375, 0.125, 0.75], "label": "Y", "properties": {"magmom": -0.17}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.5315825, 3.0631650000000006, -1.4720917500000001]}, {"abc": [0.375, 0.125, 0.25], "label": "Cr", "properties": {"magmom": 3.499}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-1.1102230246251565e-16, 1.5315825000000003, 1.47209175]}, {"abc": [0.875, 0.125, 0.75], "label": "Cr", "properties": {"magmom": 3.497}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [4.440892098500626e-16, 4.5947475, 1.4720917499999997]}, {"abc": [0.875, 0.125, 0.25], "label": "Cr", "properties": {"magmom": 3.496}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-1.5315824999999998, 3.0631649999999997, 4.41627525]}, {"abc": [0.875, 0.625, 0.75], "label": "Cr", "properties": {"magmom": 3.497}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.5315825000000003, 3.063165, 4.41627525]}, {"abc": [0.172053, 0.393533, 0.22148], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3568595684, 1.1102230246251565e-16, 2.026222414902]}, {"abc": [0.172053, 0.950573, 0.77852], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.7694704316, 0.0, 2.0262224149020005]}, {"abc": [0.143533, 0.422053, 0.72148], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0631650000000006, 1.3568595684, -0.9179610850979998]}, {"abc": [0.577947, 0.856467, 0.27852], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7063054316000001, -1.1102230246251565e-16, 6.8063280850979995]}, {"abc": [0.700573, 0.422053, 0.27852], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.1102230246251565e-16, 1.7063054316000001, 4.970405914902]}, {"abc": [0.577947, 0.299427, 0.72148], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3568595684000004, 3.063165, 0.9179610850979998]}, {"abc": [0.606467, 0.827947, 0.77852], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.063165, 1.7063054316000001, 3.862144585098]}, {"abc": [0.049427, 0.827947, 0.22148], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.063165, -1.7063054316000001, 3.8621445850979996]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "I 4bw 2bw -1bw", "number": 141, "point_group": "4/mmm", "symbol": "I4_1/amd", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCrO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.24543586\n_cell_length_b 5.53958790\n_cell_length_c 7.54985526\n_cell_angle_alpha 89.99998068\n_cell_angle_beta 90.00033939\n_cell_angle_gamma 89.99999979\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCrO3\n_chemical_formula_sum 'Y4 Cr4 O12'\n_cell_volume 219.38031951\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 Y Y0 1 0.01831364 0.93178368 0.75000073 1.0\n Y Y1 1 0.51831449 0.56821733 0.25000124 1.0\n Y Y2 1 0.48168602 0.43178160 0.74999858 1.0\n Y Y3 1 0.98168604 0.06821824 0.24999946 1.0\n Cr Cr4 1 0.49999924 0.00000341 0.50000150 1.0\n Cr Cr5 1 0.00000023 0.49999916 0.00000053 1.0\n Cr Cr6 1 -0.00000036 0.49999675 0.49999854 1.0\n Cr Cr7 1 0.50000006 0.00000053 -0.00000046 1.0\n O O8 1 0.10791998 0.46350535 0.25001370 1.0\n O O9 1 0.60792052 0.03649521 0.75001354 1.0\n O O10 1 0.39207879 0.96350501 0.24998608 1.0\n O O11 1 0.89207918 0.53649512 0.74998692 1.0\n O O12 1 0.69280830 0.30244984 0.44474446 1.0\n O O13 1 0.19278258 0.19757972 0.55525263 1.0\n O O14 1 0.80719195 0.80244856 0.05525556 1.0\n O O15 1 0.30721635 0.69757925 0.94474749 1.0\n O O16 1 0.30719215 0.69755041 0.55525564 1.0\n O O17 1 0.80721760 0.80242044 0.44474749 1.0\n O O18 1 0.19280697 0.19755144 0.94474440 1.0\n O O19 1 0.69278328 0.30242096 0.05525299 1.0\n", "composition": {"Cr": 4.0, "O": 12.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO3", "identifiers": {"materials_project_id": "mp-18725"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.3271, "density": 5.719311192527547, "energy_above_hull": 0.0, "formation_energy_per_atom": -3.1910126505000016, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 12.0000009, "volume": 219.38031951097574}, "record_id": "mp-18725", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.245435860022576, "alpha": 89.99998068245759, "b": 5.53958790000013, "beta": 90.00033938814309, "c": 7.549855260033791, "gamma": 89.99999978737696, "matrix": [[5.24543586, 1e-08, -1.539e-05], [1e-08, 5.5395879, 1.2e-06], [-2.257e-05, 9.1e-07, 7.54985526]], "pbc": [true, true, true], "volume": 219.38031951097574}, "properties": {}, "sites": [{"abc": [0.01831364, 0.93178368, 0.75000073], "label": "Y", "properties": {}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.09604610578449109, 5.161698281829272, 5.662397792687837]}, {"abc": [0.51831449, 0.56821733, 0.25000124], "label": "Y", "properties": {}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.7187797757577976, 3.1476900785225803, 1.8874658818213175]}, {"abc": [0.48168602, 0.4317816, 0.74999858], "label": "Y", "properties": {}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.5266361994185424, 2.391892814118208, 5.662373829195603]}, {"abc": [0.98168604, 0.06821824, 0.24999946], "label": "Y", "properties": {}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [5.149365515671764, 0.377901174179665, 1.887444711791892]}, {"abc": [0.49999924, 3.41e-06, 0.5000015], "label": "Cr", "properties": {}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.6227026584349256, 1.93499960964e-05, 3.7749312597986786]}, {"abc": [2.3e-07, 0.49999916, 5.3e-07], "label": "Cr", "properties": {}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.2114382773e-06, 2.7697892967466484, 4.6014187401e-06]}, {"abc": [-3.6e-07, 0.49999675, 0.49999854], "label": "Cr", "properties": {}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-1.3168323989899999e-05, 2.7697764013379924, 3.774917207212961]}, {"abc": [0.50000006, 5.3e-07, -4.6e-07], "label": "Cr", "properties": {}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.622718244736539, 2.940981169e-06, -1.1167933707e-05]}, {"abc": [0.10791998, 0.46350535, 0.2500137], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5660816949283272, 2.5676288570369317, 1.8875661433349897]}, {"abc": [0.60792052, 0.03649521, 0.75001354], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.188791168197201, 0.2021691123154856, 5.66248435793767]}, {"abc": [0.39207879, 0.96350501, 0.24998608], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0566185124606338, 5.3374209263935, 1.8873538431282149]}, {"abc": [0.89207918, 0.53649512, 0.74998692], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.679327198891561, 2.9719625665699367, 5.662279607588763]}, {"abc": [0.6928083, 0.30244984, 0.44474446], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6340714660676743, 1.6754478856664778, 3.3577460013069307]}, {"abc": [0.19278258, 0.19757972, 0.55525263], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0112161282392569, 1.094510733405107, 4.192074259406091]}, {"abc": [0.80719195, 0.80244856, 0.05525556], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.234072361339823, 4.445234391702902, 0.41716002056440715]}, {"abc": [0.30721635, 0.69757925, 0.94474749], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6114623430932544, 3.864302435383454, 7.132702915783772]}, {"abc": [0.30719215, 0.69755041, 0.55525564], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6113441943762083, 3.8641423192305924, 4.192095823671971]}, {"abc": [0.8072176, 0.80242044, 0.44474749], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.234198115936491, 4.445078972929068, 3.3577677165739614]}, {"abc": [0.19280697, 0.19755144, 0.9447444], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0113352735903507, 1.0943544282970497, 7.1326807474580045]}, {"abc": [0.69278328, 0.30242096, 0.05525299], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6339490160846464, 1.6752875479304377, 0.4171417781527002]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2ac 2n", "number": 62, "point_group": "mmm", "symbol": "Pnma", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCrO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.85387900\n_cell_length_b 3.85387900\n_cell_length_c 3.85387900\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 YCrO3\n_chemical_formula_sum 'Y1 Cr1 O3'\n_cell_volume 57.23928828\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 Y Y0 1 0.00000000 0.00000000 0.00000000 1.0\n Cr Cr1 1 0.50000000 0.50000000 0.50000000 1.0\n O O2 1 0.50000000 0.50000000 0.00000000 1.0\n O O3 1 0.50000000 0.00000000 0.50000000 1.0\n O O4 1 0.00000000 0.50000000 0.50000000 1.0\n", "composition": {"Cr": 1.0, "O": 3.0, "Y": 1.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO3", "identifiers": {"materials_project_id": "mp-18770"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.7679, "density": 5.48008349907819, "energy_above_hull": 0.30330756549999904, "formation_energy_per_atom": -2.8877050850000012, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 2.9996268, "volume": 57.23928827956947}, "record_id": "mp-18770", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.853879, "alpha": 90.0, "b": 3.853879, "beta": 90.0, "c": 3.853879, "gamma": 90.0, "matrix": [[3.853879, 0.0, 0.0], [0.0, 3.853879, 0.0], [0.0, 0.0, 3.853879]], "pbc": [true, true, true], "volume": 57.23928827956947}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Y", "properties": {"magmom": 0.035}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Cr", "properties": {"magmom": 2.838}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.9269395, 1.9269395, 1.9269395]}, {"abc": [0.5, 0.5, 0.0], "label": "O", "properties": {"magmom": 0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.9269395, 1.9269395, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "O", "properties": {"magmom": 0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.9269395, 0.0, 1.9269395]}, {"abc": [0.0, 0.5, 0.5], "label": "O", "properties": {"magmom": 0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.9269395, 1.9269395]}], "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_YCrO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.08692776\n_cell_length_b 6.08692776\n_cell_length_c 12.01284600\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 119.99999737\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCrO3\n_chemical_formula_sum 'Y6 Cr6 O18'\n_cell_volume 385.45425811\n_cell_formula_units_Z 6\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 Y Y0 1 0.66666700 0.33333300 0.23365800 1.0\n Y Y1 1 0.33333300 0.66666700 0.73365800 1.0\n Y Y2 1 0.66666700 0.33333300 0.73365800 1.0\n Y Y3 1 0.33333300 0.66666700 0.23365800 1.0\n Y Y4 1 0.00000000 0.00000000 0.77675600 1.0\n Y Y5 1 0.00000000 0.00000000 0.27675600 1.0\n Cr Cr6 1 0.66658400 0.00000000 0.50115900 1.0\n Cr Cr7 1 0.66658400 0.66658400 0.00115900 1.0\n Cr Cr8 1 0.00000000 0.33341600 0.00115900 1.0\n Cr Cr9 1 0.00000000 0.66658400 0.50115900 1.0\n Cr Cr10 1 0.33341600 0.33341600 0.50115900 1.0\n Cr Cr11 1 0.33341600 0.00000000 0.00115900 1.0\n O O12 1 0.66666700 0.33333300 0.01913200 1.0\n O O13 1 0.33333300 0.66666700 0.51913200 1.0\n O O14 1 0.66666700 0.33333300 0.51913200 1.0\n O O15 1 0.33333300 0.66666700 0.01913200 1.0\n O O16 1 0.00000000 0.00000000 0.97955100 1.0\n O O17 1 0.00000000 0.00000000 0.47955100 1.0\n O O18 1 0.36006200 0.00000000 0.83873300 1.0\n O O19 1 0.36006200 0.36006200 0.33873300 1.0\n O O20 1 0.00000000 0.63993800 0.33873300 1.0\n O O21 1 0.00000000 0.36006200 0.83873300 1.0\n O O22 1 0.63993800 0.63993800 0.83873300 1.0\n O O23 1 0.63993800 0.00000000 0.33873300 1.0\n O O24 1 0.30662300 0.00000000 0.16447900 1.0\n O O25 1 0.30662300 0.30662300 0.66447900 1.0\n O O26 1 0.00000000 0.69337700 0.66447900 1.0\n O O27 1 0.00000000 0.30662300 0.16447900 1.0\n O O28 1 0.69337700 0.69337700 0.16447900 1.0\n O O29 1 0.69337700 0.00000000 0.66447900 1.0\n", "composition": {"Cr": 6.0, "O": 18.0, "Y": 6.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO3", "identifiers": {"materials_project_id": "mp-1336975"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.3989000000000003, "density": 4.882697325513858, "energy_above_hull": 0.15792626116666675, "formation_energy_per_atom": -3.0330863893333344, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 17.9991696, "volume": 385.45425811357677}, "record_id": "mp-1336975", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.086927758373021, "alpha": 90.0, "b": 6.086927758373021, "beta": 90.0, "c": 12.012846, "gamma": 119.99999737373055, "matrix": [[3.043464, -5.271434, 0.0], [3.043464, 5.271434, 0.0], [0.0, 0.0, 12.012846]], "pbc": [true, true, true], "volume": 385.45425811357677}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.233658], "label": "Y", "properties": {"magmom": 0.017}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.043464, -1.7571481809560003, 2.806897570668]}, {"abc": [0.333333, 0.666667, 0.733658], "label": "Y", "properties": {"magmom": 0.017}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.043464, 1.7571481809560003, 8.813320570668001]}, {"abc": [0.666667, 0.333333, 0.733658], "label": "Y", "properties": {"magmom": 0.017}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.043464, -1.7571481809560003, 8.813320570668001]}, {"abc": [0.333333, 0.666667, 0.233658], "label": "Y", "properties": {"magmom": 0.017}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.043464, 1.7571481809560003, 2.806897570668]}, {"abc": [0.0, 0.0, 0.776756], "label": "Y", "properties": {"magmom": 0.016}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 9.331050207576]}, {"abc": [0.0, 0.0, 0.276756], "label": "Y", "properties": {"magmom": 0.016}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 3.324627207576]}, {"abc": [0.666584, 0.0, 0.501159], "label": "Cr", "properties": {"magmom": 2.945}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.028724406976, -3.513853561456, 6.020345888514]}, {"abc": [0.666584, 0.666584, 0.001159], "label": "Cr", "properties": {"magmom": 2.945}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [4.057448813952, 0.0, 0.013922888514]}, {"abc": [0.0, 0.333416, 0.001159], "label": "Cr", "properties": {"magmom": 2.945}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.014739593024, 1.757580438544, 0.013922888514]}, {"abc": [0.0, 0.666584, 0.501159], "label": "Cr", "properties": {"magmom": 2.945}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.028724406976, 3.513853561456, 6.020345888514]}, {"abc": [0.333416, 0.333416, 0.501159], "label": "Cr", "properties": {"magmom": 2.945}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.029479186048, 0.0, 6.020345888514]}, {"abc": [0.333416, 0.0, 0.001159], "label": "Cr", "properties": {"magmom": 2.945}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.014739593024, -1.757580438544, 0.013922888514]}, {"abc": [0.666667, 0.333333, 0.019132], "label": "O", "properties": {"magmom": -0.073}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.043464, -1.7571481809560003, 0.229829769672]}, {"abc": [0.333333, 0.666667, 0.519132], "label": "O", "properties": {"magmom": -0.073}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.043464, 1.7571481809560003, 6.236252769672]}, {"abc": [0.666667, 0.333333, 0.519132], "label": "O", "properties": {"magmom": -0.073}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.043464, -1.7571481809560003, 6.236252769672]}, {"abc": [0.333333, 0.666667, 0.019132], "label": "O", "properties": {"magmom": -0.073}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.043464, 1.7571481809560003, 0.229829769672]}, {"abc": [0.0, 0.0, 0.979551], "label": "O", "properties": {"magmom": -0.038}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 11.767195312145999]}, {"abc": [0.0, 0.0, 0.479551], "label": "O", "properties": {"magmom": -0.039}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 5.760772312146]}, {"abc": [0.360062, 0.0, 0.838733], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0958357347680001, -1.8980430689080001, 10.075570364117999]}, {"abc": [0.360062, 0.360062, 0.338733], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.1916714695360002, 0.0, 4.069147364118]}, {"abc": [0.0, 0.639938, 0.338733], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.947628265232, 3.373390931092, 4.069147364118]}, {"abc": [0.0, 0.360062, 0.838733], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0958357347680001, 1.8980430689080001, 10.075570364117999]}, {"abc": [0.639938, 0.639938, 0.838733], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.895256530464, 0.0, 10.075570364117999]}, {"abc": [0.639938, 0.0, 0.338733], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.947628265232, -3.373390931092, 4.069147364118]}, {"abc": [0.306623, 0.0, 0.164479], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.933196062072, -1.616342907382, 1.9758608972339997]}, {"abc": [0.306623, 0.306623, 0.664479], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.866392124144, 0.0, 7.982283897234001]}, {"abc": [0.0, 0.693377, 0.664479], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.110267937928, 3.655091092618, 7.982283897234001]}, {"abc": [0.0, 0.306623, 0.164479], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.933196062072, 1.616342907382, 1.9758608972339997]}, {"abc": [0.693377, 0.693377, 0.164479], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.220535875856, 0.0, 1.9758608972339997]}, {"abc": [0.693377, 0.0, 0.664479], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.110267937928, -3.655091092618, 7.982283897234001]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2", "number": 185, "point_group": "6mm", "symbol": "P6_3cm", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCrO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47908807\n_cell_length_b 3.47908807\n_cell_length_c 11.88555690\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000810\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCrO3\n_chemical_formula_sum 'Y2 Cr2 O6'\n_cell_volume 124.58936606\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 Y Y0 1 0.00000000 -0.00000000 0.50000000 1.0\n Y Y1 1 0.00000000 -0.00000000 0.00000000 1.0\n Cr Cr2 1 0.66666700 0.33333300 0.75000000 1.0\n Cr Cr3 1 0.33333300 0.66666700 0.25000000 1.0\n O O4 1 0.33333300 0.66666700 0.41288915 1.0\n O O5 1 0.66666700 0.33333300 0.91288915 1.0\n O O6 1 0.66666700 0.33333300 0.58711085 1.0\n O O7 1 0.33333300 0.66666700 0.08711085 1.0\n O O8 1 0.00000000 -0.00000000 0.25000000 1.0\n O O9 1 0.00000000 0.00000000 0.75000000 1.0\n", "composition": {"Cr": 2.0, "O": 6.0, "Y": 2.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO3", "identifiers": {"materials_project_id": "mp-1387900"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.03535878092955, "energy_above_hull": 0.217492438499999, "formation_energy_per_atom": -2.9735202120000017, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 6.0000004, "volume": 124.58936605980726}, "record_id": "mp-1387900", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.4790880658832, "alpha": 90.0, "b": 3.4790880658832, "beta": 90.0, "c": 11.8855569, "gamma": 120.00000809873296, "matrix": [[1.73954382, -3.01297877, 0.0], [1.73954382, 3.01297877, -0.0], [0.0, -0.0, 11.8855569]], "pbc": [true, true, true], "volume": 124.58936605980726}, "properties": {}, "sites": [{"abc": [0.0, -0.0, 0.5], "label": "Y", "properties": {"magmom": 0.03}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 5.94277845]}, {"abc": [0.0, -0.0, 0.0], "label": "Y", "properties": {"magmom": 0.03}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.666667, 0.333333, 0.75], "label": "Cr", "properties": {"magmom": 2.916}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.73954382, -1.00432826531918, 8.914167675]}, {"abc": [0.333333, 0.666667, 0.25], "label": "Cr", "properties": {"magmom": 2.916}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [1.73954382, 1.00432826531918, 2.971389225]}, {"abc": [0.333333, 0.666667, 0.41288915], "label": "O", "properties": {"magmom": 0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.73954382, 1.00432826531918, 4.907417485717635]}, {"abc": [0.666667, 0.333333, 0.91288915], "label": "O", "properties": {"magmom": 0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.73954382, -1.00432826531918, 10.850195935717634]}, {"abc": [0.666667, 0.333333, 0.58711085], "label": "O", "properties": {"magmom": 0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.73954382, -1.00432826531918, 6.9781394142823645]}, {"abc": [0.333333, 0.666667, 0.08711085], "label": "O", "properties": {"magmom": 0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.73954382, 1.00432826531918, 1.035360964282365]}, {"abc": [0.0, -0.0, 0.25], "label": "O", "properties": {"magmom": -0.084}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 2.971389225]}, {"abc": [0.0, 0.0, 0.75], "label": "O", "properties": {"magmom": -0.084}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 8.914167675]}], "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_YCrO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.92096012\n_cell_length_b 5.92145995\n_cell_length_c 5.92145575\n_cell_angle_alpha 106.17969572\n_cell_angle_beta 106.17593820\n_cell_angle_gamma 116.28433148\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCrO4\n_chemical_formula_sum 'Y2 Cr2 O8'\n_cell_volume 158.09726471\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 Y Y0 1 0.12496933 0.87499930 0.24997003 1.0\n Y Y1 1 0.87503067 0.12500070 0.75002997 1.0\n Cr Cr2 1 0.37493950 0.62500603 0.74993447 1.0\n Cr Cr3 1 0.62506050 0.37499397 0.25006553 1.0\n O O4 1 0.79842696 0.73210559 0.43372529 1.0\n O O5 1 0.36464473 0.79839693 0.56624580 1.0\n O O6 1 0.73206875 0.79841827 0.93365147 1.0\n O O7 1 0.79842596 0.36470266 0.06632236 1.0\n O O8 1 0.63535627 0.20160307 0.43375420 1.0\n O O9 1 0.20157304 0.26789441 0.56627471 1.0\n O O10 1 0.20157404 0.63529734 0.93367764 1.0\n O O11 1 0.26793125 0.20158173 0.06634853 1.0\n", "composition": {"Cr": 2.0, "O": 8.0, "Y": 2.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO4", "identifiers": {"materials_project_id": "mp-18825"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.3176000000000001, "density": 4.304232696165202, "energy_above_hull": 0.005452526666665847, "formation_energy_per_atom": -2.7519915220833346, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 1.9999999, "volume": 158.09726471445765}, "record_id": "mp-18825", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.920960117463732, "alpha": 106.17969572352973, "b": 5.921459948312729, "beta": 106.17593820064695, "c": 5.921455754746415, "gamma": 116.28433148388176, "matrix": [[5.68629335, -0.00082431, -1.65040479], [-3.20869443, 4.69515845, -1.6502894], [0.00093476, 0.00097922, 5.9214556]], "pbc": [true, true, true], "volume": 158.09726471445762}, "properties": {}, "sites": [{"abc": [0.12496933, 0.8749993, 0.24997003], "label": "Y", "properties": {}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-2.096759448045701, 4.10840211932345, -0.1700656166568426]}, {"abc": [0.87503067, 0.1250007, 0.75002997], "label": "Y", "properties": {}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [4.5752931280457005, 0.5869112406765506, 2.7908270266568427]}, {"abc": [0.3749395, 0.62500603, 0.74993447], "label": "Cr", "properties": {}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.12726362707008876, 2.934927627507922, 2.790460894009245]}, {"abc": [0.6250605, 0.37499397, 0.25006553], "label": "Cr", "properties": {}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.351270052929911, 1.7603857324920782, -0.16969948400924495]}, {"abc": [0.79842696, 0.73210559, 0.43372529], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.1913922133559325, 3.4371183083318115, 0.04237127322523948]}, {"abc": [0.36464473, 0.79839693, 0.5662458], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.4878055749845464, 3.748853991258448, 1.4336019637746815]}, {"abc": [0.73206875, 0.79841827, 0.93365147], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6017501491566737, 3.749011085626022, 3.002744746123082]}, {"abc": [0.79842596, 0.36470266, 0.06632236], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.369926828556416, 1.7117435695147487, -1.5268660527669362]}, {"abc": [0.63535627, 0.20160307, 0.4337542], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.966344941277896, 0.9464593679172418, 1.1871577958205284]}, {"abc": [0.20157304, 0.26789441, 0.56627471], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.28714146664406714, 1.2581950516681883, 2.5783901367747597]}, {"abc": [0.20157404, 0.63529734, 0.93367764], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.8913931485564157, 2.9835697904852516, 4.147627462766936]}, {"abc": [0.26793125, 0.20158173, 0.06634853], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8767835308433265, 0.9463022743739775, -0.3819833361230815]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "I 4bw 2bw -1bw", "number": 141, "point_group": "4/mmm", "symbol": "I4_1/amd", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCrO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.06808490\n_cell_length_b 6.73780912\n_cell_length_c 5.06809644\n_cell_angle_alpha 67.90867756\n_cell_angle_beta 89.99951608\n_cell_angle_gamma 112.09130214\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCrO4\n_chemical_formula_sum 'Y2 Cr2 O8'\n_cell_volume 146.55588214\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 Y Y0 1 0.12499900 0.75000100 0.62499800 1.0\n Y Y1 1 0.87499900 0.25000000 0.37500000 1.0\n Cr Cr2 1 0.37499800 0.24999000 0.87500500 1.0\n Cr Cr3 1 0.62500900 0.75000500 0.12500800 1.0\n O O4 1 0.19485800 0.40500300 0.65314000 1.0\n O O5 1 0.84721700 0.90530500 0.78943500 1.0\n O O6 1 0.71014600 0.40501000 0.94184700 1.0\n O O7 1 0.55808700 0.90530700 0.30525500 1.0\n O O8 1 0.44185200 0.09499100 0.69486000 1.0\n O O9 1 0.15313800 0.09499300 0.21014700 1.0\n O O10 1 0.80525500 0.59470100 0.34721900 1.0\n O O11 1 0.28944200 0.59469300 0.05808600 1.0\n", "composition": {"Cr": 2.0, "O": 8.0, "Y": 2.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO4", "identifiers": {"materials_project_id": "mp-555657"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.12829999999999986, "density": 4.643194159337035, "energy_above_hull": 0.025783374583333796, "formation_energy_per_atom": -2.7316606741666667, "is_stable": false, "ordering": "AFM", "theoretical": false, "total_magnetization": 2.14e-05, "volume": 146.5558821376996}, "record_id": "mp-555657", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.06808490292201, "alpha": 67.90867756448073, "b": 6.737809118202593, "beta": 89.99951608486676, "c": 5.068096441148194, "gamma": 112.09130213607801, "matrix": [[-0.774111, 4.631533, -1.906604], [4.696531, 0.000957, 4.831218], [4.695777, 1.3e-05, -1.906641]], "pbc": [true, true, true], "volume": 146.5558821376996}, "properties": {}, "sites": [{"abc": [0.124999, 0.750001, 0.624998], "label": "Y", "properties": {"magmom": 0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [6.360491079088, 0.579662869398, 2.1934479261039996]}, {"abc": [0.874999, 0.25, 0.375], "label": "Y", "properties": {"magmom": -0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [2.257702774111, 4.052830868467, -1.175462468396]}, {"abc": [0.374998, 0.24999, 0.875005], "label": "Cr", "properties": {"magmom": -1.087}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [4.992624061797, 1.737066227429, -1.1755369071770003]}, {"abc": [0.625009, 0.750005, 0.125008], "label": "Cr", "properties": {"magmom": 1.092}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [3.6256050818720005, 2.895469188686, 2.193447618526]}, {"abc": [0.194858, 0.405003, 0.65314], "label": "O", "properties": {"magmom": 0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.818267213135, 0.902887336005, 0.3398372386819999]}, {"abc": [0.847217, 0.905305, 0.789435], "label": "O", "properties": {"magmom": -0.025}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.302963713863, 3.9247901332010002, 1.2532493525869997]}, {"abc": [0.710146, 0.40501, 0.941847], "label": "O", "properties": {"magmom": 0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.775113670223, 3.2894644723990005, -1.1930397079310002]}, {"abc": [0.558087, 0.905307, 0.305255], "label": "O", "properties": {"magmom": -0.025}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.253190512494999, 2.585668704485, 2.7276728689229994]}, {"abc": [0.441852, 0.094991, 0.69486], "label": "O", "properties": {"magmom": 0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.3669932888689997, 2.046552058683, -1.7083631268300001]}, {"abc": [0.153138, 0.094993, 0.210147], "label": "O", "properties": {"magmom": 0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3143952081839998, 0.709357340766, -0.23371651810500005]}, {"abc": [0.805255, 0.594701, 0.347219], "label": "O", "properties": {"magmom": -0.025}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8001379230890002, 3.7301387486190003, 0.6758057904189998]}, {"abc": [0.289442, 0.594693, 0.058086], "label": "O", "properties": {"magmom": -0.025}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.8416927767430002, 1.3411300509049997, 2.2104911019799998]}], "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"}}}
	{"cif": "# generated using pymatgen\ndata_YCrO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.93569816\n_cell_length_b 5.93564442\n_cell_length_c 10.00759508\n_cell_angle_alpha 90.00013597\n_cell_angle_beta 89.99927322\n_cell_angle_gamma 116.44398866\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCrO4\n_chemical_formula_sum 'Y4 Cr4 O16'\n_cell_volume 315.69813107\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 Y Y0 1 0.99999124 0.74999169 0.12498782 1.0\n Y Y1 1 0.49999970 0.25000735 0.62504161 1.0\n Y Y2 1 0.50000225 0.75000114 0.37480424 1.0\n Y Y3 1 0.00000629 0.25000093 0.87517605 1.0\n Cr Cr4 1 0.49999290 0.75000227 0.87629777 1.0\n Cr Cr5 1 -0.00000484 0.75001114 0.62501682 1.0\n Cr Cr6 1 0.00000262 0.25000007 0.37377039 1.0\n Cr Cr7 1 0.49999551 0.24999428 0.12494283 1.0\n O O8 1 0.58914986 0.51098601 0.22144906 1.0\n O O9 1 0.08039765 0.01832089 0.71418158 1.0\n O O10 1 0.09015619 0.51255115 0.27823467 1.0\n O O11 1 0.58458785 0.01176363 0.78107383 1.0\n O O12 1 0.26181145 0.33452503 0.46898121 1.0\n O O13 1 0.76250357 0.84007472 0.97172955 1.0\n O O14 1 0.76103055 0.33916644 0.02844701 1.0\n O O15 1 0.26834155 0.83047010 0.53585878 1.0\n O O16 1 0.41083948 0.98901681 0.22145718 1.0\n O O17 1 0.91962438 0.48172320 0.71419405 1.0\n O O18 1 0.90982322 0.98742495 0.27824121 1.0\n O O19 1 0.41540932 0.48823182 0.78107780 1.0\n O O20 1 0.73821352 0.16547634 0.46899949 1.0\n O O21 1 0.23749948 0.65990859 0.97174097 1.0\n O O22 1 0.23896370 0.16081865 0.02844179 1.0\n O O23 1 0.73166356 0.66953081 0.53585829 1.0\n", "composition": {"Cr": 4.0, "O": 16.0, "Y": 4.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO4", "identifiers": {"materials_project_id": "mp-1285565"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.05830000000000002, "density": 4.311000598327013, "energy_above_hull": 0.0, "formation_energy_per_atom": -2.7574440487500005, "is_stable": true, "ordering": "FM", "theoretical": true, "total_magnetization": 3.9999997, "volume": 315.69813106606074}, "record_id": "mp-1285565", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.935698156843856, "alpha": 90.00013597343053, "b": 5.935644420682445, "beta": 89.99927322101667, "c": 10.007595083634117, "gamma": 116.44398866410674, "matrix": [[5.7016629, -0.00818845, -1.65029868], [-3.22269505, 4.70345836, -1.6503305], [2.46685358, 4.67234944, 8.49916134]], "pbc": [true, true, true], "volume": 315.69813106606074}, "properties": {}, "sites": [{"abc": [0.99999124, 0.74999169, 0.12498782], "label": "Y", "properties": {"magmom": 0.02}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.592945097752257, 4.103353076775671, -1.8257267364222292]}, {"abc": [0.4999997, 0.25000735, 0.62504161], "label": "Y", "properties": {"magmom": 0.02}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [3.587018423469976, 4.09221775433568, 4.074585887763787]}, {"abc": [0.50000225, 0.75000114, 0.37480424], "label": "Y", "properties": {"magmom": 0.02}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.3584064986123472, 5.274721269392144, 1.122618897127282]}, {"abc": [6.29e-06, 0.25000093, 0.87517605], "label": "Y", "properties": {"magmom": 0.02}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [1.3532902759260037, 5.264997239829835, 7.0256679096678445]}, {"abc": [0.4999929, 0.75000227, 0.87629777], "label": "Cr", "properties": {"magmom": 1.282}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.595460656246163, 7.61787967492122, 5.384906884982605]}, {"abc": [-4.84e-06, 0.75001114, 0.62501682], "label": "Cr", "properties": {"magmom": 1.257}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-0.8752598043940776, 6.447943195075809, 4.07436052115758]}, {"abc": [2.62e-06, 0.25000007, 0.37377039], "label": "Cr", "properties": {"magmom": 1.282}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [0.11637777493764068, 2.922250770193428, 2.764147784419046]}, {"abc": [0.49999551, 0.24999428, 0.12494283], "label": "Cr", "properties": {"magmom": 1.263}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [2.353366188330096, 1.7555200597668366, -0.17580584482227435]}, {"abc": [0.58914986, 0.51098601, 0.22144906], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.258664220704578, 3.4332645878859527, 0.06656225587485087]}, {"abc": [0.08039765, 0.01832089, 0.71418158], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.161139044130647, 3.422419116467313, 5.907028815251871]}, {"abc": [0.09015619, 0.51255115, 0.27823467], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.4513916584788378, 3.7100343565041927, 1.370097913705754]}, {"abc": [0.58458785, 0.01176363, 0.78107383], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.222007037744545, 3.6999927476862693, 5.654314065042979]}, {"abc": [0.26181145, 0.33452503, 0.46898121], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.571596449819335, 3.76252481292902, 3.0018030188521205]}, {"abc": [0.76250357, 0.84007472, 0.97172955], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.037348193621705, 8.485272761224845, 5.61412665653435]}, {"abc": [0.76103055, 0.33916644, 0.02844701], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.316284253846268, 1.7219379382854654, -1.5738887049825006]}, {"abc": [0.26834155, 0.8304701, 0.53585878], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.17552632953792213, 6.407603703862021, 2.7409563855533614]}, {"abc": [0.41083948, 0.98901681, 0.22145718], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.2985289196827944, 5.683160575592005, -0.4280121553701699]}, {"abc": [0.91962438, 0.4817232, 0.71419405], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.45275338632854, 5.595198883560373, 3.757393069090609]}, {"abc": [0.90982322, 0.98742495, 0.27824121], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.6917161254130724, 5.936902255732695, -0.7662406352185029]}, {"abc": [0.41540932, 0.48823182, 0.7810778], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.721906205780261, 5.942444898377094, 5.147212925220044]}, {"abc": [0.73821352, 0.16547634, 0.46899949], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.832717928376965, 2.963595754719144, 2.4947388853431933]}, {"abc": [0.23749948, 0.65990859, 0.97174097], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6246005181169851, 7.642221198858863, 6.7779709330844184]}, {"abc": [0.2389637, 0.16081865, 0.02844179], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.9143827269171557, 0.8873370630562466, -0.4180340397333423]}, {"abc": [0.73166356, 0.66953081, 0.53585829], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.335889289183611, 5.646836276295047, 2.2419355383817026]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "C 2 2", "number": 21, "point_group": "222", "symbol": "C222", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_YCrO5\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 8.31134380\n_cell_length_b 8.31709761\n_cell_length_c 11.60648600\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.48249845\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YCrO5\n_chemical_formula_sum 'Y8 Cr8 O40'\n_cell_volume 802.28449303\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 Y Y0 1 0.63521600 0.83275300 0.06372200 1.0\n Y Y1 1 0.13521500 0.33275300 0.43627800 1.0\n Y Y2 1 0.36478500 0.16724700 0.93627800 1.0\n Y Y3 1 0.86478400 0.66724700 0.56372200 1.0\n Y Y4 1 0.93162700 0.17941200 0.92095700 1.0\n Y Y5 1 0.43162700 0.67941200 0.57904300 1.0\n Y Y6 1 0.06837300 0.82058800 0.07904300 1.0\n Y Y7 1 0.56837300 0.32058800 0.42095700 1.0\n Cr Cr8 1 0.86080800 0.99831400 0.32914600 1.0\n Cr Cr9 1 0.36080800 0.49831400 0.17085400 1.0\n Cr Cr10 1 0.13919200 0.00168600 0.67085400 1.0\n Cr Cr11 1 0.63919200 0.50168600 0.82914600 1.0\n Cr Cr12 1 0.86078600 0.45411500 0.18922400 1.0\n Cr Cr13 1 0.36078600 0.95411500 0.31077600 1.0\n Cr Cr14 1 0.13921400 0.54588500 0.81077600 1.0\n Cr Cr15 1 0.63921400 0.04588500 0.68922400 1.0\n O O16 1 0.66284800 0.09508300 0.98468100 1.0\n O O17 1 0.16284800 0.59508300 0.51531900 1.0\n O O18 1 0.33715200 0.90491700 0.01531900 1.0\n O O19 1 0.83715200 0.40491700 0.48468100 1.0\n O O20 1 0.92575500 0.31529100 0.09830800 1.0\n O O21 1 0.42575500 0.81529100 0.40169200 1.0\n O O22 1 0.07424500 0.68470900 0.90169200 1.0\n O O23 1 0.57424500 0.18470900 0.59830800 1.0\n O O24 1 0.85530600 0.92286100 0.96226000 1.0\n O O25 1 0.35530600 0.42286100 0.53774000 1.0\n O O26 1 0.14469400 0.07713900 0.03774000 1.0\n O O27 1 0.64469400 0.57713900 0.46226000 1.0\n O O28 1 0.84104000 0.63207400 0.11883500 1.0\n O O29 1 0.34104000 0.13207400 0.38116500 1.0\n O O30 1 0.15896000 0.36792600 0.88116500 1.0\n O O31 1 0.65896000 0.86792600 0.61883500 1.0\n O O32 1 0.84331400 0.93192200 0.19121800 1.0\n O O33 1 0.34331400 0.43192200 0.30878200 1.0\n O O34 1 0.15668600 0.06807800 0.80878200 1.0\n O O35 1 0.65668600 0.56807800 0.69121800 1.0\n O O36 1 0.69112400 0.08194800 0.37057700 1.0\n O O37 1 0.19112400 0.58194800 0.12942300 1.0\n O O38 1 0.30887600 0.91805200 0.62942300 1.0\n O O39 1 0.80887600 0.41805200 0.87057700 1.0\n O O40 1 0.98403400 0.47611400 0.30325300 1.0\n O O41 1 0.48403400 0.97611400 0.19674700 1.0\n O O42 1 0.01596600 0.52388600 0.69674700 1.0\n O O43 1 0.51596600 0.02388600 0.80325300 1.0\n O O44 1 0.00163100 0.13811600 0.33527200 1.0\n O O45 1 0.50163100 0.63811600 0.16472800 1.0\n O O46 1 0.99836900 0.86188400 0.66472800 1.0\n O O47 1 0.49836900 0.36188400 0.83527200 1.0\n O O48 1 0.90350400 0.84567800 0.41599600 1.0\n O O49 1 0.40350400 0.34567800 0.08400400 1.0\n O O50 1 0.09649600 0.15432200 0.58400400 1.0\n O O51 1 0.59649600 0.65432200 0.91599600 1.0\n O O52 1 0.68684200 0.39265400 0.24152100 1.0\n O O53 1 0.18684200 0.89265400 0.25847900 1.0\n O O54 1 0.31315800 0.60734600 0.75847900 1.0\n O O55 1 0.81315800 0.10734600 0.74152100 1.0\n", "composition": {"Cr": 8.0, "O": 40.0, "Y": 8.0}, "description": "", "elements": ["Cr", "O", "Y"], "formula": "YCrO5", "identifiers": {"materials_project_id": "mp-1204332"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.556, "density": 3.6576684699409254, "energy_above_hull": 0.0857580392559516, "formation_energy_per_atom": -2.305943738928572, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 7.9984492, "volume": 802.284493026958}, "record_id": "mp-1204332", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.311343801293507, "alpha": 90.0, "b": 8.317097605814242, "beta": 90.0, "c": 11.606486, "gamma": 90.48249844769035, "matrix": [[-8.304384, 0.0, 0.340062], [-0.270305, 0.0, -8.312704], [0.0, -11.606486, 0.0]], "pbc": [true, true, true], "volume": 802.284493026958}, "properties": {}, "sites": [{"abc": [0.635216, 0.832753, 0.063722], "label": "Y", "properties": {"magmom": -0.014}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-5.500174886609001, -0.739588500892, -6.7064163707199995]}, {"abc": [0.135215, 0.332753, 0.436278], "label": "Y", "properties": {"magmom": -0.014}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-1.2128220822250002, -5.063654499108, -2.7200957107820005]}, {"abc": [0.364785, 0.167247, 0.936278], "label": "Y", "properties": {"magmom": -0.014}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-3.074522417775001, -10.866897499108001, -1.2662252892180001]}, {"abc": [0.864784, 0.667247, 0.563722], "label": "Y", "properties": {"magmom": -0.014}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-7.361858613391001, -6.5428315008919995, -5.25254662928]}, {"abc": [0.931627, 0.179412, 0.920957], "label": "Y", "properties": {"magmom": -0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-7.785084313428001, -10.689074527102001, -1.174587909174]}, {"abc": [0.431627, 0.679412, 0.579043], "label": "Y", "properties": {"magmom": -0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-3.7680448134280002, -6.7206544728979996, -5.500970909174001]}, {"abc": [0.068373, 0.820588, 0.079043], "label": "Y", "properties": {"magmom": -0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-0.7896046865720001, -0.9174114728980001, -6.798054090826]}, {"abc": [0.568373, 0.320588, 0.420957], "label": "Y", "properties": {"magmom": -0.007}, "species": [{"element": "Y", "occu": 1.0}], "xyz": [-4.806644186572, -4.885831527102001, -2.471671090826]}, {"abc": [0.860808, 0.998314, 0.329146], "label": "Cr", "properties": {"magmom": -0.008}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-7.418329448042, -3.820228440956, -8.00596069096]}, {"abc": [0.360808, 0.498314, 0.170854], "label": "Cr", "properties": {"magmom": -0.008}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-3.1309849480420002, -1.983014559044, -4.01963969096]}, {"abc": [0.139192, 0.001686, 0.670854], "label": "Cr", "properties": {"magmom": -0.008}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-1.156359551958, -7.7862575590439995, 0.03331869096]}, {"abc": [0.639192, 0.501686, 0.829146], "label": "Cr", "properties": {"magmom": -0.008}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-5.443704051958001, -9.623471440956001, -3.9530023090399995]}, {"abc": [0.860786, 0.454115, 0.189224], "label": "Cr", "properties": {"magmom": -0.018}, "species": [{"element": "Cr", "occu": 1.0}], "xyz": [-7.271047040899001, -2.1962257068640003, -3.482202968228]}, {"abc": [0.360786, 0.954115, 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