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	{"cif": "# generated using pymatgen\ndata_Al(CoO2)2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.81297513\n_cell_length_b 5.81297513\n_cell_length_c 5.81297513\n_cell_angle_alpha 119.59350937\n_cell_angle_beta 118.82814703\n_cell_angle_gamma 91.37365619\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al(CoO2)2\n_chemical_formula_sum 'Al2 Co4 O8'\n_cell_volume 140.49846107\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.50000000 0.50000000 0.50000000 1.0\n Al Al1 1 0.50000000 0.00000000 0.00000000 1.0\n Co Co2 1 0.50000000 0.00000000 0.50000000 1.0\n Co Co3 1 0.12172800 0.37172800 0.75000000 1.0\n Co Co4 1 0.00000000 0.00000000 0.00000000 1.0\n Co Co5 1 0.87827200 0.62827200 0.25000000 1.0\n O O6 1 0.29323300 0.76152900 0.53170400 1.0\n O O7 1 0.72982500 0.76152900 0.96829600 1.0\n O O8 1 0.73176800 0.21610700 0.98433900 1.0\n O O9 1 0.73176800 0.74742900 0.51566100 1.0\n O O10 1 0.26823200 0.25257100 0.48433900 1.0\n O O11 1 0.26823200 0.78389300 0.01566100 1.0\n O O12 1 0.70676700 0.23847100 0.46829600 1.0\n O O13 1 0.27017500 0.23847100 0.03170400 1.0\n", "composition": {"Al": 2.0, "Co": 4.0, "O": 8.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al(CoO2)2", "identifiers": {"materials_project_id": "mp-753184"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.93665420914952, "energy_above_hull": 0.03193733607142857, "formation_energy_per_atom": -2.05576668, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 9.99855, "volume": 140.49846106976761}, "record_id": "mp-753184", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.812975126104875, "alpha": 119.5935093702018, "b": 5.812975126104875, "beta": 118.82814702927327, "c": 5.812975126104875, "gamma": 91.37365618593682, "matrix": [[-2.924327, 2.957816, 4.060827], [2.924327, -2.957816, 4.060827], [2.924327, 2.957816, -4.060827]], "pbc": [true, true, true], "volume": 140.49846106976761}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4621635, 1.478908, 2.0304135]}, {"abc": [0.5, 0.0, 0.0], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4621635, 1.478908, 2.0304135]}, {"abc": [0.5, 0.0, 0.5], "label": "Co", "properties": {"magmom": 2.034}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 2.957816, 0.0]}, {"abc": [0.121728, 0.371728, 0.75], "label": "Co", "properties": {"magmom": 2.667}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.924327, 1.4789080000000001, -1.0417808018879997]}, {"abc": [0.0, 0.0, 0.0], "label": "Co", "properties": {"magmom": 2.034}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.878272, 0.628272, 0.25], "label": "Co", "properties": {"magmom": 2.667}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.220446049250313e-16, 1.4789079999999997, 5.102607801888]}, {"abc": [0.293233, 0.761529, 0.531704], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.9243269999999995, 0.18754919692799987, 2.1240480489660003]}, {"abc": [0.729825, 0.761529, 0.968296], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.924327, 2.7702668030719995, 2.1240480489660003]}, {"abc": [0.731768, 0.216107, 0.984339], "label": "O", "properties": {"magmom": 0.106}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3705677297060002, 4.436723999999999, -0.14807399572800017]}, {"abc": [0.731768, 0.747429, 0.515661], "label": "O", "properties": {"magmom": 0.106}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5537592702940004, 1.4789079999999997, 3.912753004271999]}, {"abc": [0.268232, 0.252571, 0.484339], "label": "O", "properties": {"magmom": 0.106}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.370567729706, 1.4789080000000001, 0.14807399572799995]}, {"abc": [0.268232, 0.783893, 0.015661], "label": "O", "properties": {"magmom": 0.106}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5537592702939997, -1.4789079999999994, 4.2089009957279995]}, {"abc": [0.706767, 0.238471, 0.468296], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.440892098500626e-16, 2.7702668030720004, 1.9367789510339997]}, {"abc": [0.270175, 0.238471, 0.031704], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3877787807814457e-17, 0.18754919692800004, 1.936778951034]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-I 2b 2", "number": 74, "point_group": "mmm", "symbol": "Imma", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al(CoO2)2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.25133159\n_cell_length_b 5.12233765\n_cell_length_c 6.10477383\n_cell_angle_alpha 112.66114137\n_cell_angle_beta 113.72819088\n_cell_angle_gamma 95.07133467\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al(CoO2)2\n_chemical_formula_sum 'Al2 Co4 O8'\n_cell_volume 132.84119547\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.91881100 0.17490500 0.84514400 1.0\n Al Al1 1 0.08118900 0.82509500 0.15485600 1.0\n Co Co2 1 0.50000000 0.00000000 0.00000000 1.0\n Co Co3 1 0.50000000 0.50000000 0.00000000 1.0\n Co Co4 1 0.00000000 0.50000000 0.50000000 1.0\n Co Co5 1 0.50000000 0.50000000 0.50000000 1.0\n O O6 1 0.73257900 0.48211300 0.83341600 1.0\n O O7 1 0.09350100 0.85401600 0.82954500 1.0\n O O8 1 0.26742100 0.51788700 0.16658400 1.0\n O O9 1 0.90649900 0.14598400 0.17045500 1.0\n O O10 1 0.45291000 0.09798000 0.30729600 1.0\n O O11 1 0.86836700 0.70423000 0.30855500 1.0\n O O12 1 0.13163300 0.29577000 0.69144500 1.0\n O O13 1 0.54709000 0.90202000 0.69270400 1.0\n", "composition": {"Al": 2.0, "Co": 4.0, "O": 8.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al(CoO2)2", "identifiers": {"materials_project_id": "mp-1248269"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.04069999999999929, "density": 5.221214072787762, "energy_above_hull": 0.34048552249999897, "formation_energy_per_atom": -1.747218493571429, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 5.9998275, "volume": 132.8411954671624}, "record_id": "mp-1248269", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.251331591526191, "alpha": 112.66114137428522, "b": 5.122337650696701, "beta": 113.72819087562539, "c": 6.104773826396682, "gamma": 95.07133466790047, "matrix": [[4.744037, -0.115274, -2.248846], [-1.443663, 4.38822, -2.213076], [0.177028, 0.384085, 6.090107]], "pbc": [true, true, true], "volume": 132.8411954671624}, "properties": {}, "sites": [{"abc": [0.918811, 0.174905, 0.845144], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.255983655024, 0.9862137331259999, 2.693674890522]}, {"abc": [0.081189, 0.825095, 0.154856], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-0.7785816550240001, 3.670817266874, -1.065489890522]}, {"abc": [0.5, 0.0, 0.0], "label": "Co", "properties": {"magmom": 1.482}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.3720185, -0.057637, -1.124423]}, {"abc": [0.5, 0.5, 0.0], "label": "Co", "properties": {"magmom": 1.5}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.6501869999999998, 2.1364729999999996, -2.2309609999999997]}, {"abc": [0.0, 0.5, 0.5], "label": "Co", "properties": {"magmom": 1.821}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-0.6333175, 2.3861524999999997, 1.9385154999999998]}, {"abc": [0.5, 0.5, 0.5], "label": "Co", "properties": {"magmom": 1.22}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.7387009999999998, 2.3285154999999995, 0.8140925000000001]}, {"abc": [0.732579, 0.482113, 0.833416], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.9269111491519997, 2.3512731815740002, 2.36118255209]}, {"abc": [0.093501, 0.854016, 0.829545], "label": "O", "properties": {"magmom": -0.046}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.642486404811, 4.055447648571, 2.951746148252999]}, {"abc": [0.267421, 0.517887, 0.166584], "label": "O", "properties": {"magmom": -0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5504908508480001, 2.3057578184259997, -0.7329975520899998]}, {"abc": [0.906499, 0.145984, 0.170455], "label": "O", "properties": {"magmom": -0.046}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.119888404811, 0.6015833514289999, -1.3235611482529999]}, {"abc": [0.45291, 0.09798, 0.307296], "label": "O", "properties": {"magmom": 0.02}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0615716932179997, 0.49577683242000004, 0.6361034923319999]}, {"abc": [0.868367, 0.70423, 0.308555], "label": "O", "properties": {"magmom": 0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.1575172576290003, 3.108727380217, -1.632205200577]}, {"abc": [0.131633, 0.29577, 0.691445], "label": "O", "properties": {"magmom": 0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.319884742371, 1.5483036197829998, 3.260390200577]}, {"abc": [0.54709, 0.90202, 0.692704], "label": "O", "properties": {"magmom": 0.02}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4158303067819995, 4.16125416758, 0.9920815076679994]}], "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_Al(CoO2)2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.14086606\n_cell_length_b 6.14086606\n_cell_length_c 5.15585630\n_cell_angle_alpha 65.30611057\n_cell_angle_beta 65.30611057\n_cell_angle_gamma 107.32449110\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al(CoO2)2\n_chemical_formula_sum 'Al2 Co4 O8'\n_cell_volume 131.62629512\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.12235400 0.87764600 0.25000000 1.0\n Al Al1 1 0.87764600 0.12235400 0.75000000 1.0\n Co Co2 1 0.50000000 0.50000000 0.50000000 1.0\n Co Co3 1 0.50000000 0.50000000 0.00000000 1.0\n Co Co4 1 0.50000000 0.00000000 0.50000000 1.0\n Co Co5 1 0.00000000 0.50000000 0.00000000 1.0\n O O6 1 0.89895900 0.72050200 0.74433200 1.0\n O O7 1 0.27949800 0.10104100 0.75566800 1.0\n O O8 1 0.10104100 0.27949800 0.25566800 1.0\n O O9 1 0.72050200 0.89895900 0.24433200 1.0\n O O10 1 0.14252600 0.46291500 0.63837800 1.0\n O O11 1 0.53708500 0.85747400 0.86162200 1.0\n O O12 1 0.46291500 0.14252600 0.13837800 1.0\n O O13 1 0.85747400 0.53708500 0.36162200 1.0\n", "composition": {"Al": 2.0, "Co": 4.0, "O": 8.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al(CoO2)2", "identifiers": {"materials_project_id": "mp-1391681"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.269405468043074, "energy_above_hull": 0.3734128032142854, "formation_energy_per_atom": -1.714291212857143, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 6.0003822, "volume": 131.62629511535408}, "record_id": "mp-1391681", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.140866055057462, "alpha": 65.30611056817543, "b": 6.140866055057462, "beta": 65.30611056817543, "c": 5.155856303309956, "gamma": 107.32449110127034, "matrix": [[4.946701, 3.638734, 0.0], [-4.946701, 3.638734, 0.0], [0.0, 3.63511, 3.656341]], "pbc": [true, true, true], "volume": 131.62629511535408}, "properties": {}, "sites": [{"abc": [0.122354, 0.877646, 0.25], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-3.7362036916920003, 4.5475115, 0.91408525]}, {"abc": [0.877646, 0.122354, 0.75], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.7362036916920003, 6.365066499999999, 2.74225575]}, {"abc": [0.5, 0.5, 0.5], "label": "Co", "properties": {"magmom": 1.515}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 5.456289, 1.8281705]}, {"abc": [0.5, 0.5, 0.0], "label": "Co", "properties": {"magmom": 1.515}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 3.638734, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "Co", "properties": {"magmom": 1.522}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.4733505, 3.636922, 1.8281705]}, {"abc": [0.0, 0.5, 0.0], "label": "Co", "properties": {"magmom": 1.522}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-2.4733505, 1.819367, 0.0]}, {"abc": [0.898959, 0.720502, 0.744332], "label": "O", "properties": {"magmom": -0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8827734203570001, 8.598516498894, 2.7215316092119997]}, {"abc": [0.279498, 0.101041, 0.755668], "label": "O", "properties": {"magmom": -0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8827734203570001, 4.131616501106, 2.762979890788]}, {"abc": [0.101041, 0.279498, 0.255668], "label": "O", "properties": {"magmom": -0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.8827734203570001, 2.314061501106, 0.934809390788]}, {"abc": [0.720502, 0.898959, 0.244332], "label": "O", "properties": {"magmom": -0.019}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.8827734203570001, 6.7809614988939995, 0.893361109212]}, {"abc": [0.142526, 0.462915, 0.638378], "label": "O", "properties": {"magmom": -0.017}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.5848685866890002, 4.523613003274001, 2.334127654898]}, {"abc": [0.537085, 0.857474, 0.861622], "label": "O", "properties": {"magmom": -0.017}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.5848685866889998, 8.206519996726, 3.1503838451019996]}, {"abc": [0.462915, 0.142526, 0.138378], "label": "O", "properties": {"magmom": -0.017}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5848685866890002, 2.7060580032740003, 0.505957154898]}, {"abc": [0.857474, 0.537085, 0.361622], "label": "O", "properties": {"magmom": -0.017}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5848685866889998, 6.388964996726, 1.322213345102]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2yc", "number": 15, "point_group": "2/m", "symbol": "C2/c", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al(CoO2)2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.84780561\n_cell_length_b 5.84780561\n_cell_length_c 5.84780561\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al(CoO2)2\n_chemical_formula_sum 'Al2 Co4 O8'\n_cell_volume 141.40468032\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.75000000 0.75000000 0.75000000 1.0\n Al Al1 1 0.50000000 0.50000000 0.50000000 1.0\n Co Co2 1 0.12500000 0.12500000 0.62500000 1.0\n Co Co3 1 0.12500000 0.12500000 0.12500000 1.0\n Co Co4 1 0.12500000 0.62500000 0.12500000 1.0\n Co Co5 1 0.62500000 0.12500000 0.12500000 1.0\n O O6 1 0.87598500 0.37204400 0.87598500 1.0\n O O7 1 0.87795600 0.37401500 0.37401500 1.0\n O O8 1 0.37401500 0.37401500 0.87795600 1.0\n O O9 1 0.37401500 0.37401500 0.37401500 1.0\n O O10 1 0.37204400 0.87598500 0.87598500 1.0\n O O11 1 0.37401500 0.87795600 0.37401500 1.0\n O O12 1 0.87598500 0.87598500 0.37204400 1.0\n O O13 1 0.87598500 0.87598500 0.87598500 1.0\n", "composition": {"Al": 2.0, "Co": 4.0, "O": 8.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al(CoO2)2", "identifiers": {"materials_project_id": "mp-1442788"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.905016705659578, "energy_above_hull": 0.13435543107142767, "formation_energy_per_atom": -1.9533485850000005, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 13.999309, "volume": 141.40468031817454}, "record_id": "mp-1442788", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.847805607324683, "alpha": 59.99999999999999, "b": 5.847805607324683, "beta": 59.99999999999999, "c": 5.847805607324683, "gamma": 59.99999999999999, "matrix": [[0.0, 4.135023, 4.135023], [4.135023, 0.0, 4.135023], [4.135023, 4.135023, 0.0]], "pbc": [true, true, true], "volume": 141.40468031817454}, "properties": {}, "sites": [{"abc": [0.75, 0.75, 0.75], "label": "Al", "properties": {"magmom": 0.016}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [6.2025345000000005, 6.2025345000000005, 6.2025345000000005]}, {"abc": [0.5, 0.5, 0.5], "label": "Al", "properties": {"magmom": 0.016}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.135023, 4.135023, 4.135023]}, {"abc": [0.125, 0.125, 0.625], "label": "Co", "properties": {"magmom": 2.932}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.1012672500000003, 3.1012672500000003, 1.03375575]}, {"abc": [0.125, 0.125, 0.125], "label": "Co", "properties": {"magmom": 2.932}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.03375575, 1.03375575, 1.03375575]}, {"abc": [0.125, 0.625, 0.125], "label": "Co", "properties": {"magmom": 2.932}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.1012672500000003, 1.03375575, 3.1012672500000003]}, {"abc": [0.625, 0.125, 0.125], "label": "Co", "properties": {"magmom": 2.933}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.03375575, 3.1012672500000003, 3.1012672500000003]}, {"abc": [0.875985, 0.372044, 0.875985], "label": "O", "properties": {"magmom": 0.233}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.160628619667, 7.244436245310001, 5.160628619667]}, {"abc": [0.877956, 0.374015, 0.374015], "label": "O", "properties": {"magmom": 0.233}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.09312125469, 5.1769288803330005, 5.1769288803330005]}, {"abc": [0.374015, 0.374015, 0.877956], "label": "O", "properties": {"magmom": 0.233}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.1769288803330005, 5.1769288803330005, 3.09312125469]}, {"abc": [0.374015, 0.374015, 0.374015], "label": "O", "properties": {"magmom": 0.233}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.09312125469, 3.09312125469, 3.09312125469]}, {"abc": [0.372044, 0.875985, 0.875985], "label": "O", "properties": {"magmom": 0.233}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.244436245310001, 5.160628619667, 5.160628619667]}, {"abc": [0.374015, 0.877956, 0.374015], "label": "O", "properties": {"magmom": 0.233}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.1769288803330005, 3.09312125469, 5.1769288803330005]}, {"abc": [0.875985, 0.875985, 0.372044], "label": "O", "properties": {"magmom": 0.233}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.160628619667, 5.160628619667, 7.244436245310001]}, {"abc": [0.875985, 0.875985, 0.875985], "label": "O", "properties": {"magmom": 0.233}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.244436245310001, 7.244436245310001, 7.244436245310001]}], "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_Al(CoO2)3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.83266276\n_cell_length_b 5.83266276\n_cell_length_c 14.06719445\n_cell_angle_alpha 89.10006794\n_cell_angle_beta 89.10006794\n_cell_angle_gamma 59.99304961\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al(CoO2)3\n_chemical_formula_sum 'Al4 Co12 O24'\n_cell_volume 414.35254086\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.66668300 0.66668300 0.16665500 1.0\n Al Al1 1 0.33331700 0.33331700 0.83334500 1.0\n Al Al2 1 0.83471900 0.83471900 0.33481000 1.0\n Al Al3 1 0.16528100 0.16528100 0.66519000 1.0\n Co Co4 1 0.17236800 0.66474500 0.16421100 1.0\n Co Co5 1 0.50000000 0.00000000 0.50000000 1.0\n Co Co6 1 0.82763300 0.33525500 0.83578900 1.0\n Co Co7 1 0.16334600 0.16334600 0.04648200 1.0\n Co Co8 1 0.49007600 0.49007600 0.38277000 1.0\n Co Co9 1 0.83006600 0.83006600 0.70600500 1.0\n Co Co10 1 0.66474500 0.17236700 0.16421100 1.0\n Co Co11 1 0.00000000 0.50000000 0.50000000 1.0\n Co Co12 1 0.33525500 0.82763300 0.83578900 1.0\n Co Co13 1 0.16993400 0.16993400 0.29399500 1.0\n Co Co14 1 0.50992400 0.50992400 0.61723000 1.0\n Co Co15 1 0.83665400 0.83665400 0.95351800 1.0\n O O16 1 0.97006900 0.53933300 0.24981300 1.0\n O O17 1 0.34286200 0.86403400 0.58676000 1.0\n O O18 1 0.65247500 0.17048800 0.90169400 1.0\n O O19 1 0.53933300 0.97006900 0.24981300 1.0\n O O20 1 0.86403400 0.34286200 0.58676000 1.0\n O O21 1 0.17048800 0.65247500 0.90169400 1.0\n O O22 1 0.98340600 0.98340600 0.25325500 1.0\n O O23 1 0.31889200 0.31889200 0.57804300 1.0\n O O24 1 0.66747900 0.66747900 0.90090900 1.0\n O O25 1 0.82627300 0.82627300 0.08872800 1.0\n O O26 1 0.18514100 0.18514100 0.43193800 1.0\n O O27 1 0.49184100 0.49184100 0.75527200 1.0\n O O28 1 0.50815900 0.50815900 0.24472800 1.0\n O O29 1 0.81485900 0.81485900 0.56806200 1.0\n O O30 1 0.17372700 0.17372700 0.91127200 1.0\n O O31 1 0.33252100 0.33252100 0.09909100 1.0\n O O32 1 0.68110800 0.68110800 0.42195700 1.0\n O O33 1 0.01659400 0.01659400 0.74674500 1.0\n O O34 1 0.34752500 0.82951200 0.09830600 1.0\n O O35 1 0.65713800 0.13596600 0.41324000 1.0\n O O36 1 0.02993100 0.46066700 0.75018700 1.0\n O O37 1 0.82951200 0.34752500 0.09830600 1.0\n O O38 1 0.13596600 0.65713800 0.41324000 1.0\n O O39 1 0.46066700 0.02993100 0.75018700 1.0\n", "composition": {"Al": 4.0, "Co": 12.0, "O": 24.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al(CoO2)3", "identifiers": {"materials_project_id": "mp-1045074"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.805495232467902, "energy_above_hull": 0.06544749571428632, "formation_energy_per_atom": -1.72016798275, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 23.9999658, "volume": 414.35254086496457}, "record_id": "mp-1045074", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.832662761684924, "alpha": 89.10006793705412, "b": 5.832662761684924, "beta": 89.10006793705412, "c": 14.067194449381333, "gamma": 59.99304961068036, "matrix": [[2.916025, 5.051411, 0.0], [-2.916025, 5.051411, 0.0], [0.0, 0.255112, 14.064881]], "pbc": [true, true, true], "volume": 414.35254086496457}, "properties": {}, "sites": [{"abc": [0.666683, 0.666683, 0.166655], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 6.777895369786, 2.3439827430549998]}, {"abc": [0.333317, 0.333317, 0.833345], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 3.5800386302139997, 11.720898256945]}, {"abc": [0.834719, 0.834719, 0.33481], "label": "Al", "properties": {"magmom": 0.008}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 8.518431525738, 4.70906280761]}, {"abc": [0.165281, 0.165281, 0.66519], "label": "Al", "properties": {"magmom": 0.008}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 1.8395024742619999, 9.355818192389998]}, {"abc": [0.172368, 0.664745, 0.164211], "label": "Co", "properties": {"magmom": 0.136}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-1.435783641425, 4.270494013075, 2.3096081738909997]}, {"abc": [0.5, 0.0, 0.5], "label": "Co", "properties": {"magmom": 0.578}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.4580125, 2.6532615, 7.0324405]}, {"abc": [0.827633, 0.335255, 0.835789], "label": "Co", "properties": {"magmom": 0.138}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.4357865574499997, 6.087445038336, 11.755272826109]}, {"abc": [0.163346, 0.163346, 0.046482], "label": "Co", "properties": {"magmom": 2.95}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 1.662113678396, 0.6537637986420001]}, {"abc": [0.490076, 0.490076, 0.38277], "label": "Co", "properties": {"magmom": 2.892}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 5.048799814712, 5.38361450037]}, {"abc": [0.830066, 0.830066, 0.706005], "label": "Co", "properties": {"magmom": 2.749}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 8.566119393811999, 9.929876310405]}, {"abc": [0.664745, 0.172367, 0.164211], "label": "Co", "properties": {"magmom": 0.137}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.4357865574500002, 4.270488961664, 2.3096081738909997]}, {"abc": [0.0, 0.5, 0.5], "label": "Co", "properties": {"magmom": 0.578}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-1.4580125, 2.6532615, 7.0324405]}, {"abc": [0.335255, 0.827633, 0.835789], "label": "Co", "properties": {"magmom": 0.137}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-1.4357865574499997, 6.087445038336, 11.755272826109]}, {"abc": [0.169934, 0.169934, 0.293995], "label": "Co", "properties": {"magmom": 2.749}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 1.7918146061879998, 4.135004689595]}, {"abc": [0.509924, 0.509924, 0.61723], "label": "Co", "properties": {"magmom": 2.892}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 5.309134185288, 8.681266499629999]}, {"abc": [0.836654, 0.836654, 0.953518], "label": "Co", "properties": {"magmom": 2.95}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 8.695820321604, 13.411117201358]}, {"abc": [0.970069, 0.539333, 0.249813], "label": "O", "properties": {"magmom": 0.079}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2560369443999997, 7.688340160277999, 3.513590117253]}, {"abc": [0.342862, 0.864034, 0.58676], "label": "O", "properties": {"magmom": 0.267}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.5197505812999998, 6.246217247375999, 8.252709575559999]}, {"abc": [0.652475, 0.170488, 0.901694], "label": "O", "properties": {"magmom": 0.263}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.405486141675, 4.387157310520999, 12.682218808414]}, {"abc": [0.539333, 0.970069, 0.249813], "label": "O", "properties": {"magmom": 0.079}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.2560369443999997, 7.688340160277999, 3.513590117253]}, {"abc": [0.864034, 0.342862, 0.58676], "label": "O", "properties": {"magmom": 0.267}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5197505812999998, 6.246217247375999, 8.252709575559999]}, {"abc": [0.170488, 0.652475, 0.901694], "label": "O", "properties": {"magmom": 0.263}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.405486141675, 4.387157310520999, 12.682218808414]}, {"abc": [0.983406, 0.983406, 0.253255], "label": "O", "properties": {"magmom": 0.053}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 9.999784161292, 3.562001437655]}, {"abc": [0.318892, 0.318892, 0.578043], "label": "O", "properties": {"magmom": 0.026}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.36917481904, 8.130106007882999]}, {"abc": [0.667479, 0.667479, 0.900909], "label": "O", "properties": {"magmom": 0.271}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.973254222546, 12.671177876828999]}, {"abc": [0.826273, 0.826273, 0.088728], "label": "O", "properties": {"magmom": 0.083}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.370324619942, 1.247948761368]}, {"abc": [0.185141, 0.185141, 0.431938], "label": "O", "properties": {"magmom": 0.263}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.980639134958, 6.075156569378]}, {"abc": [0.491841, 0.491841, 0.755272], "label": "O", "properties": {"magmom": 0.091}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 5.161661025766, 10.622810802632001]}, {"abc": [0.508159, 0.508159, 0.244728], "label": "O", "properties": {"magmom": 0.092}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 5.196272974234, 3.442070197368]}, {"abc": [0.814859, 0.814859, 0.568062], "label": "O", "properties": {"magmom": 0.263}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.377294865042, 7.989724430621999]}, {"abc": [0.173727, 0.173727, 0.911272], "label": "O", "properties": {"magmom": 0.083}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.9876093800579997, 12.816932238631999]}, {"abc": [0.332521, 0.332521, 0.099091], "label": "O", "properties": {"magmom": 0.271}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.3846797774539996, 1.393703123171]}, {"abc": [0.681108, 0.681108, 0.421957], "label": "O", "properties": {"magmom": 0.026}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.98875918096, 5.934774992117]}, {"abc": [0.016594, 0.016594, 0.746745], "label": "O", "properties": {"magmom": 0.053}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.358149838708, 10.502879562344999]}, {"abc": [0.347525, 0.829512, 0.098306], "label": "O", "properties": {"magmom": 0.263}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4054861416750002, 5.970776689479, 1.382662191586]}, {"abc": [0.657138, 0.135966, 0.41324], "label": "O", "properties": {"magmom": 0.267}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5197505812999998, 4.111716752624, 5.81217142444]}, {"abc": [0.029931, 0.460667, 0.750187], "label": "O", "properties": {"magmom": 0.079}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.2560369444, 2.669593839722, 10.551290882747]}, {"abc": [0.829512, 0.347525, 0.098306], "label": "O", "properties": {"magmom": 0.263}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4054861416750002, 5.970776689479, 1.382662191586]}, {"abc": [0.135966, 0.657138, 0.41324], "label": "O", "properties": {"magmom": 0.267}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.5197505812999998, 4.111716752624, 5.81217142444]}, {"abc": [0.460667, 0.029931, 0.750187], "label": "O", "properties": {"magmom": 0.079}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2560369444, 2.669593839722, 10.551290882747]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al2Co2O7\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.51888398\n_cell_length_b 6.63652430\n_cell_length_c 6.50244286\n_cell_angle_alpha 59.74891111\n_cell_angle_beta 59.28271378\n_cell_angle_gamma 59.81123011\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2Co2O7\n_chemical_formula_sum 'Al4 Co4 O14'\n_cell_volume 197.16479718\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.50000000 0.00000000 0.50000000 1.0\n Al Al1 1 0.00000000 0.50000000 0.50000000 1.0\n Al Al2 1 0.50000000 0.50000000 0.00000000 1.0\n Al Al3 1 0.50000000 0.50000000 0.50000000 1.0\n Co Co4 1 0.00000000 0.50000000 0.00000000 1.0\n Co Co5 1 0.50000000 0.00000000 0.00000000 1.0\n Co Co6 1 0.00000000 0.00000000 0.50000000 1.0\n Co Co7 1 0.00000000 0.00000000 0.00000000 1.0\n O O8 1 0.62106500 0.63048700 0.61929000 1.0\n O O9 1 0.37893500 0.36951300 0.38071000 1.0\n O O10 1 0.34927400 0.92304900 0.88880700 1.0\n O O11 1 0.07888600 0.65585400 0.65727800 1.0\n O O12 1 0.90266300 0.34114700 0.89946400 1.0\n O O13 1 0.88662700 0.92853100 0.34753200 1.0\n O O14 1 0.34255400 0.34618300 0.91746600 1.0\n O O15 1 0.33543300 0.88041500 0.33545800 1.0\n O O16 1 0.92111400 0.34414600 0.34272200 1.0\n O O17 1 0.65744600 0.65381700 0.08253400 1.0\n O O18 1 0.11337300 0.07146900 0.65246800 1.0\n O O19 1 0.65072600 0.07695100 0.11119300 1.0\n O O20 1 0.66456700 0.11958500 0.66454200 1.0\n O O21 1 0.09733700 0.65885300 0.10053600 1.0\n", "composition": {"Al": 4.0, "Co": 4.0, "O": 14.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2Co2O7", "identifiers": {"materials_project_id": "mp-1248317"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.5769000000000002, "density": 4.78080216820085, "energy_above_hull": 0.2374794050000002, "formation_energy_per_atom": -1.9050070495454554, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 4.0002161, "volume": 197.16479718282196}, "record_id": "mp-1248317", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.518883977790754, "alpha": 59.74891111272628, "b": 6.636524297906548, "beta": 59.28271377985769, "c": 6.502442857977685, "gamma": 59.81123010960432, "matrix": [[5.627374, 0.03453, 3.290489], [1.904708, 5.435608, 3.296924], [0.045414, 0.039875, 6.502162]], "pbc": [true, true, true], "volume": 197.16479718282196}, "properties": {}, "sites": [{"abc": [0.5, 0.0, 0.5], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.836394, 0.0372025, 4.8963255]}, {"abc": [0.0, 0.5, 0.5], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.9750610000000001, 2.7377415000000003, 4.899543]}, {"abc": [0.5, 0.5, 0.0], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.766041, 2.735069, 3.2937065]}, {"abc": [0.5, 0.5, 0.5], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.788748, 2.7550065000000004, 6.5447875]}, {"abc": [0.0, 0.5, 0.0], "label": "Co", "properties": {"magmom": 1.027}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.952354, 2.717804, 1.648462]}, {"abc": [0.5, 0.0, 0.0], "label": "Co", "properties": {"magmom": 0.978}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.813687, 0.017265, 1.6452445]}, {"abc": [0.0, 0.0, 0.5], "label": "Co", "properties": {"magmom": 0.97}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.022707, 0.0199375, 3.251081]}, {"abc": [0.0, 0.0, 0.0], "label": "Co", "properties": {"magmom": 1.029}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.621065, 0.630487, 0.61929], "label": "O", "properties": {"magmom": 0.007}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.723983102166, 3.473219744296, 8.148999177753002]}, {"abc": [0.378935, 0.369513, 0.38071], "label": "O", "properties": {"magmom": 0.007}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.853512897834, 2.036793255704, 4.940575822247]}, {"abc": [0.349274, 0.923049, 0.888807], "label": "O", "properties": {"magmom": -0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.7639985222659997, 5.064834139137, 9.971671756995999]}, {"abc": [0.078886, 0.655854, 0.657278], "label": "O", "properties": {"magmom": -0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7229810090880002, 3.5938981430620003, 6.695602343386]}, {"abc": [0.902663, 0.341147, 0.899464], "label": "O", "properties": {"magmom": -0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.770255975134, 1.9213764427659998, 9.943399045203002]}, {"abc": [0.886627, 0.928531, 0.347532], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.773744969694, 5.091603600658, 8.238441893431002]}, {"abc": [0.342554, 0.346183, 0.917466], "label": "O", "properties": {"magmom": -0.031}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.628722803684, 1.9301274306340002, 8.23402177149]}, {"abc": [0.335433, 0.880415, 0.335458], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.5797749263739997, 4.810549706560001, 6.187602200393]}, {"abc": [0.921114, 0.344146, 0.342722], "label": "O", "properties": {"magmom": -0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.854514990912, 1.916114856938, 6.393972656614]}, {"abc": [0.657446, 0.653817, 0.082534], "label": "O", "properties": {"magmom": -0.031}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.948773196315999, 3.579885569366, 4.855553228510001]}, {"abc": [0.113373, 0.071469, 0.652468], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8037510303059999, 0.418409399342, 4.851133106569001]}, {"abc": [0.650726, 0.076951, 0.111193], "label": "O", "properties": {"magmom": -0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.813497477734, 0.44517886086300007, 3.117903243004]}, {"abc": [0.664567, 0.119585, 0.664542], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.9977210736259994, 0.69946329344, 6.901972799607]}, {"abc": [0.097337, 0.658853, 0.100536], "label": "O", "properties": {"magmom": -0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.807240024866, 3.588636557234, 3.1461759547970005]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al2Co2O7\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.53189748\n_cell_length_b 6.53189748\n_cell_length_c 6.53189748\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2Co2O7\n_chemical_formula_sum 'Al4 Co4 O14'\n_cell_volume 197.06208831\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.62500000 0.62500000 0.12500000 1.0\n Al Al1 1 0.62500000 0.12500000 0.62500000 1.0\n Al Al2 1 0.12500000 0.62500000 0.62500000 1.0\n Al Al3 1 0.62500000 0.62500000 0.62500000 1.0\n Co Co4 1 0.12500000 0.12500000 0.62500000 1.0\n Co Co5 1 0.12500000 0.62500000 0.12500000 1.0\n Co Co6 1 0.62500000 0.12500000 0.12500000 1.0\n Co Co7 1 0.12500000 0.12500000 0.12500000 1.0\n O O8 1 0.75000000 0.75000000 0.75000000 1.0\n O O9 1 0.50000000 0.50000000 0.50000000 1.0\n O O10 1 0.03282100 0.46717900 0.03282100 1.0\n O O11 1 0.78282100 0.21717900 0.78282100 1.0\n O O12 1 0.03282100 0.03282100 0.46717900 1.0\n O O13 1 0.46717900 0.03282100 0.03282100 1.0\n O O14 1 0.03282100 0.46717900 0.46717900 1.0\n O O15 1 0.46717900 0.46717900 0.03282100 1.0\n O O16 1 0.46717900 0.03282100 0.46717900 1.0\n O O17 1 0.21717900 0.78282100 0.78282100 1.0\n O O18 1 0.78282100 0.21717900 0.21717900 1.0\n O O19 1 0.21717900 0.78282100 0.21717900 1.0\n O O20 1 0.78282100 0.78282100 0.21717900 1.0\n O O21 1 0.21717900 0.21717900 0.78282100 1.0\n", "composition": {"Al": 4.0, "Co": 4.0, "O": 14.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2Co2O7", "identifiers": {"materials_project_id": "mp-1376528"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.783293924980954, "energy_above_hull": 0.29851877227272805, "formation_energy_per_atom": -1.8439676822727271, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 4.000203, "volume": 197.06208831151213}, "record_id": "mp-1376528", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.5318974769971705, "alpha": 59.99999999999999, "b": 6.5318974769971705, "beta": 59.99999999999999, "c": 6.5318974769971705, "gamma": 59.99999999999999, "matrix": [[0.0, 4.618749, 4.618749], [4.618749, 0.0, 4.618749], [4.618749, 4.618749, 0.0]], "pbc": [true, true, true], "volume": 197.06208831151213}, "properties": {}, "sites": [{"abc": [0.625, 0.625, 0.125], "label": "Al", "properties": {"magmom": 0.001}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.4640617500000004, 3.4640617500000004, 5.7734362500000005]}, {"abc": [0.625, 0.125, 0.625], "label": "Al", "properties": {"magmom": 0.001}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [3.4640617500000004, 5.7734362500000005, 3.4640617500000004]}, {"abc": [0.125, 0.625, 0.625], "label": "Al", "properties": {"magmom": 0.001}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [5.7734362500000005, 3.4640617500000004, 3.4640617500000004]}, {"abc": [0.625, 0.625, 0.625], "label": "Al", "properties": {"magmom": 0.001}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [5.7734362500000005, 5.7734362500000005, 5.7734362500000005]}, {"abc": [0.125, 0.125, 0.625], "label": "Co", "properties": {"magmom": 0.589}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.4640617500000004, 3.4640617500000004, 1.15468725]}, {"abc": [0.125, 0.625, 0.125], "label": "Co", "properties": {"magmom": 0.589}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.4640617500000004, 1.15468725, 3.4640617500000004]}, {"abc": [0.625, 0.125, 0.125], "label": "Co", "properties": {"magmom": 0.589}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.15468725, 3.4640617500000004, 3.4640617500000004]}, {"abc": [0.125, 0.125, 0.125], "label": "Co", "properties": {"magmom": 0.589}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.15468725, 1.15468725, 1.15468725]}, {"abc": [0.75, 0.75, 0.75], "label": "O", "properties": {"magmom": 0.014}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.9281235, 6.9281235, 6.9281235]}, {"abc": [0.5, 0.5, 0.5], "label": "O", "properties": {"magmom": 0.014}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.618749, 4.618749, 4.618749]}, {"abc": [0.032821, 0.467179, 0.032821], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.3093745000000006, 0.303183921858, 2.3093745000000006]}, {"abc": [0.782821, 0.217179, 0.782821], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.618749, 7.231307421858, 4.618749]}, {"abc": [0.032821, 0.032821, 0.467179], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.3093745000000006, 2.3093745000000006, 0.303183921858]}, {"abc": [0.467179, 0.032821, 0.032821], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.303183921858, 2.3093745000000006, 2.3093745000000006]}, {"abc": [0.032821, 0.467179, 0.467179], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.315565078142001, 2.3093745000000006, 2.3093745000000006]}, {"abc": [0.467179, 0.467179, 0.032821], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.3093745000000006, 2.3093745000000006, 4.315565078142001]}, {"abc": [0.467179, 0.032821, 0.467179], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.3093745000000006, 4.315565078142001, 2.3093745000000006]}, {"abc": [0.217179, 0.782821, 0.782821], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.231307421858, 4.618749, 4.618749]}, {"abc": [0.782821, 0.217179, 0.217179], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.006190578142, 4.618749, 4.618749]}, {"abc": [0.217179, 0.782821, 0.217179], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.618749, 2.006190578142, 4.618749]}, {"abc": [0.782821, 0.782821, 0.217179], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.618749, 4.618749, 7.231307421858]}, {"abc": [0.217179, 0.217179, 0.782821], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.618749, 4.618749, 2.006190578142]}], "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_Al2CoO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.71383308\n_cell_length_b 5.71383331\n_cell_length_c 5.71358827\n_cell_angle_alpha 59.99858220\n_cell_angle_beta 59.99858262\n_cell_angle_gamma 60.00000135\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2CoO4\n_chemical_formula_sum 'Al4 Co2 O8'\n_cell_volume 131.89846999\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.12500000 0.62500000 0.62500000 1.0\n Al Al1 1 0.62500000 0.62500000 0.12500000 1.0\n Al Al2 1 0.62500000 0.12500000 0.62500000 1.0\n Al Al3 1 0.62500000 0.62500000 0.62500000 1.0\n Co Co4 1 0.00002802 0.00002802 -0.00008407 1.0\n Co Co5 1 0.24997198 0.24997198 0.25008407 1.0\n O O6 1 0.83169658 0.38944988 0.38940365 1.0\n O O7 1 0.86055012 0.86055012 0.86059635 1.0\n O O8 1 0.38944988 0.83169658 0.38940365 1.0\n O O9 1 0.38943675 0.38943675 0.83169074 1.0\n O O10 1 0.86056325 0.86056325 0.41830926 1.0\n O O11 1 0.86055012 0.41830342 0.86059635 1.0\n O O12 1 0.38944988 0.38944988 0.38940365 1.0\n O O13 1 0.41830342 0.86055012 0.86059635 1.0\n", "composition": {"Al": 4.0, "Co": 2.0, "O": 8.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2CoO4", "identifiers": {"materials_project_id": "mp-36447"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 3.223700000000001, "density": 4.454019608444233, "energy_above_hull": 0.021735825714284118, "formation_energy_per_atom": -2.863333982142858, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 6.0000002, "volume": 131.898469994946}, "record_id": "mp-36447", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.71383308, "alpha": 59.998582204878765, "b": 5.7138333135983315, "beta": 59.99858262227642, "c": 5.7135882698401, "gamma": 60.00000135239692, "matrix": [[5.71383308, 0.0, 0.0], [2.85691654, 4.94832487, 0.0], [2.85691654, 1.64944162, 4.66502531]], "pbc": [true, true, true], "volume": 131.898469994946}, "properties": {}, "sites": [{"abc": [0.125, 0.625, 0.625], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.2853748099999995, 4.1236040562500005, 2.91564081875]}, {"abc": [0.625, 0.625, 0.125], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [5.71383308, 3.2988832462500004, 0.58312816375]}, {"abc": [0.625, 0.125, 0.625], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [5.71383308, 1.64944162125, 2.91564081875]}, {"abc": [0.625, 0.625, 0.625], "label": "Al", "properties": {}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [7.14229135, 4.1236040562500005, 2.91564081875]}, {"abc": [2.802e-05, 2.802e-05, -8.407e-05], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-2.8569165400012036e-08, -1.6494135999975098e-08, -0.00039218867781169996]}, {"abc": [0.24997198, 0.24997198, 0.25008407], "label": "Co", "properties": {}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.856916568569165, 1.649441638994136, 1.1666485161778117]}, {"abc": [0.83169658, 0.38944988, 0.38940365], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.977294963421252, 2.569423114112429, 1.8165778830563815]}, {"abc": [0.86055012, 0.86055012, 0.86059635], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.834211560559583, 5.677784998387571, 4.014703754443619]}, {"abc": [0.38944988, 0.83169658, 0.38940365], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.713833051430835, 4.757803458397858, 1.8165778830563815]}, {"abc": [0.38943675, 0.38943675, 0.83169074], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.713835908347374, 3.2988848768415715, 3.8798583521926293]}, {"abc": [0.86056325, 0.86056325, 0.41830926], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.570746791652626, 4.948323235658429, 1.9514232853073705]}, {"abc": [0.86055012, 0.41830342, 0.86059635], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.570749648569166, 3.4894046541021426, 4.014703754443619]}, {"abc": [0.38944988, 0.38944988, 0.38940365], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.450371139440417, 2.569423114112429, 1.8165778830563815]}, {"abc": [0.41830342, 0.86055012, 0.86059635], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.307287736578747, 5.677784998387571, 4.014703754443619]}], "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_Al2CoO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.78268933\n_cell_length_b 5.78268933\n_cell_length_c 14.15898761\n_cell_angle_alpha 89.65203420\n_cell_angle_beta 89.65203420\n_cell_angle_gamma 59.84643796\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2CoO4\n_chemical_formula_sum 'Al12 Co6 O24'\n_cell_volume 409.39052429\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 Al Al0 1 0.33166700 0.33166700 0.91472200 1.0\n Al Al1 1 0.83250300 0.32954400 0.79201400 1.0\n Al Al2 1 0.83401600 0.83401600 0.79217600 1.0\n Al Al3 1 0.32954400 0.83250300 0.79201400 1.0\n Al Al4 1 0.16677800 0.66604100 0.45782700 1.0\n Al Al5 1 0.99972300 0.99972300 0.62428200 1.0\n Al Al6 1 0.16663200 0.16663200 0.45783600 1.0\n Al Al7 1 0.66604100 0.16677800 0.45782700 1.0\n Al Al8 1 0.50421600 0.99615500 0.12510300 1.0\n Al Al9 1 0.33330300 0.33330300 0.29112600 1.0\n Al Al10 1 0.50253400 0.50253400 0.12502300 1.0\n Al Al11 1 0.99615500 0.50421600 0.12510300 1.0\n Co Co12 1 0.00110800 0.00110800 0.00234000 1.0\n Co Co13 1 0.33311900 0.33311900 0.66659800 1.0\n Co Co14 1 0.66666300 0.66666300 0.96049700 1.0\n Co Co15 1 0.66648400 0.66648400 0.58490800 1.0\n Co Co16 1 0.66644000 0.66644000 0.33402000 1.0\n Co Co17 1 0.99978800 0.99978800 0.24723000 1.0\n O O18 1 0.99130800 0.50145700 0.86790400 1.0\n O O19 1 0.66693900 0.66693900 0.72761200 1.0\n O O20 1 0.49796100 0.49796100 0.86411300 1.0\n O O21 1 0.50145700 0.99130800 0.86790400 1.0\n O O22 1 0.14606500 0.70623700 0.71205600 1.0\n O O23 1 0.29577900 0.85110900 0.53678000 1.0\n O O24 1 0.14623400 0.14623400 0.71242900 1.0\n O O25 1 0.00038000 0.00038000 0.38862200 1.0\n O O26 1 0.85208900 0.85208900 0.53700400 1.0\n O O27 1 0.99865000 0.99865000 0.86125800 1.0\n O O28 1 0.85110900 0.29577900 0.53678000 1.0\n O O29 1 0.70623700 0.14606500 0.71205600 1.0\n O O30 1 0.62399800 0.18859900 0.20250100 1.0\n O O31 1 0.48119400 0.03853400 0.37992900 1.0\n O O32 1 0.48023300 0.48023300 0.37977000 1.0\n O O33 1 0.33407300 0.33407300 0.04391400 1.0\n O O34 1 0.33257100 0.33257100 0.52736100 1.0\n O O35 1 0.18801600 0.18801600 0.20192200 1.0\n O O36 1 0.18859900 0.62399800 0.20250100 1.0\n O O37 1 0.03853400 0.48119400 0.37992900 1.0\n O O38 1 0.81933500 0.36585500 0.05174000 1.0\n O O39 1 0.82419200 0.82419200 0.05654900 1.0\n O O40 1 0.66559400 0.66559400 0.19614200 1.0\n O O41 1 0.36585500 0.81933500 0.05174000 1.0\n", "composition": {"Al": 12.0, "Co": 6.0, "O": 24.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2CoO4", "identifiers": {"materials_project_id": "mp-37621"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.4719000000000007, "density": 4.305021759116478, "energy_above_hull": 0.03799917928571439, "formation_energy_per_atom": -2.847070628571428, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 17.9971372, "volume": 409.39052428983626}, "record_id": "mp-37621", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.782689327677651, "alpha": 89.65203420006621, "b": 5.782689327677651, "beta": 89.65203420006621, "c": 14.158987614438576, "gamma": 59.84643795609735, "matrix": [[2.884631, 5.011826, 0.0], [-2.884631, 5.011826, 0.0], [0.0, 0.099215, 14.15864]], "pbc": [true, true, true], "volume": 409.39052428983626}, "properties": {}, "sites": [{"abc": [0.331667, 0.331667, 0.914722], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 3.4152687311139998, 12.95121949808]}, {"abc": [0.832503, 0.329544, 0.792014], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.450851123129, 5.9025570368319995, 11.21384110096]}, {"abc": [0.834016, 0.834016, 0.792176], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 8.438481888272, 11.21613480064]}, {"abc": [0.329544, 0.832503, 0.792014], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.450851123129, 5.9025570368319995, 11.21384110096]}, {"abc": [0.166778, 0.666041, 0.457827], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.440189526953, 4.219367223299001, 6.48220767528]}, {"abc": [0.999723, 0.999723, 0.624282], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 10.082813587026, 8.83898409648]}, {"abc": [0.166632, 0.166632, 0.457836], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 1.715685378804, 6.4823351030400005]}, {"abc": [0.666041, 0.166778, 0.457827], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.440189526953, 4.219367223299001, 6.48220767528]}, {"abc": [0.504216, 0.996155, 0.125103], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4190624895090003, 7.5320104815910005, 1.77128833992]}, {"abc": [0.333303, 0.333303, 0.291126], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 3.3697973486460002, 4.12194822864]}, {"abc": [0.502534, 0.502534, 0.125023], "label": "Al", "properties": {"magmom": 0.005}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 5.049630091113, 1.7701556487199999]}, {"abc": [0.996155, 0.504216, 0.125103], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4190624895090003, 7.5320104815910005, 1.77128833992]}, {"abc": [0.001108, 0.001108, 0.00234], "label": "Co", "properties": {"magmom": 2.688}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.011338369516, 0.0331312176]}, {"abc": [0.333119, 0.333119, 0.666598], "label": "Co", "properties": {"magmom": 2.699}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 3.4052054511580003, 9.43812110672]}, {"abc": [0.666663, 0.666663, 0.960497], "label": "Co", "properties": {"magmom": 2.689}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.777693623131, 13.59933124408]}, {"abc": [0.666484, 0.666484, 0.584908], "label": "Co", "properties": {"magmom": 2.705}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.738635326788, 8.28150180512]}, {"abc": [0.66644, 0.66644, 0.33402], "label": "Co", "properties": {"magmom": 2.697}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.713302433180001, 4.7292689328]}, {"abc": [0.999788, 0.999788, 0.24723], "label": "Co", "properties": {"magmom": 2.708}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 10.046055910226, 3.5004405672]}, {"abc": [0.991308, 0.501457, 0.867904], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4130393799810002, 7.56758753425, 12.28834029056]}, {"abc": [0.666939, 0.666939, 0.727612], "label": "O", "properties": {"magmom": 0.032}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.757354465808, 10.301996367680001]}, {"abc": [0.497961, 0.497961, 0.864113], "label": "O", "properties": {"magmom": 0.032}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 5.077120744867, 12.234664886320001]}, {"abc": [0.501457, 0.991308, 0.867904], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4130393799810002, 7.56758753425, 12.28834029056]}, {"abc": [0.146065, 0.706237, 0.712056], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.6158895165320002, 4.342235959492, 10.081744563840001]}, {"abc": [0.295779, 0.851109, 0.53678], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.60192213323, 5.801259725188, 7.600074779200001]}, {"abc": [0.146234, 0.146234, 0.712429], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.5364823698030001, 10.08702573656]}, {"abc": [0.00038, 0.00038, 0.388622], "label": "O", "properties": {"magmom": 0.041}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.04236611949, 5.502358994080001]}, {"abc": [0.852089, 0.852089, 0.537004], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.594322460888, 7.603246314560001]}, {"abc": [0.99865, 0.99865, 0.861258], "label": "O", "properties": {"magmom": 0.033}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 10.095569782270001, 12.19424196912]}, {"abc": [0.851109, 0.295779, 0.53678], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.60192213323, 5.801259725188, 7.600074779200001]}, {"abc": [0.706237, 0.146065, 0.712056], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6158895165320002, 4.342235959492, 10.081744563840001]}, {"abc": [0.623998, 0.188599, 0.202501], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2559654527690003, 4.092685908837001, 2.86713875864]}, {"abc": [0.481194, 0.038534, 0.379929], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2769107584600001, 2.6424809590630005, 5.37927793656]}, {"abc": [0.480233, 0.480233, 0.37977], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 4.851367351466, 5.3770267128]}, {"abc": [0.334073, 0.334073, 0.043914], "label": "O", "properties": {"magmom": 0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.3529884221060002, 0.6217625169600001]}, {"abc": [0.332571, 0.332571, 0.527361], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.3858980909070002, 7.46671454904]}, {"abc": [0.188016, 0.188016, 0.201922], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.904640645662, 2.85894090608]}, {"abc": [0.188599, 0.623998, 0.202501], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.2559654527690003, 4.092685908837001, 2.86713875864]}, {"abc": [0.038534, 0.481194, 0.379929], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.2769107584600001, 2.6424809590630005, 5.37927793656]}, {"abc": [0.819335, 0.365855, 0.05174], "label": "O", "properties": {"magmom": 0.097}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3081224658800004, 5.94509944104, 0.7325680336]}, {"abc": [0.824192, 0.824192, 0.056549], "label": "O", "properties": {"magmom": 0.093}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.267024298219, 0.80065693336]}, {"abc": [0.665594, 0.665594, 0.196142], "label": "O", "properties": {"magmom": 0.049}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.691142857818, 2.7771039668800004]}, {"abc": [0.365855, 0.819335, 0.05174], "label": "O", "properties": {"magmom": 0.097}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.3081224658800004, 5.94509944104, 0.7325680336]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al2CoO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 19.21729334\n_cell_length_b 19.21729334\n_cell_length_c 19.21729366\n_cell_angle_alpha 17.29442570\n_cell_angle_beta 17.29442570\n_cell_angle_gamma 17.29442593\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2CoO4\n_chemical_formula_sum 'Al16 Co8 O32'\n_cell_volume 547.30436697\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 Al Al0 1 0.31127700 0.31127700 0.31127700 1.0\n Al Al1 1 0.27439600 0.78473000 0.78473000 1.0\n Al Al2 1 0.78473000 0.78473000 0.27439600 1.0\n Al Al3 1 0.56209900 0.56209900 0.56209900 1.0\n Al Al4 1 0.78473000 0.27439600 0.78473000 1.0\n Al Al5 1 0.52760700 0.03292500 0.03292500 1.0\n Al Al6 1 0.03292500 0.03292500 0.52760700 1.0\n Al Al7 1 0.03292500 0.52760700 0.03292500 1.0\n Al Al8 1 0.78071600 0.28117000 0.28117000 1.0\n Al Al9 1 0.28117000 0.28117000 0.78071600 1.0\n Al Al10 1 0.15589900 0.15589900 0.15589900 1.0\n Al Al11 1 0.28117000 0.78071600 0.28117000 1.0\n Al Al12 1 0.02736800 0.53342500 0.53342500 1.0\n Al Al13 1 0.53342500 0.53342500 0.02736800 1.0\n Al Al14 1 0.40611800 0.40611800 0.40611800 1.0\n Al Al15 1 0.53342500 0.02736800 0.53342500 1.0\n Co Co16 1 0.00084900 0.00084900 0.00084900 1.0\n Co Co17 1 0.65702000 0.65702000 0.65702000 1.0\n Co Co18 1 0.25052700 0.25052700 0.25052700 1.0\n Co Co19 1 0.90649400 0.90649400 0.90649400 1.0\n Co Co20 1 0.81284600 0.81284600 0.81284600 1.0\n Co Co21 1 0.49984300 0.49984300 0.49984300 1.0\n Co Co22 1 0.06162400 0.06162400 0.06162400 1.0\n Co Co23 1 0.75021800 0.75021800 0.75021800 1.0\n O O24 1 0.47205800 0.95533900 0.47205800 1.0\n O O25 1 0.47205800 0.47205800 0.95533900 1.0\n O O26 1 0.59513400 0.59513400 0.59513400 1.0\n O O27 1 0.95533900 0.47205800 0.47205800 1.0\n O O28 1 0.62366700 0.08320600 0.08320600 1.0\n O O29 1 0.71757000 0.21425000 0.71757000 1.0\n O O30 1 0.71757000 0.71757000 0.21425000 1.0\n O O31 1 0.96593500 0.96593500 0.96593500 1.0\n O O32 1 0.84859800 0.84859800 0.84859800 1.0\n O O33 1 0.08320600 0.08320600 0.62366700 1.0\n O O34 1 0.21425000 0.71757000 0.71757000 1.0\n O O35 1 0.08320600 0.62366700 0.08320600 1.0\n O O36 1 0.88503500 0.32437200 0.32437200 1.0\n O O37 1 0.98627500 0.42989400 0.98627500 1.0\n O O38 1 0.98627500 0.98627500 0.42989400 1.0\n O O39 1 0.32437200 0.32437200 0.88503500 1.0\n O O40 1 0.21524600 0.21524600 0.21524600 1.0\n O O41 1 0.09709000 0.09709000 0.09709000 1.0\n O O42 1 0.42989400 0.98627500 0.98627500 1.0\n O O43 1 0.32437200 0.88503500 0.32437200 1.0\n O O44 1 0.13405100 0.57545000 0.57545000 1.0\n O O45 1 0.23911700 0.67376300 0.23911700 1.0\n O O46 1 0.23911700 0.23911700 0.67376300 1.0\n O O47 1 0.34384300 0.34384300 0.34384300 1.0\n O O48 1 0.46512800 0.46512800 0.46512800 1.0\n O O49 1 0.57545000 0.57545000 0.13405100 1.0\n O O50 1 0.67376300 0.23911700 0.23911700 1.0\n O O51 1 0.57545000 0.13405100 0.57545000 1.0\n O O52 1 0.37273300 0.83445000 0.83445000 1.0\n O O53 1 0.83445000 0.83445000 0.37273300 1.0\n O O54 1 0.71589600 0.71589600 0.71589600 1.0\n O O55 1 0.83445000 0.37273300 0.83445000 1.0\n", "composition": {"Al": 16.0, "Co": 8.0, "O": 32.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2CoO4", "identifiers": {"materials_project_id": "mp-530284"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.2936136244377225, "energy_above_hull": 0.0779126783928561, "formation_energy_per_atom": -2.8071571294642865, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 24.0010221, "volume": 547.3043669673161}, "record_id": "mp-530284", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 19.217293336223236, "alpha": 17.294425695316495, "b": 19.217293336223236, "beta": 17.294425695316495, "c": 19.217293664701543, "gamma": 17.294425928480045, "matrix": [[18.998847, -2.889321, 0.0], [18.998847, 2.889321, 0.0], [18.559443, 0.0, 4.985123]], "pbc": [true, true, true], "volume": 547.3043669673161}, "properties": {}, "sites": [{"abc": [0.311277, 0.311277, 0.311277], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [17.604935933949, 0.0, 1.551754132071]}, {"abc": [0.274396, 0.78473, 0.78473], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [34.68632453311201, 1.4745187432140003, 3.91197557179]}, {"abc": [0.78473, 0.78473, 0.274396], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [34.910567334048004, 0.0, 1.3678978107079998]}, {"abc": [0.562099, 0.562099, 0.562099], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [31.790710150563005, 0.0, 2.802132653177]}, {"abc": [0.78473, 0.274396, 0.78473], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [34.68632453311201, -1.4745187432140003, 3.91197557179]}, {"abc": [0.527607, 0.032925, 0.032925], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [11.260531367379002, -1.4292950909220001, 0.164135174775]}, {"abc": [0.032925, 0.032925, 0.527607], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [11.043166117851003, 0.0, 2.6301857906610002]}, {"abc": [0.032925, 0.527607, 0.032925], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [11.260531367379002, 1.4292950909220001, 0.164135174775]}, {"abc": [0.780716, 0.28117, 0.28117], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [25.392968233752, -1.443348748266, 1.40166703391]}, {"abc": [0.28117, 0.28117, 0.780716], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [25.173465723168, 0.0, 3.8919652880679996]}, {"abc": [0.155899, 0.155899, 0.155899], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [8.817201101163, 0.0, 0.777175690577]}, {"abc": [0.28117, 0.780716, 0.28117], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [25.392968233752, 1.443348748266, 1.40166703391]}, {"abc": [0.027368, 0.533425, 0.533425], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [20.554491287946, 1.4621611172970002, 2.659189236275]}, {"abc": [0.533425, 0.533425, 0.027368], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [20.776854757974, 0.0, 0.13643284626399999]}, {"abc": [0.406118, 0.406118, 0.406118], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [22.968871364166002, 0.0, 2.0245481825139997]}, {"abc": [0.533425, 0.027368, 0.533425], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [20.554491287946, -1.4621611172970002, 2.659189236275]}, {"abc": [0.000849, 0.000849, 0.000849], "label": "Co", "properties": {"magmom": 2.69}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.04801700931300001, 0.0, 0.004232369427]}, {"abc": [0.65702, 0.65702, 0.65702], "label": "Co", "properties": {"magmom": 2.726}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [37.15917015174001, 0.0, 3.27532551346]}, {"abc": [0.250527, 0.250527, 0.250527], "label": "Co", "properties": {"magmom": 2.685}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [14.169089861199001, 0.0, 1.2489079098209999]}, {"abc": [0.906494, 0.906494, 0.906494], "label": "Co", "properties": {"magmom": 2.626}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [51.26870534767801, 0.0, 4.518984088762]}, {"abc": [0.812846, 0.812846, 0.812846], "label": "Co", "properties": {"magmom": 2.705}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [45.972242581902, 0.0, 4.052137290058]}, {"abc": [0.499843, 0.499843, 0.499843], "label": "Co", "properties": {"magmom": 2.7}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [28.269689029491005, 0.0, 2.491778835689]}, {"abc": [0.061624, 0.061624, 0.061624], "label": "Co", "properties": {"magmom": 2.709}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.485277010488, 0.0, 0.307203219752]}, {"abc": [0.750218, 0.750218, 0.750218], "label": "Co", "properties": {"magmom": 2.697}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [42.430182205866004, 0.0, 3.739929006814]}, {"abc": [0.472058, 0.955339, 0.472058], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [35.880030754953005, 1.3963539422010003, 2.3532671931339997]}, {"abc": [0.472058, 0.472058, 0.955339], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [35.667675150429005, 0.0, 4.762482421697]}, {"abc": [0.595134, 0.595134, 0.595134], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [33.659075171358005, 0.0, 2.966816191482]}, {"abc": [0.955339, 0.472058, 0.472058], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [35.880030754953005, -1.3963539422010003, 2.3532671931339997]}, {"abc": [0.623667, 0.083206, 0.083206], "label": "O", "properties": {"magmom": 0.101}, "species": [{"element": "O", "occu": 1.0}], "xyz": [14.974028989689, -1.5615653169809998, 0.414792144338]}, {"abc": [0.71757, 0.21425, 0.71757], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [31.021205125050002, -1.4542530457200002, 3.57717471111]}, {"abc": [0.71757, 0.71757, 0.21425], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [31.242365946330004, 0.0, 1.06806260275]}, {"abc": [0.965935, 0.965935, 0.965935], "label": "O", "properties": {"magmom": 0.038}, "species": [{"element": "O", "occu": 1.0}], "xyz": [54.630518128095005, 0.0, 4.815304785005]}, {"abc": [0.848598, 0.848598, 0.848598], "label": "O", "properties": {"magmom": 0.031}, "species": [{"element": "O", "occu": 1.0}], "xyz": [47.994273343926004, 0.0, 4.230365407553999]}, {"abc": [0.083206, 0.083206, 0.623667], "label": "O", "properties": {"magmom": 0.101}, "species": [{"element": "O", "occu": 1.0}], "xyz": [14.736548264445, 0.0, 3.1090567060409997]}, {"abc": [0.21425, 0.71757, 0.71757], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [31.021205125050002, 1.4542530457200002, 3.57717471111]}, {"abc": [0.083206, 0.623667, 0.083206], "label": "O", "properties": {"magmom": 0.101}, "species": [{"element": "O", "occu": 1.0}], "xyz": [14.974028989689, 1.5615653169809998, 0.414792144338]}, {"abc": [0.885035, 0.324372, 0.324372], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [28.997502198525005, -1.6199353798229998, 1.6170343177559998]}, {"abc": [0.986275, 0.429894, 0.986275], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [45.21029280196801, -1.6075633073009998, 4.916702186825]}, {"abc": [0.986275, 0.986275, 0.429894], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [45.45476883889201, 0.0, 2.143074466962]}, {"abc": [0.324372, 0.324372, 0.885035], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [28.751144633673004, 0.0, 4.412008334305]}, {"abc": [0.215246, 0.215246, 0.215246], "label": "O", "properties": {"magmom": 0.033}, "species": [{"element": "O", "occu": 1.0}], "xyz": [12.173697510702, 0.0, 1.073027785258]}, {"abc": [0.09709, 0.09709, 0.09709], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.4911324313300005, 0.0, 0.48400559206999993]}, {"abc": [0.429894, 0.986275, 0.986275], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [45.21029280196801, 1.6075633073009998, 4.916702186825]}, {"abc": [0.324372, 0.885035, 0.324372], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [28.997502198525005, 1.6199353798229998, 1.6170343177559998]}, {"abc": [0.134051, 0.57545, 0.57545], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [24.159732419697, 1.275343400079, 2.86868903035]}, {"abc": [0.239117, 0.673763, 0.239117], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [21.781545781191003, 1.2558318153659997, 1.192027656391]}, {"abc": [0.239117, 0.239117, 0.673763], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [21.590560590207, 0.0, 3.358791427849]}, {"abc": [0.343843, 0.343843, 0.343843], "label": "O", "properties": {"magmom": 0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [19.446775657491003, 0.0, 1.714099647689]}, {"abc": [0.465128, 0.465128, 0.465128], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [26.306308018536, 0.0, 2.318720290744]}, {"abc": [0.57545, 0.57545, 0.134051], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [24.353684905893004, 0.0, 0.668260723273]}, {"abc": [0.673763, 0.239117, 0.239117], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [21.781545781191003, -1.2558318153659997, 1.192027656391]}, {"abc": [0.57545, 0.134051, 0.57545], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [24.159732419697, -1.275343400079, 2.86868903035]}, {"abc": [0.372733, 0.83445, 0.83445], "label": "O", "properties": {"magmom": 0.102}, "species": [{"element": "O", "occu": 1.0}], "xyz": [38.422012329351006, 1.3340486241570002, 4.15983588735]}, {"abc": [0.83445, 0.83445, 0.372733], "label": "O", "properties": {"magmom": 0.102}, "species": [{"element": "O", "occu": 1.0}], "xyz": [38.624892626019005, 0.0, 1.8581198511589998]}, {"abc": [0.715896, 0.715896, 0.715896], "label": "O", "properties": {"magmom": 0.051}, "species": [{"element": "O", "occu": 1.0}], "xyz": [40.489028149752, 0.0, 3.5688296152079997]}, {"abc": [0.83445, 0.372733, 0.83445], "label": "O", "properties": {"magmom": 0.102}, "species": [{"element": "O", "occu": 1.0}], "xyz": [38.422012329351006, -1.3340486241570002, 4.15983588735]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al2CoO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 19.19913044\n_cell_length_b 19.19913044\n_cell_length_c 19.19913024\n_cell_angle_alpha 17.32776425\n_cell_angle_beta 17.32776425\n_cell_angle_gamma 17.32776286\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2CoO4\n_chemical_formula_sum 'Al16 Co8 O32'\n_cell_volume 547.81141452\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 Al Al0 1 0.68804000 0.68804000 0.68804000 1.0\n Al Al1 1 0.72197200 0.21710400 0.21710400 1.0\n Al Al2 1 0.21710400 0.21710400 0.72197200 1.0\n Al Al3 1 0.21710400 0.72197200 0.21710400 1.0\n Al Al4 1 0.46923800 0.96859900 0.96859900 1.0\n Al Al5 1 0.96859900 0.96859900 0.46923800 1.0\n Al Al6 1 0.09394300 0.09394300 0.09394300 1.0\n Al Al7 1 0.96859900 0.46923800 0.96859900 1.0\n Al Al8 1 0.21888900 0.71902300 0.71902300 1.0\n Al Al9 1 0.71902300 0.71902300 0.21888900 1.0\n Al Al10 1 0.84390300 0.84390300 0.84390300 1.0\n Al Al11 1 0.71902300 0.21888900 0.71902300 1.0\n Al Al12 1 0.97265900 0.46646600 0.46646600 1.0\n Al Al13 1 0.46646600 0.46646600 0.97265900 1.0\n Al Al14 1 0.59385400 0.59385400 0.59385400 1.0\n Al Al15 1 0.46646600 0.97265900 0.46646600 1.0\n Co Co16 1 0.99925500 0.99925500 0.99925500 1.0\n Co Co17 1 0.43702600 0.43702600 0.43702600 1.0\n Co Co18 1 0.34310500 0.34310500 0.34310500 1.0\n Co Co19 1 0.74996100 0.74996100 0.74996100 1.0\n Co Co20 1 0.18759900 0.18759900 0.18759900 1.0\n Co Co21 1 0.93837800 0.93837800 0.93837800 1.0\n Co Co22 1 0.50017400 0.50017400 0.50017400 1.0\n Co Co23 1 0.24972700 0.24972700 0.24972700 1.0\n O O24 1 0.53170700 0.03711200 0.53170700 1.0\n O O25 1 0.40140900 0.40140900 0.40140900 1.0\n O O26 1 0.53170700 0.53170700 0.03711200 1.0\n O O27 1 0.03711200 0.53170700 0.53170700 1.0\n O O28 1 0.26365800 0.81988400 0.26365800 1.0\n O O29 1 0.36486700 0.92554900 0.92554900 1.0\n O O30 1 0.03466100 0.03466100 0.03466100 1.0\n O O31 1 0.15255300 0.15255300 0.15255300 1.0\n O O32 1 0.92554900 0.92554900 0.36486700 1.0\n O O33 1 0.26365800 0.26365800 0.81988400 1.0\n O O34 1 0.81988400 0.26365800 0.26365800 1.0\n O O35 1 0.92554900 0.36486700 0.92554900 1.0\n O O36 1 0.01316900 0.57137300 0.01316900 1.0\n O O37 1 0.11638200 0.67438200 0.67438200 1.0\n O O38 1 0.67438200 0.67438200 0.11638200 1.0\n O O39 1 0.90303600 0.90303600 0.90303600 1.0\n O O40 1 0.01316900 0.01316900 0.57137300 1.0\n O O41 1 0.78482400 0.78482400 0.78482400 1.0\n O O42 1 0.57137300 0.01316900 0.01316900 1.0\n O O43 1 0.67438200 0.11638200 0.67438200 1.0\n O O44 1 0.76097800 0.32608900 0.76097800 1.0\n O O45 1 0.86597200 0.42461700 0.42461700 1.0\n O O46 1 0.65576100 0.65576100 0.65576100 1.0\n O O47 1 0.76097800 0.76097800 0.32608900 1.0\n O O48 1 0.42461700 0.42461700 0.86597200 1.0\n O O49 1 0.53493000 0.53493000 0.53493000 1.0\n O O50 1 0.32608900 0.76097800 0.76097800 1.0\n O O51 1 0.42461700 0.86597200 0.42461700 1.0\n O O52 1 0.62755400 0.16559600 0.16559600 1.0\n O O53 1 0.16559600 0.16559600 0.62755400 1.0\n O O54 1 0.28417500 0.28417500 0.28417500 1.0\n O O55 1 0.16559600 0.62755400 0.16559600 1.0\n", "composition": {"Al": 16.0, "Co": 8.0, "O": 32.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2CoO4", "identifiers": {"materials_project_id": "mp-530381"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.28963950810022, "energy_above_hull": 0.05140115821428459, "formation_energy_per_atom": -2.8336686496428576, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 21.9972586, "volume": 547.8114145227678}, "record_id": "mp-530381", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 19.199130444450965, "alpha": 17.32776425465622, "b": 19.199130444450965, "beta": 17.32776425465622, "c": 19.19913023989287, "gamma": 17.327762863891554, "matrix": [[18.98005, -2.892112, 0.0], [18.98005, 2.892112, 0.0], [18.53936, 0.0, 4.989863]], "pbc": [true, true, true], "volume": 547.8114145227678}, "properties": {}, "sites": [{"abc": [0.68804, 0.68804, 0.68804], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [38.873888458399996, 0.0, 3.43322533852]}, {"abc": [0.721972, 0.217104, 0.217104], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [21.848678647239996, -1.460134801216, 1.0833192167519998]}, {"abc": [0.217104, 0.217104, 0.721972], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [21.626188368319998, 0.0, 3.6025413698359996]}, {"abc": [0.217104, 0.721972, 0.217104], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [21.848678647239996, 1.460134801216, 1.0833192167519998]}, {"abc": [0.469238, 0.968599, 0.968599], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [45.24742370849, 1.4442079404319998, 4.833176311937]}, {"abc": [0.968599, 0.968599, 0.469238], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [45.46748710758, 0.0, 2.341433334394]}, {"abc": [0.093943, 0.093943, 0.093943], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [5.307728770779999, 0.0, 0.468762699809]}, {"abc": [0.968599, 0.469238, 0.968599], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [45.24742370849, -1.4442079404319998, 4.833176311937]}, {"abc": [0.218889, 0.719023, 0.719023], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [31.131842900879995, 1.446443543008, 3.5878262638489997]}, {"abc": [0.719023, 0.719023, 0.218889], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [31.352246953339996, 0.0, 1.092226122207]}, {"abc": [0.843903, 0.843903, 0.843903], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [47.68006379238, 0.0, 4.210960355288999]}, {"abc": [0.719023, 0.218889, 0.719023], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [31.131842900879995, -1.446443543008, 3.5878262638489997]}, {"abc": [0.972659, 0.466466, 0.466466], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [35.962645558009996, -1.4639668496160003, 2.327601434158]}, {"abc": [0.466466, 0.466466, 0.972659], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [35.739571364839996, 0.0, 4.853435155717]}, {"abc": [0.593854, 0.593854, 0.593854], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [33.552430318839995, 0.0, 2.9632501020019997]}, {"abc": [0.466466, 0.972659, 0.466466], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [35.962645558009996, 1.4639668496160003, 2.327601434158]}, {"abc": [0.999255, 0.999255, 0.999255], "label": "Co", "properties": {"magmom": 2.663}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [56.45736790229999, 0.0, 4.9861455520649995]}, {"abc": [0.437026, 0.437026, 0.437026], "label": "Co", "properties": {"magmom": 2.706}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [24.69173300596, 0.0, 2.180699867438]}, {"abc": [0.343105, 0.343105, 0.343105], "label": "Co", "properties": {"magmom": 1.147}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [19.3852472233, 0.0, 1.712046944615]}, {"abc": [0.749961, 0.749961, 0.749961], "label": "Co", "properties": {"magmom": 2.701}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [42.372391521059996, 0.0, 3.7422026453429997]}, {"abc": [0.187599, 0.187599, 0.187599], "label": "Co", "properties": {"magmom": 2.702}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [10.599242196539999, 0.0, 0.9360933089369999]}, {"abc": [0.938378, 0.938378, 0.938378], "label": "Co", "properties": {"magmom": 2.709}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [53.017850275879994, 0.0, 4.682377662214]}, {"abc": [0.500174, 0.500174, 0.500174], "label": "Co", "properties": {"magmom": 2.701}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [28.25956090604, 0.0, 2.4957997361619997]}, {"abc": [0.249727, 0.249727, 0.249727], "label": "Co", "properties": {"magmom": 2.697}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [14.109440647419998, 0.0, 1.246103517401]}, {"abc": [0.531707, 0.037112, 0.531707], "label": "O", "properties": {"magmom": -0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [20.653720548469998, -1.4304241346400002, 2.653145086141]}, {"abc": [0.401409, 0.401409, 0.401409], "label": "O", "properties": {"magmom": 0.033}, "species": [{"element": "O", "occu": 1.0}], "xyz": [22.679391739139998, 0.0, 2.002975916967]}, {"abc": [0.531707, 0.531707, 0.037112], "label": "O", "properties": {"magmom": -0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [20.87168361902, 0.0, 0.185183795656]}, {"abc": [0.037112, 0.531707, 0.531707], "label": "O", "properties": {"magmom": -0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [20.653720548469998, 1.4304241346400002, 2.653145086141]}, {"abc": [0.263658, 0.819884, 0.263658], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [25.453731915979994, 1.6086678893119997, 1.315617298854]}, {"abc": [0.364867, 0.925549, 0.925549], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [41.65124630944, 1.6215551403839998, 4.618362709786999]}, {"abc": [0.034661, 0.034661, 0.034661], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.9583277830599997, 0.0, 0.172953641443]}, {"abc": [0.152553, 0.152553, 0.152553], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.619162121379999, 0.0, 0.761218570239]}, {"abc": [0.925549, 0.925549, 0.364867], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [41.898333260019996, 0.0, 1.820636343221]}, {"abc": [0.263658, 0.263658, 0.819884], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [25.208608680039998, 0.0, 4.091108835891999]}, {"abc": [0.819884, 0.263658, 0.263658], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [25.453731915979994, -1.6086678893119997, 1.315617298854]}, {"abc": [0.925549, 0.364867, 0.925549], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [41.65124630944, -1.6215551403839998, 4.618362709786999]}, {"abc": [0.013169, 0.571373, 0.013169], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.33878121894, 1.614388486848, 0.065711505847]}, {"abc": [0.116382, 0.674382, 0.674382], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [27.51135093372, 1.613798496, 3.365073789666]}, {"abc": [0.674382, 0.674382, 0.116382], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [27.757255953719998, 0.0, 0.580730235666]}, {"abc": [0.903036, 0.903036, 0.903036], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [51.02104636055999, 0.0, 4.506025924067999]}, {"abc": [0.013169, 0.013169, 0.571373], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.092786298179998, 0.0, 2.851072991899]}, {"abc": [0.784824, 0.784824, 0.784824], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [44.342132195039994, 0.0, 3.9161642391119997]}, {"abc": [0.571373, 0.013169, 0.013169], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.33878121894, -1.614388486848, 0.065711505847]}, {"abc": [0.674382, 0.116382, 0.674382], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [27.51135093372, -1.613798496, 3.365073789666]}, {"abc": [0.760978, 0.326089, 0.760978], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [34.74063110743, -1.2577476955680003, 3.797175966014]}, {"abc": [0.865972, 0.424617, 0.424617], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [32.367571174569996, -1.2764480917599998, 2.118780657471]}, {"abc": [0.655761, 0.655761, 0.655761], "label": "O", "properties": {"magmom": 0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [37.05014238906, 0.0, 3.272157550743]}, {"abc": [0.760978, 0.760978, 0.326089], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [34.93228234084, 0.0, 1.627139435807]}, {"abc": [0.424617, 0.424617, 0.865972], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [32.17307043962, 0.0, 4.321081641836]}, {"abc": [0.53493, 0.53493, 0.53493], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [30.2232561378, 0.0, 2.66922741459]}, {"abc": [0.326089, 0.760978, 0.760978], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [34.74063110743, 1.2577476955680003, 3.797175966014]}, {"abc": [0.424617, 0.865972, 0.424617], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [32.367571174569996, 1.2764480917599998, 2.118780657471]}, {"abc": [0.627554, 0.165596, 0.165596], "label": "O", "properties": {"magmom": 0.015}, "species": [{"element": "O", "occu": 1.0}], "xyz": [18.124070516059998, -1.336034275296, 0.8263013533479999]}, {"abc": [0.165596, 0.165596, 0.627554], "label": "O", "properties": {"magmom": 0.015}, "species": [{"element": "O", "occu": 1.0}], "xyz": [17.920490245039996, 0.0, 3.1314084851019994]}, {"abc": [0.284175, 0.284175, 0.284175], "label": "O", "properties": {"magmom": 0.049}, "species": [{"element": "O", "occu": 1.0}], "xyz": [16.0557340455, 0.0, 1.4179943180249999]}, {"abc": [0.165596, 0.627554, 0.165596], "label": "O", "properties": {"magmom": 0.015}, "species": [{"element": "O", "occu": 1.0}], "xyz": [18.124070516059998, 1.336034275296, 0.8263013533479999]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al2CoO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.78186168\n_cell_length_b 5.78186168\n_cell_length_c 28.37466000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 119.99999630\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2CoO4\n_chemical_formula_sum 'Al24 Co12 O48'\n_cell_volume 821.47946061\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.00000000 0.00000000 0.95585500 1.0\n Al Al1 1 0.50349400 0.49650600 0.89584800 1.0\n Al Al2 1 0.99301100 0.49650600 0.89584800 1.0\n Al Al3 1 0.33333300 0.66666700 0.79084700 1.0\n Al Al4 1 0.50349400 0.00698900 0.89584800 1.0\n Al Al5 1 0.83508400 0.16491600 0.72911000 1.0\n Al Al6 1 0.32983300 0.16491600 0.72911000 1.0\n Al Al7 1 0.83508400 0.67016700 0.72911000 1.0\n Al Al8 1 0.16689200 0.83310800 0.56250300 1.0\n Al Al9 1 0.00000000 0.00000000 0.64542900 1.0\n Al Al10 1 0.66621500 0.83310800 0.56250300 1.0\n Al Al11 1 0.16689200 0.33378500 0.56250300 1.0\n Al Al12 1 0.50003600 0.49996400 0.39565900 1.0\n Al Al13 1 0.33333300 0.66666700 0.47906400 1.0\n Al Al14 1 0.99992800 0.49996400 0.39565900 1.0\n Al Al15 1 0.50003600 0.00007200 0.39565900 1.0\n Al Al16 1 0.83328600 0.16671400 0.22876400 1.0\n Al Al17 1 0.66666700 0.33333300 0.31221400 1.0\n Al Al18 1 0.33342800 0.16671400 0.22876400 1.0\n Al Al19 1 0.83328600 0.66657200 0.22876400 1.0\n Al Al20 1 0.16873000 0.83127000 0.06285400 1.0\n Al Al21 1 0.66254100 0.83127000 0.06285400 1.0\n Al Al22 1 0.00000000 0.00000000 0.14564900 1.0\n Al Al23 1 0.16873000 0.33745900 0.06285400 1.0\n Co Co24 1 0.66666700 0.33333300 0.00175000 1.0\n Co Co25 1 0.33333300 0.66666700 0.98066000 1.0\n Co Co26 1 0.00000000 0.00000000 0.83450000 1.0\n Co Co27 1 0.66666700 0.33333300 0.81291400 1.0\n Co Co28 1 0.66666700 0.33333300 0.49982300 1.0\n Co Co29 1 0.33333300 0.66666700 0.66679400 1.0\n Co Co30 1 0.66666700 0.33333300 0.62602200 1.0\n Co Co31 1 0.00000000 0.00000000 0.45839800 1.0\n Co Co32 1 0.00000000 0.00000000 0.33293100 1.0\n Co Co33 1 0.33333300 0.66666700 0.29141500 1.0\n Co Co34 1 0.66666700 0.33333300 0.12326400 1.0\n Co Co35 1 0.33333300 0.66666700 0.16724300 1.0\n O O36 1 0.17226800 0.34453600 0.93285500 1.0\n O O37 1 0.33333300 0.66666700 0.85681400 1.0\n O O38 1 0.65546400 0.82773200 0.93285500 1.0\n O O39 1 0.17226800 0.82773200 0.93285500 1.0\n O O40 1 0.81979800 0.18020200 0.85993600 1.0\n O O41 1 0.50091800 0.00183500 0.76615500 1.0\n O O42 1 0.66666700 0.33333300 0.69728200 1.0\n O O43 1 0.36040400 0.18020200 0.85993600 1.0\n O O44 1 0.66666700 0.33333300 0.93179300 1.0\n O O45 1 0.99816500 0.49908200 0.76615500 1.0\n O O46 1 0.50091800 0.49908200 0.76615500 1.0\n O O47 1 0.81979800 0.63959600 0.85993600 1.0\n O O48 1 0.85201400 0.70402800 0.60195000 1.0\n O O49 1 0.14638400 0.85361600 0.68927100 1.0\n O O50 1 0.00000000 0.00000000 0.52842400 1.0\n O O51 1 0.70723200 0.85361600 0.68927100 1.0\n O O52 1 0.00000000 0.00000000 0.76387200 1.0\n O O53 1 0.29597200 0.14798600 0.60195000 1.0\n O O54 1 0.85201400 0.14798600 0.60195000 1.0\n O O55 1 0.14638400 0.29276800 0.68927100 1.0\n O O56 1 0.48072000 0.51928000 0.52341200 1.0\n O O57 1 0.18596500 0.37193000 0.43518900 1.0\n O O58 1 0.03856000 0.51928000 0.52341200 1.0\n O O59 1 0.33333300 0.66666700 0.59712200 1.0\n O O60 1 0.33333300 0.66666700 0.36140400 1.0\n O O61 1 0.62807000 0.81403500 0.43518900 1.0\n O O62 1 0.48072000 0.96144000 0.52341200 1.0\n O O63 1 0.18596500 0.81403500 0.43518900 1.0\n O O64 1 0.81407300 0.18592700 0.35657200 1.0\n O O65 1 0.51943100 0.03886100 0.26823700 1.0\n O O66 1 0.66666700 0.33333300 0.43025400 1.0\n O O67 1 0.66666700 0.33333300 0.19396600 1.0\n O O68 1 0.37185300 0.18592700 0.35657200 1.0\n O O69 1 0.96113900 0.48056900 0.26823700 1.0\n O O70 1 0.81407300 0.62814700 0.35657200 1.0\n O O71 1 0.51943100 0.48056900 0.26823700 1.0\n O O72 1 0.85513700 0.71027400 0.10124300 1.0\n O O73 1 0.14710900 0.85289100 0.18993600 1.0\n O O74 1 0.00000000 0.00000000 0.26351600 1.0\n O O75 1 0.00000000 0.00000000 0.02092100 1.0\n O O76 1 0.70578200 0.85289100 0.18993600 1.0\n O O77 1 0.28972600 0.14486300 0.10124300 1.0\n O O78 1 0.14710900 0.29421800 0.18993600 1.0\n O O79 1 0.85513700 0.14486300 0.10124300 1.0\n O O80 1 0.48710200 0.51289800 0.02764400 1.0\n O O81 1 0.02579600 0.51289800 0.02764400 1.0\n O O82 1 0.33333300 0.66666700 0.09844500 1.0\n O O83 1 0.48710200 0.97420400 0.02764400 1.0\n", "composition": {"Al": 24.0, "Co": 12.0, "O": 48.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2CoO4", "identifiers": {"materials_project_id": "mp-532094"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.290880538212045, "energy_above_hull": 0.0, "formation_energy_per_atom": -2.885069807857142, "is_stable": true, "ordering": "FiM", "theoretical": true, "total_magnetization": 41.1373315, "volume": 821.4794606135702}, "record_id": "mp-532094", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.781861676820192, "alpha": 90.0, "b": 5.781861676820192, "beta": 90.0, "c": 28.37466, "gamma": 119.9999963019862, "matrix": [[2.890931, -5.007239, 0.0], [2.890931, 5.007239, 0.0], [0.0, 0.0, 28.37466]], "pbc": [true, true, true], "volume": 821.4794606135702}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.955855], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 27.1220606343]}, {"abc": [0.503494, 0.496506, 0.895848], "label": "Al", "properties": {"magmom": 0.009}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, -0.034990586132000345, 25.419382411679997]}, {"abc": [0.993011, 0.496506, 0.895848], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.306090870327, -2.4861191996950005, 25.419382411679997]}, {"abc": [0.333333, 0.666667, 0.790847], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 22.440014737019997]}, {"abc": [0.503494, 0.006989, 0.895848], "label": "Al", "properties": {"magmom": 0.008}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.475771129673, -2.486119199695, 25.419382411679997]}, {"abc": [0.835084, 0.164916, 0.72911], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, -3.3556913461520006, 20.6882483526]}, {"abc": [0.329833, 0.164916, 0.72911], "label": "Al", "properties": {"magmom": 0.005}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.430285221319, -0.8257788341629999, 20.6882483526]}, {"abc": [0.835084, 0.670167, 0.72911], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.351576778681, -0.825778834163001, 20.6882483526]}, {"abc": [0.166892, 0.833108, 0.562503], "label": "Al", "properties": {"magmom": 0.005}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, 3.335902737624, 15.960831373979998]}, {"abc": [0.0, 0.0, 0.645429], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 18.31382842914]}, {"abc": [0.666215, 0.833108, 0.562503], "label": "Al", "properties": {"magmom": 0.005}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.3344393397130005, 0.835673138427, 15.960831373979998]}, {"abc": [0.166892, 0.333785, 0.562503], "label": "Al", "properties": {"magmom": 0.005}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4474226602870002, 0.835673138427, 15.960831373979998]}, {"abc": [0.500036, 0.499964, 0.395659], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, -0.00036052120800000864, 11.226689600939999]}, {"abc": [0.333333, 0.666667, 0.479064], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 13.593278118239999]}, {"abc": [0.999928, 0.499964, 0.395659], "label": "Al", "properties": {"magmom": 0.005}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.336084279452001, -2.503439239396, 11.226689600939999]}, {"abc": [0.500036, 7.2e-05, 0.395659], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.445777720548, -2.503439239396, 11.226689600939999]}, {"abc": [0.833286, 0.166714, 0.228764], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, -3.3376853147080006, 6.4911007202399995]}, {"abc": [0.666667, 0.333333, 0.312214], "label": "Al", "properties": {"magmom": 0.008}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 8.85896609724]}, {"abc": [0.333428, 0.166714, 0.228764], "label": "Al", "properties": {"magmom": 0.009}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.445876012202, -0.834776842646, 6.4911007202399995]}, {"abc": [0.833286, 0.666572, 0.228764], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.335985987798001, -0.8347768426459998, 6.4911007202399995]}, {"abc": [0.16873, 0.83127, 0.062854], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.890931, 3.31749612706, 1.7834608796399998]}, {"abc": [0.662541, 0.83127, 0.062854], "label": "Al", "properties": {"magmom": 0.009}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.318504528041, 0.8448664292309997, 1.7834608796399998]}, {"abc": [0.0, 0.0, 0.145649], "label": "Al", "properties": {"magmom": 0.012}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 4.13274085434]}, {"abc": [0.16873, 0.337459, 0.062854], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4633574719590001, 0.8448664292310001, 1.7834608796399998]}, {"abc": [0.666667, 0.333333, 0.00175], "label": "Co", "properties": {"magmom": 2.733}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 0.049655655]}, {"abc": [0.333333, 0.666667, 0.98066], "label": "Co", "properties": {"magmom": 1.841}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 27.825894075599997]}, {"abc": [0.0, 0.0, 0.8345], "label": "Co", "properties": {"magmom": 2.716}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 23.67865377]}, {"abc": [0.666667, 0.333333, 0.812914], "label": "Co", "properties": {"magmom": 2.755}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 23.06615835924]}, {"abc": [0.666667, 0.333333, 0.499823], "label": "Co", "properties": {"magmom": 2.722}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 14.18230768518]}, {"abc": [0.333333, 0.666667, 0.666794], "label": "Co", "properties": {"magmom": 1.883}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 18.92005304004]}, {"abc": [0.666667, 0.333333, 0.626022], "label": "Co", "properties": {"magmom": 1.567}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 17.763161402519998]}, {"abc": [0.0, 0.0, 0.458398], "label": "Co", "properties": {"magmom": 0.431}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 13.00688739468]}, {"abc": [0.0, 0.0, 0.332931], "label": "Co", "properties": {"magmom": 2.861}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 9.44680392846]}, {"abc": [0.333333, 0.666667, 0.291415], "label": "Co", "properties": {"magmom": 2.523}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 8.268801543899999]}, {"abc": [0.666667, 0.333333, 0.123264], "label": "Co", "properties": {"magmom": 2.738}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 3.4975740902399997]}, {"abc": [0.333333, 0.666667, 0.167243], "label": "Co", "properties": {"magmom": 2.74}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 4.7454632623799995]}, {"abc": [0.172268, 0.344536, 0.932855], "label": "O", "properties": {"magmom": 0.007}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4940447045240002, 0.862587048052, 26.4694434543]}, {"abc": [0.333333, 0.666667, 0.856814], "label": "O", "properties": {"magmom": -0.023}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 24.31180593324]}, {"abc": [0.655464, 0.827732, 0.932855], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.2878172954760005, 0.8625870480519997, 26.4694434543]}, {"abc": [0.172268, 0.827732, 0.932855], "label": "O", "properties": {"magmom": 0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.8909310000000006, 3.282064903896, 26.4694434543]}, {"abc": [0.819798, 0.180202, 0.859936], "label": "O", "properties": {"magmom": 0.068}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -3.2026100354439997, 24.40039162176]}, {"abc": [0.500918, 0.001835, 0.766155], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4534242330429998, -2.499027861837, 21.7393876323]}, {"abc": [0.666667, 0.333333, 0.697282], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 19.785139674119996]}, {"abc": [0.360404, 0.180202, 0.859936], "label": "O", "properties": {"magmom": 0.056}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5628546441860003, -0.902314482278, 24.40039162176]}, {"abc": [0.666667, 0.333333, 0.931793], "label": "O", "properties": {"magmom": 0.016}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 26.439309565379997]}, {"abc": [0.998165, 0.499082, 0.766155], "label": "O", "properties": {"magmom": 0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.328437766957, -2.499027861837, 21.7393876323]}, {"abc": [0.500918, 0.499082, 0.766155], "label": "O", "properties": {"magmom": 0.006}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -0.009193290803999332, 21.7393876323]}, {"abc": [0.819798, 0.639596, 0.859936], "label": "O", "properties": {"magmom": 0.065}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.219007355814, -0.9023144822779994, 24.40039162176]}, {"abc": [0.852014, 0.704028, 0.60195], "label": "O", "properties": {"magmom": 0.014}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.498410055102, -0.7410012706540008, 17.080126587]}, {"abc": [0.146384, 0.853616, 0.689271], "label": "O", "properties": {"magmom": 0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 3.541279652448001, 19.55783027286]}, {"abc": [0.0, 0.0, 0.528424], "label": "O", "properties": {"magmom": -0.025}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 14.993851335839999]}, {"abc": [0.707232, 0.853616, 0.689271], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.512303869488001, 0.7329796737760006, 19.55783027286]}, {"abc": [0.0, 0.0, 0.763872], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 21.674608283519998]}, {"abc": [0.295972, 0.147986, 0.60195], "label": "O", "properties": {"magmom": -0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2834519448980002, -0.741001270654, 17.080126587]}, {"abc": [0.852014, 0.147986, 0.60195], "label": "O", "properties": {"magmom": 0.017}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -3.525236458692001, 17.080126587]}, {"abc": [0.146384, 0.292768, 0.689271], "label": "O", "properties": {"magmom": 0.006}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2695581305119998, 0.7329796737759999, 19.55783027286]}, {"abc": [0.48072, 0.51928, 0.523412], "label": "O", "properties": {"magmom": 0.026}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 0.19307913584000014, 14.851637539919999]}, {"abc": [0.185965, 0.37193, 0.435189], "label": "O", "properties": {"magmom": -0.204}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.612835950245, 0.931171200635, 12.34833991074]}, {"abc": [0.03856, 0.51928, 0.523412], "label": "O", "properties": {"magmom": 0.016}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.61267694904, 2.40707993208, 14.851637539919999]}, {"abc": [0.333333, 0.666667, 0.597122], "label": "O", "properties": {"magmom": -0.025}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 16.94313372852]}, {"abc": [0.333333, 0.666667, 0.361404], "label": "O", "properties": {"magmom": 0.08}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 10.25471562264]}, {"abc": [0.62807, 0.814035, 0.435189], "label": "O", "properties": {"magmom": -0.131}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.169026049755, 0.9311712006349997, 12.34833991074]}, {"abc": [0.48072, 0.96144, 0.523412], "label": "O", "properties": {"magmom": 0.023}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.1691850509599995, 2.40707993208, 14.851637539919999]}, {"abc": [0.185965, 0.814035, 0.435189], "label": "O", "properties": {"magmom": -0.229}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 3.14489659873, 12.34833991074]}, {"abc": [0.814073, 0.185927, 0.356572], "label": "O", "properties": {"magmom": 0.026}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -3.145277148894001, 10.117609265519999]}, {"abc": [0.519431, 0.038861, 0.268237], "label": "O", "properties": {"magmom": 0.039}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6139836498520002, -2.40632884623, 7.6111336744199996]}, {"abc": [0.666667, 0.333333, 0.430254], "label": "O", "properties": {"magmom": 0.028}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 12.20831096364]}, {"abc": [0.666667, 0.333333, 0.193966], "label": "O", "properties": {"magmom": 0.015}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -1.6690830048260004, 5.503719301559999]}, {"abc": [0.371853, 0.185927, 0.356572], "label": "O", "properties": {"magmom": 0.017}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.61250349318, -0.930975918314, 10.117609265519999]}, {"abc": [0.961139, 0.480569, 0.268237], "label": "O", "properties": {"magmom": 0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.167878350148, -2.4063288462299997, 7.6111336744199996]}, {"abc": [0.814073, 0.628147, 0.356572], "label": "O", "properties": {"magmom": 0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.16935850682, -0.9309759183140005, 10.117609265519999]}, {"abc": [0.519431, 0.480569, 0.268237], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -0.19459132201799978, 7.6111336744199996]}, {"abc": [0.855137, 0.710274, 0.101243], "label": "O", "properties": {"magmom": 0.013}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.525495187641001, -0.7253636632570002, 2.87273570238]}, {"abc": [0.147109, 0.852891, 0.189936], "label": "O", "properties": {"magmom": 0.01}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 3.5340191558979996, 5.38936942176]}, {"abc": [0.0, 0.0, 0.263516], "label": "O", "properties": {"magmom": 0.016}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 7.4771769045599985]}, {"abc": [0.0, 0.0, 0.020921], "label": "O", "properties": {"magmom": -0.022}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.5936262618599999]}, {"abc": [0.705782, 0.852891, 0.189936], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.506016094563, 0.7366099220509996, 5.38936942176]}, {"abc": [0.289726, 0.144863, 0.101243], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.256366812359, -0.725363663257, 2.87273570238]}, {"abc": [0.147109, 0.294218, 0.189936], "label": "O", "properties": {"magmom": 0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.275845905437, 0.736609922051, 5.38936942176]}, {"abc": [0.855137, 0.144863, 0.101243], "label": "O", "properties": {"magmom": 0.015}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, -3.556511673486, 2.87273570238]}, {"abc": [0.487102, 0.512898, 0.027644], "label": "O", "properties": {"magmom": 0.067}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 0.12916673724400018, 0.7843891010399999]}, {"abc": [0.025796, 0.512898, 0.027644], "label": "O", "properties": {"magmom": 0.056}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.557327184114, 2.439036131378, 0.7843891010399999]}, {"abc": [0.333333, 0.666667, 0.098445], "label": "O", "properties": {"magmom": 0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.890931, 1.6690830048260004, 2.7933434037]}, {"abc": [0.487102, 0.974204, 0.027644], "label": "O", "properties": {"magmom": 0.065}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.224534815886, 2.439036131378, 0.7843891010399999]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al2CoO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 23.89953425\n_cell_length_b 23.89953425\n_cell_length_c 23.89953377\n_cell_angle_alpha 13.89435276\n_cell_angle_beta 13.89435276\n_cell_angle_gamma 13.89435050\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2CoO4\n_chemical_formula_sum 'Al20 Co10 O40'\n_cell_volume 685.05156035\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.64901100 0.64901100 0.64901100 1.0\n Al Al1 1 0.12158600 0.63196800 0.12158600 1.0\n Al Al2 1 0.24969400 0.24969400 0.24969400 1.0\n Al Al3 1 0.63196800 0.12158600 0.12158600 1.0\n Al Al4 1 0.12158600 0.12158600 0.63196800 1.0\n Al Al5 1 0.72289900 0.22906200 0.72289900 1.0\n Al Al6 1 0.22906200 0.72289900 0.72289900 1.0\n Al Al7 1 0.32468700 0.82544400 0.32468700 1.0\n Al Al8 1 0.72289900 0.72289900 0.22906200 1.0\n Al Al9 1 0.52478700 0.52478700 0.52478700 1.0\n Al Al10 1 0.82544400 0.32468700 0.32468700 1.0\n Al Al11 1 0.32468700 0.32468700 0.82544400 1.0\n Al Al12 1 0.92486300 0.42466900 0.92486300 1.0\n Al Al13 1 0.42466900 0.92486300 0.92486300 1.0\n Al Al14 1 0.12486500 0.12486500 0.12486500 1.0\n Al Al15 1 0.52322600 0.02904200 0.52322600 1.0\n Al Al16 1 0.92486300 0.92486300 0.42466900 1.0\n Al Al17 1 0.72491300 0.72491300 0.72491300 1.0\n Al Al18 1 0.02904200 0.52322600 0.52322600 1.0\n Al Al19 1 0.52322600 0.52322600 0.02904200 1.0\n Co Co20 1 0.00076800 0.00076800 0.00076800 1.0\n Co Co21 1 0.32560100 0.32560100 0.32560100 1.0\n Co Co22 1 0.60053800 0.60053800 0.60053800 1.0\n Co Co23 1 0.92521600 0.92521600 0.92521600 1.0\n Co Co24 1 0.19998800 0.19998800 0.19998800 1.0\n Co Co25 1 0.85037100 0.85037100 0.85037100 1.0\n Co Co26 1 0.44994700 0.44994700 0.44994700 1.0\n Co Co27 1 0.79977700 0.79977700 0.79977700 1.0\n Co Co28 1 0.04920300 0.04920300 0.04920300 1.0\n Co Co29 1 0.40019300 0.40019300 0.40019300 1.0\n O O30 1 0.46771000 0.46771000 0.98363600 1.0\n O O31 1 0.27603600 0.27603600 0.27603600 1.0\n O O32 1 0.98363600 0.46771000 0.46771000 1.0\n O O33 1 0.46771000 0.98363600 0.46771000 1.0\n O O34 1 0.07199800 0.07199800 0.57547300 1.0\n O O35 1 0.79111800 0.24950000 0.79111800 1.0\n O O36 1 0.97269000 0.97269000 0.97269000 1.0\n O O37 1 0.24950000 0.79111800 0.79111800 1.0\n O O38 1 0.87893800 0.87893800 0.87893800 1.0\n O O39 1 0.57547300 0.07199800 0.07199800 1.0\n O O40 1 0.07199800 0.57547300 0.07199800 1.0\n O O41 1 0.79111800 0.79111800 0.24950000 1.0\n O O42 1 0.65540100 0.65540100 0.21155500 1.0\n O O43 1 0.39598500 0.83520000 0.39598500 1.0\n O O44 1 0.57223900 0.57223900 0.57223900 1.0\n O O45 1 0.21155500 0.65540100 0.65540100 1.0\n O O46 1 0.83520000 0.39598500 0.39598500 1.0\n O O47 1 0.47801800 0.47801800 0.47801800 1.0\n O O48 1 0.65540100 0.21155500 0.65540100 1.0\n O O49 1 0.39598500 0.39598500 0.83520000 1.0\n O O50 1 0.25459000 0.25459000 0.81280500 1.0\n O O51 1 0.99525200 0.43752100 0.99525200 1.0\n O O52 1 0.43752100 0.99525200 0.99525200 1.0\n O O53 1 0.17216000 0.17216000 0.17216000 1.0\n O O54 1 0.07759000 0.07759000 0.07759000 1.0\n O O55 1 0.81280500 0.25459000 0.25459000 1.0\n O O56 1 0.25459000 0.81280500 0.25459000 1.0\n O O57 1 0.99525200 0.99525200 0.43752100 1.0\n O O58 1 0.85192700 0.85192700 0.41775200 1.0\n O O59 1 0.59553800 0.03689200 0.59553800 1.0\n O O60 1 0.03689200 0.59553800 0.59553800 1.0\n O O61 1 0.77206300 0.77206300 0.77206300 1.0\n O O62 1 0.67499900 0.67499900 0.67499900 1.0\n O O63 1 0.41775200 0.85192700 0.85192700 1.0\n O O64 1 0.85192700 0.41775200 0.85192700 1.0\n O O65 1 0.59553800 0.59553800 0.03689200 1.0\n O O66 1 0.19079100 0.65196200 0.19079100 1.0\n O O67 1 0.37277200 0.37277200 0.37277200 1.0\n O O68 1 0.65196200 0.19079100 0.19079100 1.0\n O O69 1 0.19079100 0.19079100 0.65196200 1.0\n", "composition": {"Al": 20.0, "Co": 10.0, "O": 40.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2CoO4", "identifiers": {"materials_project_id": "mp-532212"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.287840548704112, "energy_above_hull": 0.08673370028571448, "formation_energy_per_atom": -2.7983361075714277, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 30.0014862, "volume": 685.0515603464229}, "record_id": "mp-532212", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 23.899534249716186, "alpha": 13.894352764740033, "b": 23.899534249716186, "beta": 13.894352764740033, "c": 23.899533767899346, "gamma": 13.894350497213132, "matrix": [[23.724066, -2.890749, 0.0], [23.724066, 2.890749, 0.0], [23.371831, 0.0, 4.99452]], "pbc": [true, true, true], "volume": 685.0515603464229}, "properties": {}, "sites": [{"abc": [0.649011, 0.649011, 0.649011], "label": "Al", "properties": {"magmom": 0.001}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [45.962935006593, 0.0, 3.2414984197199996]}, {"abc": [0.121586, 0.631968, 0.121586], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [20.71905227453, 1.475386256118, 0.6072637087199999]}, {"abc": [0.249694, 0.249694, 0.249694], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [17.683319841322003, 0.0, 1.2471016768799998]}, {"abc": [0.631968, 0.121586, 0.121586], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [20.71905227453, -1.475386256118, 0.6072637087199999]}, {"abc": [0.121586, 0.121586, 0.631968], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [20.53927787076, 0.0, 3.15637681536]}, {"abc": [0.722899, 0.229062, 0.722899], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [39.479858851494996, -1.427558813913, 3.6105335134799996]}, {"abc": [0.229062, 0.722899, 0.722899], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [39.479858851494996, 1.427558813913, 3.6105335134799996]}, {"abc": [0.324687, 0.825444, 0.324687], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [34.874313444543, 1.447562796993, 1.62165571524]}, {"abc": [0.722899, 0.722899, 0.229062], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [39.653805527189995, 0.0, 1.1440547402399999]}, {"abc": [0.524787, 0.524787, 0.524787], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [37.165395922881004, 0.0, 2.62105916724]}, {"abc": [0.825444, 0.324687, 0.324687], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [34.874313444543, -1.447562796993, 1.62165571524]}, {"abc": [0.324687, 0.324687, 0.825444], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [34.697929302648, 0.0, 4.122696566879999]}, {"abc": [0.924863, 0.424669, 0.924863], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [53.63212797126501, -1.445935305306, 4.6192467507599995]}, {"abc": [0.424669, 0.924863, 0.924863], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [53.63212797126501, 1.445935305306, 4.6192467507599995]}, {"abc": [0.124865, 0.124865, 0.124865], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [8.842934679995, 0.0, 0.6236407398]}, {"abc": [0.523226, 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"properties": {"magmom": 2.686}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.054389731584, 0.0, 0.0038357913599999997]}, {"abc": [0.325601, 0.325601, 0.325601], "label": "Co", "properties": {"magmom": 2.686}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [23.059050772762998, 0.0, 1.6262207065199998]}, {"abc": [0.600538, 0.600538, 0.600538], "label": "Co", "properties": {"magmom": 2.682}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [42.530078940094, 0.0, 2.9993990517599998]}, {"abc": [0.925216, 0.925216, 0.925216], "label": "Co", "properties": {"magmom": 2.659}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [65.523762887008, 0.0, 4.62100981632]}, {"abc": [0.199988, 0.199988, 0.199988], "label": "Co", "properties": {"magmom": 2.696}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [14.163142760444, 0.0, 0.99884406576]}, {"abc": [0.850371, 0.850371, 0.850371], "label": "Co", "properties": {"magmom": 2.7}, "species": [{"element": "Co", "occu": 1.0}], 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0.276036], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [19.548859306668, 0.0, 1.37866732272]}, {"abc": [0.983636, 0.46771, 0.46771], "label": "O", "properties": {"magmom": 0.039}, "species": [{"element": "O", "occu": 1.0}], "xyz": [45.363067369846, -1.4914125685739996, 2.3359869492]}, {"abc": [0.46771, 0.983636, 0.46771], "label": "O", "properties": {"magmom": 0.041}, "species": [{"element": "O", "occu": 1.0}], "xyz": [45.363067369846, 1.4914125685739996, 2.3359869492]}, {"abc": [0.071998, 0.071998, 0.575473], "label": "O", "properties": {"magmom": 0.036}, "species": [{"element": "O", "occu": 1.0}], "xyz": [16.866028308799002, 0.0, 2.87421140796]}, {"abc": [0.791118, 0.2495, 0.791118], "label": "O", "properties": {"magmom": 0.107}, "species": [{"element": "O", "occu": 1.0}], "xyz": [43.177566309846, -1.5656816918819998, 3.95125467336]}, {"abc": [0.97269, 0.97269, 0.97269], "label": "O", "properties": {"magmom": 0.039}, "species": 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1.24613274]}, {"abc": [0.655401, 0.655401, 0.211555], "label": "O", "properties": {"magmom": 0.046}, "species": [{"element": "O", "occu": 1.0}], "xyz": [36.041980868137, 0.0, 1.0566156785999998]}, {"abc": [0.395985, 0.8352, 0.395985], "label": "O", "properties": {"magmom": 0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [38.463608696745005, 1.2696603220350005, 1.9777550021999997]}, {"abc": [0.572239, 0.572239, 0.572239], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [40.525944807157, 0.0, 2.85805913028]}, {"abc": [0.211555, 0.655401, 0.655401], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [35.885642772327, 1.2830473806540001, 3.2734134025199997]}, {"abc": [0.8352, 0.395985, 0.395985], "label": "O", "properties": {"magmom": 0.041}, "species": [{"element": "O", "occu": 1.0}], "xyz": [38.463608696745005, -1.2696603220350005, 1.9777550021999997]}, {"abc": [0.478018, 0.478018, 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[57.44851514021501, 0.0, 2.18520738492]}, {"abc": [0.851927, 0.851927, 0.417752], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [50.185973894275996, 0.0, 2.08647071904]}, {"abc": [0.595538, 0.036892, 0.595538], "label": "O", "properties": {"magmom": 0.046}, "species": [{"element": "O", "occu": 1.0}], "xyz": [28.922624550458, -1.614905365854, 2.97442645176]}, {"abc": [0.036892, 0.595538, 0.595538], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [28.922624550458, 1.614905365854, 2.97442645176]}, {"abc": [0.772063, 0.772063, 0.772063], "label": "O", "properties": {"magmom": 0.045}, "species": [{"element": "O", "occu": 1.0}], "xyz": [54.67747309366901, 0.0, 3.85608409476]}, {"abc": [0.674999, 0.674999, 0.674999], "label": "O", "properties": {"magmom": 0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [47.803404205037005, 0.0, 3.3712960054799996]}, {"abc": [0.417752, 0.851927, 0.851927], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [50.033042263151, 1.2550909470749998, 4.25496644004]}, {"abc": [0.851927, 0.417752, 0.851927], "label": "O", "properties": {"magmom": 0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [50.033042263151, -1.2550909470749998, 4.25496644004]}, {"abc": [0.595538, 0.595538, 0.036892], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [29.119399224268, 0.0, 0.18425783184]}, {"abc": [0.190791, 0.651962, 0.190791], "label": "O", "properties": {"magmom": 0.107}, "species": [{"element": "O", "occu": 1.0}], "xyz": [24.452662802019, 1.333129607079, 0.9529094653199999]}, {"abc": [0.372772, 0.372772, 0.372772], "label": "O", "properties": {"magmom": 0.053}, "species": [{"element": "O", "occu": 1.0}], "xyz": [26.399699247436, 0.0, 1.8618172094399998]}, {"abc": [0.651962, 0.190791, 0.190791], "label": "O", "properties": {"magmom": 0.099}, "species": [{"element": "O", "occu": 1.0}], "xyz": [24.452662802019, -1.333129607079, 0.9529094653199999]}, {"abc": [0.190791, 0.190791, 0.651962], "label": "O", "properties": {"magmom": 0.103}, "species": [{"element": "O", "occu": 1.0}], "xyz": [24.290222234834, 0.0, 3.25623724824]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al2CoO4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.78364792\n_cell_length_b 5.78364792\n_cell_length_c 14.19663500\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 119.99999906\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2CoO4\n_chemical_formula_sum 'Al12 Co6 O24'\n_cell_volume 411.26310199\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 Al Al0 1 0.66666700 0.33333300 0.91412800 1.0\n Al Al1 1 0.16382200 0.32764300 0.79100600 1.0\n Al Al2 1 0.16382200 0.83617800 0.79100600 1.0\n Al Al3 1 0.67235700 0.83617800 0.79100600 1.0\n Al Al4 1 0.83253000 0.66506000 0.45766900 1.0\n Al Al5 1 0.00000000 0.00000000 0.62371400 1.0\n Al Al6 1 0.83253000 0.16747000 0.45766900 1.0\n Al Al7 1 0.33494000 0.16747000 0.45766900 1.0\n Al Al8 1 0.49776500 0.99553000 0.12623400 1.0\n Al Al9 1 0.66666700 0.33333300 0.29135100 1.0\n Al Al10 1 0.49776500 0.50223500 0.12623400 1.0\n Al Al11 1 0.00447000 0.50223500 0.12623400 1.0\n Co Co12 1 0.00000000 0.00000000 0.00288800 1.0\n Co Co13 1 0.66666700 0.33333300 0.66620500 1.0\n Co Co14 1 0.33333300 0.66666700 0.96052100 1.0\n Co Co15 1 0.33333300 0.66666700 0.58465700 1.0\n Co Co16 1 0.33333300 0.66666700 0.33441800 1.0\n Co Co17 1 0.00000000 0.00000000 0.24692800 1.0\n O O18 1 0.00573800 0.50286900 0.86586500 1.0\n O O19 1 0.33333300 0.66666700 0.72750900 1.0\n O O20 1 0.49713100 0.50286900 0.86586500 1.0\n O O21 1 0.49713100 0.99426200 0.86586500 1.0\n O O22 1 0.85262100 0.70524300 0.71170900 1.0\n O O23 1 0.70564300 0.85282100 0.53666000 1.0\n O O24 1 0.85262100 0.14737900 0.71170900 1.0\n O O25 1 0.00000000 0.00000000 0.38846200 1.0\n O O26 1 0.14717900 0.85282100 0.53666000 1.0\n O O27 1 0.00000000 0.00000000 0.86121800 1.0\n O O28 1 0.14717900 0.29435700 0.53666000 1.0\n O O29 1 0.29475700 0.14737900 0.71170900 1.0\n O O30 1 0.37749800 0.18874900 0.20275800 1.0\n O O31 1 0.51893000 0.03786000 0.37991800 1.0\n O O32 1 0.51893000 0.48107000 0.37991800 1.0\n O O33 1 0.66666700 0.33333300 0.04343000 1.0\n O O34 1 0.66666700 0.33333300 0.52724400 1.0\n O O35 1 0.81125100 0.18874900 0.20275800 1.0\n O O36 1 0.81125100 0.62250200 0.20275800 1.0\n O O37 1 0.96214000 0.48107000 0.37991800 1.0\n O O38 1 0.17941900 0.35883900 0.05533000 1.0\n O O39 1 0.17941900 0.82058100 0.05533000 1.0\n O O40 1 0.33333300 0.66666700 0.19674000 1.0\n O O41 1 0.64116100 0.82058100 0.05533000 1.0\n", "composition": {"Al": 12.0, "Co": 6.0, "O": 24.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al2CoO4", "identifiers": {"materials_project_id": "mp-674336"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9934000000000003, "density": 4.285419981751976, "energy_above_hull": 0.0366731447619042, "formation_energy_per_atom": -2.8483966630952384, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 17.999944, "volume": 411.26310199434073}, "record_id": "mp-674336", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.7836479181198435, "alpha": 90.0, "b": 5.7836479181198435, "beta": 90.0, "c": 14.196635, "gamma": 119.9999990633684, "matrix": [[2.891824, -5.008786, 0.0], [2.891824, 5.008786, 0.0], [0.0, 0.0, 14.196635]], "pbc": [true, true, true], "volume": 411.26310199434073}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.914128], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.891824, -1.669598672524, 12.97754155928]}, {"abc": [0.163822, 0.327643, 0.791006], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.42123028216, 0.820544331306, 11.22962346481]}, {"abc": [0.163822, 0.836178, 0.791006], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.891824, 3.367687319816, 11.22962346481]}, {"abc": [0.672357, 0.836178, 0.791006], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.36241771784, 0.8205443313060004, 11.22962346481]}, {"abc": [0.83253, 0.66506, 0.457669], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.33076670416, -0.8388213914200002, 6.497359743815]}, {"abc": [0.0, 0.0, 0.623714], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 8.854640002390001]}, {"abc": [0.83253, 0.16747, 0.457669], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.891824, -3.33114321716, 6.497359743815]}, {"abc": [0.33494, 0.16747, 0.457669], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4528812958400001, -0.83882139142, 6.497359743815]}, {"abc": [0.497765, 0.99553, 0.126234], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.31834632008, 2.49319836329, 1.7920980225900003]}, {"abc": [0.666667, 0.333333, 0.291351], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.891824, -1.669598672524, 4.136203803885]}, {"abc": [0.497765, 0.502235, 0.126234], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.891824, 0.022389273419999967, 1.7920980225900003]}, {"abc": [0.00447, 0.502235, 0.126234], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.46530167992, 2.49319836329, 1.7920980225900003]}, {"abc": [0.0, 0.0, 0.002888], "label": "Co", "properties": {"magmom": 2.69}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 0.04099988188]}, {"abc": [0.666667, 0.333333, 0.666205], "label": "Co", "properties": {"magmom": 2.7}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.891824, -1.669598672524, 9.457869220175]}, {"abc": [0.333333, 0.666667, 0.960521], "label": "Co", "properties": {"magmom": 2.698}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.891824, 1.669598672524, 13.636166046835]}, {"abc": [0.333333, 0.666667, 0.584657], "label": "Co", "properties": {"magmom": 2.706}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.891824, 1.669598672524, 8.300162029195]}, {"abc": [0.333333, 0.666667, 0.334418], "label": "Co", "properties": {"magmom": 2.697}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.891824, 1.669598672524, 4.74761028343]}, {"abc": [0.0, 0.0, 0.246928], "label": "Co", "properties": {"magmom": 2.71}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 3.5055466872800003]}, {"abc": [0.005738, 0.502869, 0.865865], "label": "O", "properties": {"magmom": 0.032}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4708019291680001, 2.490022792966, 12.292369364275]}, {"abc": [0.333333, 0.666667, 0.727509], "label": "O", "properties": {"magmom": 0.033}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, 1.669598672524, 10.328179732215]}, {"abc": [0.497131, 0.502869, 0.865865], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, 0.02874041406800032, 12.292369364275]}, {"abc": [0.497131, 0.994262, 0.865865], "label": "O", "properties": {"magmom": 0.034}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.312846070832, 2.4900227929659997, 12.292369364275]}, {"abc": [0.852621, 0.705243, 0.711709], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.505068503936, -0.7381848631080001, 10.103872899215]}, {"abc": [0.705643, 0.852821, 0.53666], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.506803598336001, 0.7371831059080001, 7.618766139100001]}, {"abc": [0.852621, 0.147379, 0.711709], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.8918239999999997, -3.532406256212, 10.103872899215]}, {"abc": [0.0, 0.0, 0.388462], "label": "O", "properties": {"magmom": 0.041}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 5.51485322537]}, {"abc": [0.147179, 0.852821, 0.53666], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, 3.534409770612, 7.618766139100001]}, {"abc": [0.0, 0.0, 0.861218], "label": "O", "properties": {"magmom": 0.031}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 12.226397601430001]}, {"abc": [0.147179, 0.294357, 0.53666], "label": "O", "properties": {"magmom": 0.044}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.276844401664, 0.7371831059079998, 7.618766139100001]}, {"abc": [0.294757, 0.147379, 0.711709], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.278579496064, -0.7381848631079998, 10.103872899215]}, {"abc": [0.377498, 0.188749, 0.202758], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6374866645280002, -0.945403348714, 2.87848131933]}, {"abc": [0.51893, 0.03786, 0.379918], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6101386849600001, -2.40957668102, 5.39355717593]}, {"abc": [0.51893, 0.48107, 0.379918], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, -0.18963263795999996, 5.39355717593]}, {"abc": [0.666667, 0.333333, 0.04343], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, -1.669598672524, 0.61655985805]}, {"abc": [0.666667, 0.333333, 0.527244], "label": "O", "properties": {"magmom": 0.043}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, -1.669598672524, 7.485090623940001]}, {"abc": [0.811251, 0.188749, 0.202758], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, -3.117979302572, 2.87848131933]}, {"abc": [0.811251, 0.622502, 0.202758], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.146161335472, -0.9454033487140001, 2.87848131933]}, {"abc": [0.96214, 0.48107, 0.379918], "label": "O", "properties": {"magmom": 0.042}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.1735093150400004, -2.40957668102, 5.39355717593]}, {"abc": [0.179419, 0.358839, 0.05533], "label": "O", "properties": {"magmom": 0.095}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5565474025920003, 0.8986763841200001, 0.78549981455]}, {"abc": [0.179419, 0.820581, 0.05533], "label": "O", "properties": {"magmom": 0.095}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, 3.2114432493320004, 0.78549981455]}, {"abc": [0.333333, 0.666667, 0.19674], "label": "O", "properties": {"magmom": 0.049}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.891824, 1.669598672524, 2.7930459699]}, {"abc": [0.641161, 0.820581, 0.05533], "label": "O", "properties": {"magmom": 0.091}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.2271005974080005, 0.8986763841200003, 0.78549981455]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al4(CoO4)3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.70941301\n_cell_length_b 5.70941301\n_cell_length_c 13.96686856\n_cell_angle_alpha 89.66873536\n_cell_angle_beta 89.66873536\n_cell_angle_gamma 60.41403551\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al4(CoO4)3\n_chemical_formula_sum 'Al8 Co6 O24'\n_cell_volume 395.91296253\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.50000000 0.50000000 0.50000000 1.0\n Al Al1 1 0.00000000 0.50000000 0.00000000 1.0\n Al Al2 1 0.32984700 0.83505400 0.32997600 1.0\n Al Al3 1 0.67015300 0.16494600 0.67002400 1.0\n Al Al4 1 0.00000000 0.00000000 0.00000000 1.0\n Al Al5 1 0.50000000 0.00000000 0.00000000 1.0\n Al Al6 1 0.83505400 0.32984700 0.32997600 1.0\n Al Al7 1 0.16494600 0.67015300 0.67002400 1.0\n Co Co8 1 0.16738500 0.16738500 0.78672000 1.0\n Co Co9 1 0.50021200 0.50021200 0.12312200 1.0\n Co Co10 1 0.83723800 0.83723800 0.45861400 1.0\n Co Co11 1 0.49978800 0.49978800 0.87687800 1.0\n Co Co12 1 0.83261500 0.83261500 0.21328000 1.0\n Co Co13 1 0.16276200 0.16276200 0.54138600 1.0\n O O14 1 0.83322800 0.83322800 0.07061300 1.0\n O O15 1 0.15417600 0.15417600 0.40798100 1.0\n O O16 1 0.48654600 0.48654600 0.74600100 1.0\n O O17 1 0.84022800 0.32821100 0.07341100 1.0\n O O18 1 0.19027400 0.67251800 0.41937900 1.0\n O O19 1 0.49356700 0.01935300 0.74564200 1.0\n O O20 1 0.67167400 0.67167400 0.92664600 1.0\n O O21 1 0.00498700 0.00498700 0.26060500 1.0\n O O22 1 0.35009700 0.35009700 0.58781700 1.0\n O O23 1 0.67178900 0.15977200 0.92658900 1.0\n O O24 1 0.98064700 0.50643300 0.25435800 1.0\n O O25 1 0.32748200 0.80972600 0.58062100 1.0\n O O26 1 0.32821100 0.84022800 0.07341100 1.0\n O O27 1 0.67251800 0.19027400 0.41937900 1.0\n O O28 1 0.01935300 0.49356700 0.74564200 1.0\n O O29 1 0.32832600 0.32832600 0.07335400 1.0\n O O30 1 0.64990300 0.64990300 0.41218300 1.0\n O O31 1 0.99501300 0.99501300 0.73939500 1.0\n O O32 1 0.15977200 0.67178900 0.92658900 1.0\n O O33 1 0.50643300 0.98064700 0.25435800 1.0\n O O34 1 0.80972600 0.32748200 0.58062100 1.0\n O O35 1 0.16677200 0.16677200 0.92938700 1.0\n O O36 1 0.51345400 0.51345400 0.25399900 1.0\n O O37 1 0.84582400 0.84582400 0.59201900 1.0\n", "composition": {"Al": 8.0, "Co": 6.0, "O": 24.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al4(CoO4)3", "identifiers": {"materials_project_id": "mp-1253319"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.998908015023743, "energy_above_hull": 0.18709871131579092, "formation_energy_per_atom": -2.124343605526316, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 28.1099662, "volume": 395.9129625278355}, "record_id": "mp-1253319", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.70941301363888, "alpha": 89.66873536412885, "b": 5.70941301363888, "beta": 89.66873536412885, "c": 13.966868559124375, "gamma": 60.414035507458266, "matrix": [[2.872553, 4.93415, 0.0], [-2.872553, 4.93415, 0.0], [0.0, 0.093439, 13.966556]], "pbc": [true, true, true], "volume": 395.9129625278355}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Al", "properties": {"magmom": 0.009}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 4.9808695, 6.983278]}, {"abc": [0.0, 0.5, 0.0], "label": "Al", "properties": {"magmom": 0.011}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4362765, 2.467075, 0.0]}, {"abc": [0.329847, 0.835054, 0.329976], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4512338834710001, 5.778628896614, 4.608628282656]}, {"abc": [0.670153, 0.164946, 0.670024], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4512338834709997, 4.183110103386, 9.357927717344]}, {"abc": [0.0, 0.0, 0.0], "label": "Al", "properties": {"magmom": 0.013}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.0, 0.0], "label": "Al", "properties": {"magmom": 0.011}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4362765, 2.467075, 0.0]}, {"abc": [0.835054, 0.329847, 0.329976], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4512338834710001, 5.778628896614, 4.608628282656]}, {"abc": [0.164946, 0.670153, 0.670024], "label": "Al", "properties": {"magmom": 0.01}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4512338834709997, 4.183110103386, 9.357927717344]}, {"abc": [0.167385, 0.167385, 0.78672], "label": "Co", "properties": {"magmom": 2.895}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 1.72531572558, 10.98776893632]}, {"abc": [0.500212, 0.500212, 0.123122], "label": "Co", "properties": {"magmom": 3.152}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 4.947746476158, 1.719590307832]}, {"abc": [0.837238, 0.837238, 0.458614], "label": "Co", "properties": {"magmom": 3.046}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 8.304968188946, 6.405258113384001]}, {"abc": [0.499788, 0.499788, 0.876878], "label": "Co", "properties": {"magmom": 3.152}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 5.013992523842, 12.246965692168]}, {"abc": [0.832615, 0.832615, 0.21328], "label": "Co", "properties": {"magmom": 2.895}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 8.23642327442, 2.97878706368]}, {"abc": [0.162762, 0.162762, 0.541386], "label": "Co", "properties": {"magmom": 3.046}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 1.6567708110539998, 7.561297886616001]}, {"abc": [0.833228, 0.833228, 0.070613], "label": "O", "properties": {"magmom": 0.129}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.229141880507, 0.9862204188279999]}, {"abc": [0.154176, 0.154176, 0.407981], "label": "O", "properties": {"magmom": 0.373}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.559576357459, 5.698089483436]}, {"abc": [0.486546, 0.486546, 0.746001], "label": "O", "properties": {"magmom": 0.351}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 4.871087479238999, 10.419064742556001]}, {"abc": [0.840228, 0.328211, 0.073411], "label": "O", "properties": {"magmom": 0.364}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4707959694010002, 5.772112742279, 1.0252988425160001]}, {"abc": [0.190274, 0.672518, 0.419379], "label": "O", "properties": {"magmom": 0.346}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.385271448932, 4.296331501180999, 5.8572802887240005]}, {"abc": [0.493567, 0.019353, 0.745642], "label": "O", "properties": {"magmom": 0.479}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.362204848342, 2.600496260838, 10.414050748952]}, {"abc": [0.671674, 0.671674, 0.926646], "label": "O", "properties": {"magmom": 0.348}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.714865409794, 12.942053251176]}, {"abc": [0.004987, 0.004987, 0.260605], "label": "O", "properties": {"magmom": 0.275}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.073563882695, 3.63975432638]}, {"abc": [0.350097, 0.350097, 0.587817], "label": "O", "properties": {"magmom": 0.131}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.509787257763, 8.209779048252]}, {"abc": [0.671789, 0.159772, 0.926589], "label": "O", "properties": {"magmom": 0.364}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.470795969401, 4.189626257721, 12.941257157484001]}, {"abc": [0.980647, 0.506433, 0.254358], "label": "O", "properties": {"magmom": 0.479}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.362204848342, 7.361242739162, 3.5525052510479997]}, {"abc": [0.327482, 0.809726, 0.580621], "label": "O", "properties": {"magmom": 0.346}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.385271448932, 5.6654074988189995, 8.109275711276002]}, {"abc": [0.328211, 0.840228, 0.073411], "label": "O", "properties": {"magmom": 0.364}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4707959694010002, 5.772112742279, 1.0252988425160001]}, {"abc": [0.672518, 0.190274, 0.419379], "label": "O", "properties": {"magmom": 0.346}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.385271448932, 4.296331501180999, 5.8572802887240005]}, {"abc": [0.019353, 0.493567, 0.745642], "label": "O", "properties": {"magmom": 0.479}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.362204848342, 2.600496260838, 10.414050748952]}, {"abc": [0.328326, 0.328326, 0.073354], "label": "O", "properties": {"magmom": 0.348}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.246873590206, 1.0245027488240002]}, {"abc": [0.649903, 0.649903, 0.412183], "label": "O", "properties": {"magmom": 0.131}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.451951742237, 5.756776951748001]}, {"abc": [0.995013, 0.995013, 0.739395], "label": "O", "properties": {"magmom": 0.275}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 9.888175117305, 10.32680167362]}, {"abc": [0.159772, 0.671789, 0.926589], "label": "O", "properties": {"magmom": 0.364}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.470795969401, 4.189626257721, 12.941257157484001]}, {"abc": [0.506433, 0.980647, 0.254358], "label": "O", "properties": {"magmom": 0.479}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.362204848342, 7.361242739162, 3.5525052510479997]}, {"abc": [0.809726, 0.327482, 0.580621], "label": "O", "properties": {"magmom": 0.346}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.385271448932, 5.6654074988189995, 8.109275711276002]}, {"abc": [0.166772, 0.166772, 0.929387], "label": "O", "properties": {"magmom": 0.129}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.7325971194929999, 12.980335581172]}, {"abc": [0.513454, 0.513454, 0.253999], "label": "O", "properties": {"magmom": 0.351}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 5.090651520760999, 3.547491257444]}, {"abc": [0.845824, 0.845824, 0.592019], "label": "O", "properties": {"magmom": 0.373}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.402162642541, 8.268466516564]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al4(CoO4)3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.75123722\n_cell_length_b 5.75123722\n_cell_length_c 13.90918689\n_cell_angle_alpha 89.70135018\n_cell_angle_beta 89.70135018\n_cell_angle_gamma 59.98089101\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al4(CoO4)3\n_chemical_formula_sum 'Al8 Co6 O24'\n_cell_volume 398.34870939\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.83289300 0.33575200 0.79139300 1.0\n Al Al1 1 0.83320300 0.83320300 0.79273200 1.0\n Al Al2 1 0.33575200 0.83289300 0.79139300 1.0\n Al Al3 1 0.16172600 0.66914100 0.46163400 1.0\n Al Al4 1 0.66914100 0.16172600 0.46163400 1.0\n Al Al5 1 0.50444700 0.00015100 0.12353700 1.0\n Al Al6 1 0.33416900 0.33416900 0.29157800 1.0\n Al Al7 1 0.00015100 0.50444700 0.12353700 1.0\n Co Co8 1 0.00889000 0.00889000 0.99973200 1.0\n Co Co9 1 0.33584300 0.33584300 0.67348000 1.0\n Co Co10 1 0.66468300 0.66468300 0.95343100 1.0\n Co Co11 1 0.66567300 0.66567300 0.57638500 1.0\n Co Co12 1 0.67120100 0.67120100 0.33234800 1.0\n Co Co13 1 0.99810000 0.99810000 0.25381400 1.0\n O O14 1 0.95139300 0.52430800 0.86846100 1.0\n O O15 1 0.66829800 0.66829800 0.71173900 1.0\n O O16 1 0.52256900 0.52256900 0.86785900 1.0\n O O17 1 0.52430800 0.95139300 0.86846100 1.0\n O O18 1 0.16258300 0.67383800 0.72159400 1.0\n O O19 1 0.34600700 0.80987900 0.53629700 1.0\n O O20 1 0.16539300 0.16539300 0.72042500 1.0\n O O21 1 0.99146500 0.99146500 0.38704700 1.0\n O O22 1 0.83947000 0.83947000 0.53234800 1.0\n O O23 1 0.00019700 0.00019700 0.86035500 1.0\n O O24 1 0.80987900 0.34600700 0.53629700 1.0\n O O25 1 0.67383800 0.16258300 0.72159400 1.0\n O O26 1 0.64528100 0.15718500 0.21145900 1.0\n O O27 1 0.51016700 0.02446900 0.37238900 1.0\n O O28 1 0.48293900 0.48293900 0.37871800 1.0\n O O29 1 0.32231000 0.32231000 0.05595700 1.0\n O O30 1 0.34907600 0.34907600 0.53986800 1.0\n O O31 1 0.18060300 0.18060300 0.20751000 1.0\n O O32 1 0.15718500 0.64528100 0.21145900 1.0\n O O33 1 0.02446900 0.51016700 0.37238900 1.0\n O O34 1 0.84953700 0.36118600 0.03722400 1.0\n O O35 1 0.82215000 0.82215000 0.04599000 1.0\n O O36 1 0.68070700 0.68070700 0.20113700 1.0\n O O37 1 0.36118600 0.84953700 0.03722400 1.0\n", "composition": {"Al": 8.0, "Co": 6.0, "O": 24.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al4(CoO4)3", "identifiers": {"materials_project_id": "mp-1358877"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.97445625345142, "energy_above_hull": 0.17366568500000135, "formation_energy_per_atom": -2.1377766318421045, "is_stable": false, "ordering": "FiM", "theoretical": true, "total_magnetization": 22.0830374, "volume": 398.3487093937661}, "record_id": "mp-1358877", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.751237223220148, "alpha": 89.70135017913243, "b": 5.751237223220148, "beta": 89.70135017913243, "c": 13.909186887215549, "gamma": 59.98089100669251, "matrix": [[2.874788, 4.981197, 0.0], [-2.874788, 4.981197, 0.0], [0.0, 0.083708, 13.908935]], "pbc": [true, true, true], "volume": 398.3487093937661}, "properties": {}, "sites": [{"abc": [0.832893, 0.335752, 0.791393], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4291749811080001, 5.887496893309, 11.007433796455]}, {"abc": [0.833203, 0.833203, 0.792732], "label": "Al", "properties": {"magmom": 0.011}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 8.367054578238, 11.02605786042]}, {"abc": [0.335752, 0.832893, 0.791393], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4291749811080001, 5.887496893309, 11.007433796455]}, {"abc": [0.161726, 0.669141, 0.461634], "label": "Al", "properties": {"magmom": 0.011}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.45871055302, 4.177354666671, 6.42083729979]}, {"abc": [0.669141, 0.161726, 0.461634], "label": "Al", "properties": {"magmom": 0.011}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.45871055302, 4.177354666671, 6.42083729979]}, {"abc": [0.504447, 0.000151, 0.123537], "label": "Al", "properties": {"magmom": 0.013}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.449744089248, 2.523843079002, 1.7182681030949998]}, {"abc": [0.334169, 0.334169, 0.291578], "label": "Al", "properties": {"magmom": 0.009}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 3.35353065181, 4.05553944943]}, {"abc": [0.000151, 0.504447, 0.123537], "label": "Al", "properties": {"magmom": 0.013}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.449744089248, 2.523843079002, 1.7182681030949998]}, {"abc": [0.00889, 0.00889, 0.999732], "label": "Co", "properties": {"magmom": 3.048}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.17225124891600002, 13.905207405419999]}, {"abc": [0.335843, 0.335843, 0.67348], "label": "Co", "properties": {"magmom": 3.178}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 3.402175951982, 9.3673895438]}, {"abc": [0.664683, 0.664683, 0.953431], "label": "Co", "properties": {"magmom": 1.148}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.70164373325, 13.261209805985]}, {"abc": [0.665673, 0.665673, 0.576385], "label": "Co", "properties": {"magmom": 2.676}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.679944736742, 8.016901499975]}, {"abc": [0.671201, 0.671201, 0.332348], "label": "Co", "properties": {"magmom": 3.054}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.714589001578, 4.622606729379999]}, {"abc": [0.9981, 0.9981, 0.253814], "label": "Co", "properties": {"magmom": 3.006}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 9.964711713712, 3.5302824280899996]}, {"abc": [0.951393, 0.524308, 0.868461], "label": "O", "properties": {"magmom": -0.01}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2277788329800003, 7.423454527485, 12.079367599035]}, {"abc": [0.668298, 0.668298, 0.711739], "label": "O", "properties": {"magmom": 0.165}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.717426233624, 9.899531487965]}, {"abc": [0.522569, 0.522569, 0.867859], "label": "O", "properties": {"magmom": -0.02}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 5.278685011357999, 12.070994420165]}, {"abc": [0.524308, 0.951393, 0.868461], "label": "O", "properties": {"magmom": -0.01}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.2277788329800003, 7.423454527485, 12.079367599035]}, {"abc": [0.162583, 0.673838, 0.721594], "label": "O", "properties": {"magmom": 0.359}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4697497389400003, 4.226780966489001, 10.03660404239]}, {"abc": [0.346007, 0.809879, 0.536297], "label": "O", "properties": {"magmom": 0.358}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.333533659136, 5.802588224818, 7.459320113695]}, {"abc": [0.165393, 0.165393, 0.720425], "label": "O", "properties": {"magmom": 0.342}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.7080155667420003, 10.020344497375]}, {"abc": [0.991465, 0.991465, 0.387047], "label": "O", "properties": {"magmom": 0.285}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 9.909763897486002, 5.383411564945]}, {"abc": [0.83947, 0.83947, 0.532348], "label": "O", "properties": {"magmom": 0.25}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.407692677564, 7.404393729380001]}, {"abc": [0.000197, 0.000197, 0.860355], "label": "O", "properties": {"magmom": 0.154}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.073981187958, 11.966621771924999]}, {"abc": [0.809879, 0.346007, 0.536297], "label": "O", "properties": {"magmom": 0.358}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.333533659136, 5.802588224818, 7.459320113695]}, {"abc": [0.673838, 0.162583, 0.721594], "label": "O", "properties": {"magmom": 0.359}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4697497389400003, 4.226780966489001, 10.03660404239]}, {"abc": [0.645281, 0.157185, 0.211459], "label": "O", "properties": {"magmom": 0.262}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4031725236480002, 4.014942041774, 2.941169486165]}, {"abc": [0.510167, 0.024469, 0.372389], "label": "O", "properties": {"magmom": 0.348}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3962787820240001, 2.6942991777040004, 5.179534395715001]}, {"abc": [0.482939, 0.482939, 0.378718], "label": "O", "properties": {"magmom": 0.135}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 4.84293032231, 5.2675640453299994]}, {"abc": [0.32231, 0.32231, 0.055957], "label": "O", "properties": {"magmom": -0.58}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.2156632586959994, 0.778302275795]}, {"abc": [0.349076, 0.349076, 0.539868], "label": "O", "properties": {"magmom": 0.328}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.522823918488, 7.50898892058]}, {"abc": [0.180603, 0.180603, 0.20751], "label": "O", "properties": {"magmom": 0.121}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.816608490662, 2.88624310185]}, {"abc": [0.157185, 0.645281, 0.211459], "label": "O", "properties": {"magmom": 0.262}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4031725236480002, 4.014942041774, 2.941169486165]}, {"abc": [0.024469, 0.510167, 0.372389], "label": "O", "properties": {"magmom": 0.348}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.3962787820240001, 2.6942991777040004, 5.179534395715001]}, {"abc": [0.849537, 0.361186, 0.037224], "label": "O", "properties": {"magmom": 0.186}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4039055945880001, 6.033965722023, 0.51774619644]}, {"abc": [0.82215, 0.82215, 0.04599], "label": "O", "properties": {"magmom": 0.113}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.194431958020001, 0.63967192065]}, {"abc": [0.680707, 0.680707, 0.201137], "label": "O", "properties": {"magmom": 0.403}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.798308108554, 2.797601459095]}, {"abc": [0.361186, 0.849537, 0.037224], "label": "O", "properties": {"magmom": 0.186}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4039055945880001, 6.033965722023, 0.51774619644]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al5(CoO4)3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.75412502\n_cell_length_b 5.75412502\n_cell_length_c 13.98996183\n_cell_angle_alpha 89.33604833\n_cell_angle_beta 89.33604833\n_cell_angle_gamma 59.87343841\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al5(CoO4)3\n_chemical_formula_sum 'Al10 Co6 O24'\n_cell_volume 400.60064040\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.33879500 0.33879500 0.16487600 1.0\n Al Al1 1 0.66120500 0.66120500 0.83512400 1.0\n Al Al2 1 0.16542100 0.67082500 0.33753000 1.0\n Al Al3 1 0.50000000 0.00000000 0.00000000 1.0\n Al Al4 1 0.83457900 0.32917500 0.66247000 1.0\n Al Al5 1 0.67082500 0.16542100 0.33753000 1.0\n Al Al6 1 0.00000000 0.50000000 0.00000000 1.0\n Al Al7 1 0.32917500 0.83457900 0.66247000 1.0\n Al Al8 1 0.16322400 0.16322400 0.33639200 1.0\n Al Al9 1 0.83677600 0.83677600 0.66360800 1.0\n Co Co10 1 0.33357800 0.33357800 0.54522200 1.0\n Co Co11 1 0.67154000 0.67154000 0.20734300 1.0\n Co Co12 1 0.00953300 0.00953300 0.88047200 1.0\n Co Co13 1 0.66642200 0.66642200 0.45477800 1.0\n Co Co14 1 0.99046700 0.99046700 0.11952800 1.0\n Co Co15 1 0.32846000 0.32846000 0.79265700 1.0\n O O16 1 0.99976400 0.99976400 0.26087700 1.0\n O O17 1 0.32266800 0.32266800 0.92252100 1.0\n O O18 1 0.66838700 0.66838700 0.59413600 1.0\n O O19 1 0.48281200 0.48281200 0.25212800 1.0\n O O20 1 0.81650500 0.81650500 0.92141500 1.0\n O O21 1 0.16225700 0.16225700 0.59700600 1.0\n O O22 1 0.32542400 0.83456500 0.40158300 1.0\n O O23 1 0.64010200 0.15975700 0.08551800 1.0\n O O24 1 0.96240500 0.51981400 0.74620500 1.0\n O O25 1 0.83456500 0.32542400 0.40158300 1.0\n O O26 1 0.15975700 0.64010200 0.08551800 1.0\n O O27 1 0.51981400 0.96240500 0.74620500 1.0\n O O28 1 0.48018600 0.03759500 0.25379500 1.0\n O O29 1 0.84024300 0.35989800 0.91448200 1.0\n O O30 1 0.16543500 0.67457600 0.59841700 1.0\n O O31 1 0.03759500 0.48018600 0.25379500 1.0\n O O32 1 0.35989800 0.84024300 0.91448200 1.0\n O O33 1 0.67457600 0.16543500 0.59841700 1.0\n O O34 1 0.83774300 0.83774300 0.40299400 1.0\n O O35 1 0.18349500 0.18349500 0.07858500 1.0\n O O36 1 0.51718800 0.51718800 0.74787200 1.0\n O O37 1 0.33161300 0.33161300 0.40586400 1.0\n O O38 1 0.67733200 0.67733200 0.07747900 1.0\n O O39 1 0.00023600 0.00023600 0.73912300 1.0\n", "composition": {"Al": 10.0, "Co": 6.0, "O": 24.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al5(CoO4)3", "identifiers": {"materials_project_id": "mp-1252778"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.3208000000000002, "density": 4.1757979104097185, "energy_above_hull": 0.08063941437500777, "formation_energy_per_atom": -2.5319573352499987, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 24.0000006, "volume": 400.6006403959258}, "record_id": "mp-1252778", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.754125020774053, "alpha": 89.33604833307035, "b": 5.754125020774053, "beta": 89.33604833307035, "c": 13.989961834222315, "gamma": 59.87343840672977, "matrix": [[2.871557, 4.986393, 0.0], [-2.871557, 4.986393, 0.0], [0.0, 0.187074, 13.988711]], "pbc": [true, true, true], "volume": 400.6006403959258}, "properties": {}, "sites": [{"abc": [0.338795, 0.338795, 0.164876], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 3.4095740456940002, 2.306402714836]}, {"abc": [0.661205, 0.661205, 0.835124], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 6.750285954306, 11.682308285164]}, {"abc": [0.165421, 0.670825, 0.33753], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4512963940280001, 4.232994287898, 4.72160962383]}, {"abc": [0.5, 0.0, 0.0], "label": "Al", "properties": {"magmom": 0.008}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4357785, 2.4931965, 0.0]}, {"abc": [0.834579, 0.329175, 0.66247], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4512963940280001, 5.926865712101999, 9.26710137617]}, {"abc": [0.670825, 0.165421, 0.33753], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4512963940280001, 4.232994287898, 4.72160962383]}, {"abc": [0.0, 0.5, 0.0], "label": "Al", "properties": {"magmom": 0.008}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4357785, 2.4931965, 0.0]}, {"abc": [0.329175, 0.834579, 0.66247], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4512963940280001, 5.926865712101999, 9.26710137617]}, {"abc": [0.163224, 0.163224, 0.336392], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 1.690728219072, 4.705690470712001]}, {"abc": [0.836776, 0.836776, 0.663608], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 8.469131780927999, 9.283020529288]}, {"abc": [0.333578, 0.333578, 0.545222], "label": "Co", "properties": {"magmom": 3.038}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 3.428698868736, 7.626952988842]}, {"abc": [0.67154, 0.67154, 0.207343], "label": "Co", "properties": {"magmom": 3.026}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.7359131948219995, 2.900461304873]}, {"abc": [0.009533, 0.009533, 0.880472], "label": "Co", "properties": {"magmom": 3.022}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.259783987866, 12.316668351592]}, {"abc": [0.666422, 0.666422, 0.454778], "label": "Co", "properties": {"magmom": 3.038}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.731161131263999, 6.361758011158001]}, {"abc": [0.990467, 0.990467, 0.119528], "label": "Co", "properties": {"magmom": 3.022}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 9.900076012133999, 1.672042648408]}, {"abc": [0.32846, 0.32846, 0.792657], "label": "Co", "properties": {"magmom": 3.026}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 3.4239468051779993, 11.088249695126999]}, {"abc": [0.999764, 0.999764, 0.260877], "label": "O", "properties": {"magmom": 0.125}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 10.019235726401998, 3.6493329595470003]}, {"abc": [0.322668, 0.322668, 0.922521], "label": "O", "properties": {"magmom": 0.34}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.3904786066019996, 12.904879660431002]}, {"abc": [0.668387, 0.668387, 0.594136], "label": "O", "properties": {"magmom": 0.098}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.776827914246, 8.311196798696]}, {"abc": [0.482812, 0.482812, 0.252128], "label": "O", "properties": {"magmom": 0.112}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 4.862147347704, 3.5269457270080005]}, {"abc": [0.816505, 0.816505, 0.921415], "label": "O", "properties": {"magmom": 0.101}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.315202422639999, 12.889408146065]}, {"abc": [0.162257, 0.162257, 0.597006], "label": "O", "properties": {"magmom": 0.222}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.729838638446, 8.351344399266]}, {"abc": [0.325424, 0.834565, 0.401583], "label": "O", "properties": {"magmom": 0.21}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4620274025370001, 5.8592867678189995, 5.617628529513]}, {"abc": [0.640102, 0.159757, 0.085518], "label": "O", "properties": {"magmom": 0.283}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.379338047165, 4.004409512919, 1.196286587298]}, {"abc": [0.962405, 0.519814, 0.746205], "label": "O", "properties": {"magmom": 0.136}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.270925284187, 7.530522000236998, 10.438446091755]}, {"abc": [0.834565, 0.325424, 0.401583], "label": "O", "properties": {"magmom": 0.21}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4620274025370001, 5.8592867678189995, 5.617628529513]}, {"abc": [0.159757, 0.640102, 0.085518], "label": "O", "properties": {"magmom": 0.283}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.379338047165, 4.004409512919, 1.196286587298]}, {"abc": [0.519814, 0.962405, 0.746205], "label": "O", "properties": {"magmom": 0.136}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.270925284187, 7.530522000236998, 10.438446091755]}, {"abc": [0.480186, 0.037595, 0.253795], "label": "O", "properties": {"magmom": 0.136}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.270925284187, 2.629337999763, 3.550264908245]}, {"abc": [0.840243, 0.359898, 0.914482], "label": "O", "properties": {"magmom": 0.283}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3793380471649999, 6.155450487081, 12.792424412702001]}, {"abc": [0.165435, 0.674576, 0.598417], "label": "O", "properties": {"magmom": 0.21}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4620274025369997, 4.300573232181, 8.371082470487]}, {"abc": [0.037595, 0.480186, 0.253795], "label": "O", "properties": {"magmom": 0.136}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.270925284187, 2.629337999763, 3.550264908245]}, {"abc": [0.359898, 0.840243, 0.914482], "label": "O", "properties": {"magmom": 0.283}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.3793380471649999, 6.155450487081, 12.792424412702001]}, {"abc": [0.674576, 0.165435, 0.598417], "label": "O", "properties": {"magmom": 0.21}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4620274025369997, 4.300573232181, 8.371082470487]}, {"abc": [0.837743, 0.837743, 0.402994], "label": "O", "properties": {"magmom": 0.222}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.430021361554, 5.637366600734]}, {"abc": [0.183495, 0.183495, 0.078585], "label": "O", "properties": {"magmom": 0.101}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.8446575773599998, 1.099302853935]}, {"abc": [0.517188, 0.517188, 0.747872], "label": "O", "properties": {"magmom": 0.112}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 5.297712652295999, 10.461765272992]}, {"abc": [0.331613, 0.331613, 0.405864], "label": "O", "properties": {"magmom": 0.098}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.383032085754, 5.6775142013040005]}, {"abc": [0.677332, 0.677332, 0.077479], "label": "O", "properties": {"magmom": 0.34}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.7693813933980005, 1.083831339569]}, {"abc": [0.000236, 0.000236, 0.739123], "label": "O", "properties": {"magmom": 0.125}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.14062427359799998, 10.339378040453]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_Al5(CoO4)3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.72949037\n_cell_length_b 5.72949037\n_cell_length_c 14.00632400\n_cell_angle_alpha 89.80522821\n_cell_angle_beta 89.80522821\n_cell_angle_gamma 60.08687267\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al5(CoO4)3\n_chemical_formula_sum 'Al10 Co6 O24'\n_cell_volume 398.53177091\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.82627300 0.34058900 0.79522500 1.0\n Al Al1 1 0.82887400 0.82887400 0.79451300 1.0\n Al Al2 1 0.34058900 0.82627300 0.79522500 1.0\n Al Al3 1 0.17001600 0.66332100 0.45949800 1.0\n Al Al4 1 0.00540000 0.00540000 0.62367800 1.0\n Al Al5 1 0.66332100 0.17001600 0.45949800 1.0\n Al Al6 1 0.49812200 0.00516000 0.11987300 1.0\n Al Al7 1 0.32794000 0.32794000 0.29350900 1.0\n Al Al8 1 0.49763300 0.49763300 0.12038800 1.0\n Al Al9 1 0.00516000 0.49812200 0.11987300 1.0\n Co Co10 1 0.00123800 0.00123800 0.99620700 1.0\n Co Co11 1 0.33693500 0.33693500 0.66566700 1.0\n Co Co12 1 0.66692100 0.66692100 0.95097900 1.0\n Co Co13 1 0.65862500 0.65862500 0.57739600 1.0\n Co Co14 1 0.67485300 0.67485300 0.33589000 1.0\n Co Co15 1 0.99526800 0.99526800 0.25652200 1.0\n O O16 1 0.95741400 0.51944200 0.86736500 1.0\n O O17 1 0.66592800 0.66592800 0.71421900 1.0\n O O18 1 0.51946100 0.51946100 0.86811100 1.0\n O O19 1 0.51944200 0.95741400 0.86736500 1.0\n O O20 1 0.14736200 0.69994800 0.71434200 1.0\n O O21 1 0.30705500 0.82391300 0.54501700 1.0\n O O22 1 0.14988300 0.14988300 0.71276100 1.0\n O O23 1 0.98942100 0.98942100 0.38435600 1.0\n O O24 1 0.84925200 0.84925200 0.53760600 1.0\n O O25 1 0.99918000 0.99918000 0.86302900 1.0\n O O26 1 0.82391300 0.30705500 0.54501700 1.0\n O O27 1 0.69994800 0.14736200 0.71434200 1.0\n O O28 1 0.63972300 0.18230200 0.20439800 1.0\n O O29 1 0.51049400 0.02268400 0.37121600 1.0\n O O30 1 0.48307000 0.48307000 0.37864300 1.0\n O O31 1 0.33326200 0.33326200 0.06082100 1.0\n O O32 1 0.34433900 0.34433900 0.53541800 1.0\n O O33 1 0.18025900 0.18025900 0.20650400 1.0\n O O34 1 0.18230200 0.63972300 0.20439800 1.0\n O O35 1 0.02268400 0.51049400 0.37121600 1.0\n O O36 1 0.82185900 0.35798400 0.04662600 1.0\n O O37 1 0.82115300 0.82115300 0.04640500 1.0\n O O38 1 0.66720100 0.66720100 0.19329600 1.0\n O O39 1 0.35798400 0.82185900 0.04662600 1.0\n", "composition": {"Al": 10.0, "Co": 6.0, "O": 24.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "Al5(CoO4)3", "identifiers": {"materials_project_id": "mp-1354911"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.019000000000000128, "density": 4.197475431563982, "energy_above_hull": 0.08205330337500705, "formation_energy_per_atom": -2.530543446249999, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 19.9994836, "volume": 398.5317709056383}, "record_id": "mp-1354911", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.729490367873656, "alpha": 89.80522820999262, "b": 5.729490367873656, "beta": 89.80522820999262, "c": 14.006323999132142, "gamma": 60.08687267443537, "matrix": [[2.868506, 4.959711, 0.0], [-2.868506, 4.959711, 0.0], [0.0, 0.055003, 14.006216]], "pbc": [true, true, true], "volume": 398.5317709056383}, "properties": {}, "sites": [{"abc": [0.826273, 0.340589, 0.795225], "label": "Al", "properties": {"magmom": 0.005}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.393187468104, 5.831038057557, 11.138093118599999]}, {"abc": [0.828874, 0.828874, 0.794513], "label": "Al", "properties": {"magmom": 0.006}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 8.265651589367002, 11.128120692808]}, {"abc": [0.340589, 0.826273, 0.795225], "label": "Al", "properties": {"magmom": 0.005}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.393187468104, 5.831038057557, 11.138093118599999]}, {"abc": [0.170016, 0.663321, 0.459498], "label": "Al", "properties": {"magmom": 0.009}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.4150483523300001, 4.158384454101001, 6.435828239568]}, {"abc": [0.0054, 0.0054, 0.623678], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.087869039834, 8.735368782447999]}, {"abc": [0.663321, 0.170016, 0.459498], "label": "Al", "properties": {"magmom": 0.009}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.4150483523300001, 4.158384454101001, 6.435828239568]}, {"abc": [0.498122, 0.00516, 0.119873], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.414064454772, 2.5027266461210003, 1.6789671305679998]}, {"abc": [0.32794, 0.32794, 0.293509], "label": "Al", "properties": {"magmom": 0.009}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 3.2691191262070003, 4.110950451944]}, {"abc": [0.497633, 0.497633, 0.120388], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 4.94285342929, 1.686180331808]}, {"abc": [0.00516, 0.498122, 0.119873], "label": "Al", "properties": {"magmom": 0.004}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-1.414064454772, 2.5027266461210003, 1.6789671305679998]}, {"abc": [0.001238, 0.001238, 0.996207], "label": "Co", "properties": {"magmom": 2.699}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.067074618057, 13.953090422712]}, {"abc": [0.336935, 0.336935, 0.665667], "label": "Co", "properties": {"magmom": 3.01}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 3.3788141335710002, 9.323475786072]}, {"abc": [0.666921, 0.666921, 0.950979], "label": "Co", "properties": {"magmom": 1.233}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.667777537599001, 13.319617285464]}, {"abc": [0.658625, 0.658625, 0.577396], "label": "Co", "properties": {"magmom": 3.025}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.564937826938001, 8.087133093536]}, {"abc": [0.674853, 0.674853, 0.33589], "label": "Co", "properties": {"magmom": 3.019}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 6.712626652636001, 4.704547892240001]}, {"abc": [0.995268, 0.995268, 0.256522], "label": "Co", "properties": {"magmom": 3.02}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 9.886592774662002, 3.5929025407519997]}, {"abc": [0.957414, 0.519442, 0.867365], "label": "O", "properties": {"magmom": -0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.256325309832, 7.372486625711, 12.148501540840002]}, {"abc": [0.665928, 0.665928, 0.714219], "label": "O", "properties": {"magmom": 0.132}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.644905041273, 10.003505585304001]}, {"abc": [0.519461, 0.519461, 0.868111], "label": "O", "properties": {"magmom": -0.039}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 5.200501580875, 12.158950177976]}, {"abc": [0.519442, 0.957414, 0.867365], "label": "O", "properties": {"magmom": -0.03}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.256325309832, 7.372486625711, 12.148501540840002]}, {"abc": [0.147362, 0.699948, 0.714342], "label": "O", "properties": {"magmom": 0.122}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.585096256516, 4.241703680436, 10.005228349872]}, {"abc": [0.307055, 0.823913, 0.545017], "label": "O", "properties": {"magmom": 0.268}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4826102741479998, 5.639252000299, 7.6336258256719995]}, {"abc": [0.149883, 0.149883, 0.712761], "label": "O", "properties": {"magmom": 0.101}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.525956720909, 9.983084522376]}, {"abc": [0.989421, 0.989421, 0.384356], "label": "O", "properties": {"magmom": 0.323}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 9.83562516773, 5.383373156896]}, {"abc": [0.849252, 0.849252, 0.537606], "label": "O", "properties": {"magmom": 0.107}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.453658915162, 7.529825758896001]}, {"abc": [0.99918, 0.99918, 0.863029], "label": "O", "properties": {"magmom": 0.073}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 9.958757258047, 12.087770588264]}, {"abc": [0.823913, 0.307055, 0.545017], "label": "O", "properties": {"magmom": 0.268}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4826102741479998, 5.639252000299, 7.6336258256719995]}, {"abc": [0.699948, 0.147362, 0.714342], "label": "O", "properties": {"magmom": 0.122}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.585096256516, 4.241703680436, 10.005228349872]}, {"abc": [0.639723, 0.182302, 0.204398], "label": "O", "properties": {"magmom": 0.133}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.312114883026, 4.088248937969001, 2.862842537968]}, {"abc": [0.510494, 0.022684, 0.371216], "label": "O", "properties": {"magmom": 0.277}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.39928591186, 2.6648267852060004, 5.199331478656]}, {"abc": [0.48307, 0.48307, 0.378643], "label": "O", "properties": {"magmom": 0.097}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 4.812601686469001, 5.303355644888001]}, {"abc": [0.333262, 0.333262, 0.060821], "label": "O", "properties": {"magmom": 0.047}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.3091117520270004, 0.851872063336]}, {"abc": [0.344339, 0.344339, 0.535418], "label": "O", "properties": {"magmom": 0.317}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.4450934483120004, 7.4991801582879996]}, {"abc": [0.180259, 0.180259, 0.206504], "label": "O", "properties": {"magmom": 0.106}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.7994234298100003, 2.8923396288639998]}, {"abc": [0.182302, 0.639723, 0.204398], "label": "O", "properties": {"magmom": 0.133}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.312114883026, 4.088248937969001, 2.862842537968]}, {"abc": [0.022684, 0.510494, 0.371216], "label": "O", "properties": {"magmom": 0.277}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.39928591186, 2.6648267852060004, 5.199331478656]}, {"abc": [0.821859, 0.357984, 0.046626], "label": "O", "properties": {"magmom": 0.032}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.33062822075, 5.854244875251001, 0.653053827216]}, {"abc": [0.821153, 0.821153, 0.046405], "label": "O", "properties": {"magmom": 0.024}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 8.147915547781, 0.64995845348]}, {"abc": [0.667201, 0.667201, 0.193296], "label": "O", "properties": {"magmom": 0.112}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.628880137710001, 2.707345527936]}, {"abc": [0.357984, 0.821859, 0.046626], "label": "O", "properties": {"magmom": 0.032}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.33062822075, 5.854244875251001, 0.653053827216]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.84680802\n_cell_length_b 5.36614867\n_cell_length_c 4.93690682\n_cell_angle_alpha 87.08454333\n_cell_angle_beta 59.72039375\n_cell_angle_gamma 115.95645443\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlCoO3\n_chemical_formula_sum 'Al2 Co2 O6'\n_cell_volume 93.40382959\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.30825700 0.45931600 0.84821300 1.0\n Al Al1 1 0.69543900 0.54739100 0.15057000 1.0\n Co Co2 1 0.31170600 0.94831300 0.33685000 1.0\n Co Co3 1 0.68700000 0.06538100 0.66180300 1.0\n O O4 1 0.81142700 0.74139800 0.74970100 1.0\n O O5 1 0.81335800 0.25408800 0.95948700 1.0\n O O6 1 0.48809000 0.73101300 0.43415800 1.0\n O O7 1 0.50092300 0.27537700 0.56699000 1.0\n O O8 1 0.17917000 0.72758800 0.05082500 1.0\n O O9 1 0.20462900 0.25013600 0.24140100 1.0\n", "composition": {"Al": 2.0, "Co": 2.0, "O": 6.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-754022"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.2610000000000001, "density": 4.761424859004639, "energy_above_hull": 0.11607658149999978, "formation_energy_per_atom": -2.225202081999999, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 3.9998018, "volume": 93.40382959355364}, "record_id": "mp-754022", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.846808021306187, "alpha": 87.08454333075647, "b": 5.3661486677417916, "beta": 59.720393746084426, "c": 4.936906816476892, "gamma": 115.95645442578115, "matrix": [[-2.253665, 4.290898, 0.027137], [-3.177687, -4.322673, 0.111153], [-2.375476, 1.53856, 4.04512]], "pbc": [true, true, true], "volume": 93.40382959355364}, "properties": {}, "sites": [{"abc": [0.308257, 0.459316, 0.848213], "label": "Al", "properties": {"magmom": 0.008}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-4.169180118385, 0.6422530663980002, 3.490542892117]}, {"abc": [0.695439, 0.547391, 0.15057], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-3.664399219872, 0.8495264972790006, 0.688789998366]}, {"abc": [0.311706, 0.948313, 0.33685], "label": "Co", "properties": {"magmom": 1.956}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-4.5161018851209995, -2.243484412661, 1.476465272611]}, {"abc": [0.687, 0.065381, 0.661803], "label": "Co", "properties": {"magmom": 2.107}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-3.3281253519750003, 3.6834498662670003, 2.702982964653]}, {"abc": [0.811427, 0.741398, 0.749701], "label": "O", "properties": {"magmom": -0.063}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-5.965512149057, 1.430389345152, 3.1370588155129995]}, {"abc": [0.813358, 0.254088, 0.959487], "label": "O", "properties": {"magmom": 0.016}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.919686932337999, 3.86792519698, 3.9315547929499997]}, {"abc": [0.48809, 0.731013, 0.434158], "label": "O", "properties": {"magmom": 0.005}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.454253765989001, -0.3976076204490001, 1.8507207952789997]}, {"abc": [0.500923, 0.275377, 0.56699], "label": "O", "properties": {"magmom": -0.01}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.3508456830339997, 1.8313929105330002, 2.337745115932]}, {"abc": [0.17917, 0.727588, 0.050825], "label": "O", "properties": {"magmom": -0.006}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.836569654706, -2.298127496064, 0.291328949254]}, {"abc": [0.204629, 0.250136, 0.241401], "label": "O", "properties": {"magmom": -0.055}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.829461412593, 0.16819595587399988, 1.009852397101]}], "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_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.36788968\n_cell_length_b 6.36788968\n_cell_length_c 5.03023360\n_cell_angle_alpha 82.35712921\n_cell_angle_beta 82.35712921\n_cell_angle_gamma 84.50423859\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlCoO3\n_chemical_formula_sum 'Al4 Co4 O12'\n_cell_volume 199.73401558\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.78633500 0.60054700 0.19673400 1.0\n Al Al1 1 0.60054700 0.78633500 0.69673400 1.0\n Al Al2 1 0.39945300 0.21366500 0.30326600 1.0\n Al Al3 1 0.21366500 0.39945300 0.80326600 1.0\n Co Co4 1 0.91341100 0.08658900 0.25000000 1.0\n Co Co5 1 0.73096900 0.26903100 0.75000000 1.0\n Co Co6 1 0.26903100 0.73096900 0.25000000 1.0\n Co Co7 1 0.08658900 0.91341100 0.75000000 1.0\n O O8 1 0.97217700 0.80717600 0.11620600 1.0\n O O9 1 0.86174800 0.35647800 0.39039400 1.0\n O O10 1 0.80717600 0.97217700 0.61620600 1.0\n O O11 1 0.71836400 0.56008900 0.88049800 1.0\n O O12 1 0.56008900 0.71836400 0.38049800 1.0\n O O13 1 0.64352200 0.13825200 0.10960600 1.0\n O O14 1 0.35647800 0.86174800 0.89039400 1.0\n O O15 1 0.43991100 0.28163600 0.61950200 1.0\n O O16 1 0.28163600 0.43991100 0.11950200 1.0\n O O17 1 0.19282400 0.02782300 0.38379400 1.0\n O O18 1 0.13825200 0.64352200 0.60960600 1.0\n O O19 1 0.02782300 0.19282400 0.88379400 1.0\n", "composition": {"Al": 4.0, "Co": 4.0, "O": 12.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-756947"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.8609, "density": 4.453275671187363, "energy_above_hull": 0.10164703299999989, "formation_energy_per_atom": -2.239631630499999, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 1.29e-05, "volume": 199.73401558336542}, "record_id": "mp-756947", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.367889676634245, "alpha": 82.35712921433348, "b": 6.367889676634245, "beta": 82.35712921433348, "c": 5.0302335988081115, "gamma": 84.50423859293147, "matrix": [[4.281732, 4.713469, 0.0], [-4.281732, 4.713469, 0.0], [0.0, 0.903833, 4.948367]], "pbc": [true, true, true], "volume": 199.73401558336542}, "properties": {}, "sites": [{"abc": [0.786335, 0.600547, 0.196734], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.7954944248159999, 6.714839995080001, 0.973512033378]}, {"abc": [0.600547, 0.786335, 0.696734], "label": "Al", "properties": {"magmom": -0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-0.7954944248159999, 7.1667564950800005, 3.447695533378]}, {"abc": [0.399453, 0.213665, 0.303266], "label": "Al", "properties": {"magmom": -0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.795494424816, 3.16401450492, 1.500671466622]}, {"abc": [0.213665, 0.399453, 0.803266], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-0.795494424816, 3.61593100492, 3.9748549666220003]}, {"abc": [0.913411, 0.086589, 0.25], "label": "Co", "properties": {"magmom": -0.0}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.5402302157039998, 4.93942725, 1.23709175]}, {"abc": [0.730969, 0.269031, 0.75], "label": "Co", "properties": {"magmom": 0.0}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.9778947166159997, 5.39134375, 3.71127525]}, {"abc": [0.269031, 0.730969, 0.25], "label": "Co", "properties": {"magmom": 0.0}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-1.9778947166159997, 4.93942725, 1.23709175]}, {"abc": [0.086589, 0.913411, 0.75], "label": "Co", "properties": {"magmom": -0.0}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-3.5402302157039998, 5.39134375, 3.71127525]}, {"abc": [0.972177, 0.807176, 0.116206], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.7064900617319996, 8.491956023154998, 0.575029935602]}, {"abc": [0.861748, 0.356478, 0.390394], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.1634307276399998, 6.094921466195999, 1.9318127865980002]}, {"abc": [0.807176, 0.972177, 0.616206], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.7064900617319996, 8.943872523155, 3.049213435602]}, {"abc": [0.718364, 0.560089, 0.880498], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.6776911323000001, 6.821771732290999, 4.357027246766]}, {"abc": [0.560089, 0.718364, 0.380498], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.6776911323000001, 6.369855232291, 1.8828437467660002]}, {"abc": [0.643522, 0.138252, 0.109606], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.16343072764, 3.7839330338040003, 0.542370713402]}, {"abc": [0.356478, 0.861748, 0.890394], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.1634307276399998, 6.546837966196, 4.4059962865980005]}, {"abc": [0.439911, 0.281636, 0.619502], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.6776911322999999, 3.9609157677089994, 3.065523253234]}, {"abc": [0.281636, 0.439911, 0.119502], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.6776911322999999, 3.5089992677089996, 0.591339753234]}, {"abc": [0.192824, 0.027823, 0.383794], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.706490061732, 1.386898476845, 1.8991535643980002]}, {"abc": [0.138252, 0.643522, 0.609606], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.16343072764, 4.235849533804, 3.016554213402]}, {"abc": [0.027823, 0.192824, 0.883794], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.706490061732, 1.838814976845, 4.373337064398]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2yc", "number": 15, "point_group": "2/m", "symbol": "C2/c", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.85975372\n_cell_length_b 5.32559542\n_cell_length_c 4.96477640\n_cell_angle_alpha 87.24563963\n_cell_angle_beta 59.51777561\n_cell_angle_gamma 116.01965390\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlCoO3\n_chemical_formula_sum 'Al2 Co2 O6'\n_cell_volume 93.23907440\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.30894000 0.45589800 0.84486700 1.0\n Al Al1 1 0.69975800 0.54902300 0.15070100 1.0\n Co Co2 1 0.30422900 0.94769200 0.34465100 1.0\n Co Co3 1 0.69804800 0.06487400 0.66227000 1.0\n O O4 1 0.79953300 0.73702000 0.75767700 1.0\n O O5 1 0.81161400 0.25634500 0.95623600 1.0\n O O6 1 0.49037700 0.73301900 0.43474600 1.0\n O O7 1 0.50126900 0.27306400 0.56279900 1.0\n O O8 1 0.18862400 0.73552200 0.04001900 1.0\n O O9 1 0.19760900 0.24754200 0.24603300 1.0\n", "composition": {"Al": 2.0, "Co": 2.0, "O": 6.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-776216"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.3481000000000005, "density": 4.769838385839886, "energy_above_hull": 0.10484106749999977, "formation_energy_per_atom": -2.2364375959999996, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 4.0000588, "volume": 93.23907440412559}, "record_id": "mp-776216", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.859753715111704, "alpha": 87.2456396287154, "b": 5.325595421680002, "beta": 59.517775612876214, "c": 4.964776402484406, "gamma": 116.01965389664478, "matrix": [[-2.267721, 4.29805, 0.037601], [-3.140513, -4.299535, 0.114645], [-2.383909, 1.554244, 4.068207]], "pbc": [true, true, true], "volume": 93.23907440412559}, "properties": {}, "sites": [{"abc": [0.30894, 0.455898, 0.844867], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-4.146429366517, 0.6808196251180001, 3.5009767226190003]}, {"abc": [0.699758, 0.549023, 0.150701], "label": "Al", "properties": {"magmom": 0.007}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-3.6703272505260003, 0.8812773926389997, 0.7023372055]}, {"abc": [0.304229, 0.947692, 0.344651], "label": "Co", "properties": {"magmom": 1.983}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-4.487762158864, -2.2313717209259996, 1.522199074726]}, {"abc": [0.698048, 0.064874, 0.66227], "label": "Co", "properties": {"magmom": 2.055}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-3.3655071624, 3.75064634669, 2.727936232468]}, {"abc": [0.799533, 0.73702, 0.757677], "label": "O", "properties": {"magmom": -0.058}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-5.933971684946, 1.445204456138, 3.1969457733720006]}, {"abc": [0.811614, 0.256345, 0.956236], "label": "O", "properties": {"magmom": 0.014}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.925148523202999, 3.8724173187089996, 3.950072159391]}, {"abc": [0.490377, 0.733019, 0.434746], "label": "O", "properties": {"magmom": 0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.450488821678, -0.368274619291, 1.871112349254]}, {"abc": [0.501269, 0.273064, 0.562799], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.335960881072, 1.855157969166, 2.3397364693420006]}, {"abc": [0.188624, 0.735522, 0.040019], "label": "O", "properties": {"magmom": -0.002}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.8330646629609997, -2.289487908434, 0.254221946647]}, {"abc": [0.197609, 0.247542, 0.246033], "label": "O", "properties": {"magmom": -0.05}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.812051231132, 0.16741318353199997, 1.0367229214300002]}], "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_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.17564903\n_cell_length_b 5.17564903\n_cell_length_c 5.17564898\n_cell_angle_alpha 55.59903088\n_cell_angle_beta 55.59903088\n_cell_angle_gamma 55.59903478\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlCoO3\n_chemical_formula_sum 'Al2 Co2 O6'\n_cell_volume 88.02147690\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.85258500 0.85258500 0.85258500 1.0\n Al Al1 1 0.14741500 0.14741500 0.14741500 1.0\n Co Co2 1 0.34483700 0.34483700 0.34483700 1.0\n Co Co3 1 0.65516300 0.65516300 0.65516300 1.0\n O O4 1 0.44616200 0.75206100 0.05499400 1.0\n O O5 1 0.24793900 0.94500600 0.55383800 1.0\n O O6 1 0.05499400 0.44616200 0.75206100 1.0\n O O7 1 0.94500600 0.55383800 0.24793900 1.0\n O O8 1 0.75206100 0.05499400 0.44616200 1.0\n O O9 1 0.55383800 0.24793900 0.94500600 1.0\n", "composition": {"Al": 2.0, "Co": 2.0, "O": 6.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-1178576"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.5824999999999996, "density": 5.052577300495447, "energy_above_hull": 0.031363284499999367, "formation_energy_per_atom": -2.3099153789999995, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 1.54e-05, "volume": 88.02147690236615}, "record_id": "mp-1178576", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.175649031843832, "alpha": 55.59903088102598, "b": 5.175649031843832, "beta": 55.59903088102598, "c": 5.175648975480176, "gamma": 55.59903478037184, "matrix": [[4.578301, -2.413815, 0.0], [4.578301, 2.413815, 0.0], [3.305667, 0.0, 3.98245]], "pbc": [true, true, true], "volume": 88.02147690236615}, "properties": {}, "sites": [{"abc": [0.852585, 0.852585, 0.852585], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [10.625143615365001, 0.0, 3.3953771332500002]}, {"abc": [0.147415, 0.147415, 0.147415], "label": "Al", "properties": {"magmom": 0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.8371253846349997, 0.0, 0.5870728667499999]}, {"abc": [0.344837, 0.344837, 0.344837], "label": "Co", "properties": {"magmom": 0.001}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [4.297451455153, 0.0, 1.3732961106500001]}, {"abc": [0.655163, 0.655163, 0.655163], "label": "Co", "properties": {"magmom": 0.001}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [8.164817544847, 0.0, 2.6091538893500004]}, {"abc": [0.446162, 0.752061, 0.054994], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.667617410120999, 0.7383835946849999, 0.2190108553]}, {"abc": [0.247939, 0.945006, 0.553838], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.292465286391, 1.6825907806050002, 2.2056321431000003]}, {"abc": [0.054994, 0.446162, 0.752061], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.780506245643, 0.9442071859200001, 2.99504532945]}, {"abc": [0.945006, 0.553838, 0.247939], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.681762754356999, -0.9442071859200001, 0.98740467055]}, {"abc": [0.752061, 0.054994, 0.446162], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.169803713608999, -1.682590780605, 1.7768178569]}, {"abc": [0.553838, 0.247939, 0.945006], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.794651589879, -0.7383835946850001, 3.7634391447]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-R 3", "number": 148, "point_group": "-3", "symbol": "R-3", "symprec": 0.1, "version": "2.7.0"}}}
	{"cif": "# generated using pymatgen\ndata_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.29084554\n_cell_length_b 5.54518829\n_cell_length_c 11.85510791\n_cell_angle_alpha 89.68621860\n_cell_angle_beta 90.13927045\n_cell_angle_gamma 120.12354714\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlCoO3\n_chemical_formula_sum 'Al6 Co6 O18'\n_cell_volume 300.83541598\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 Al Al0 1 0.66857900 0.33295000 0.25281400 1.0\n Al Al1 1 0.33488100 0.69607100 0.75950200 1.0\n Al Al2 1 0.66565000 0.33523300 0.75046300 1.0\n Al Al3 1 0.33899500 0.66254300 0.25406200 1.0\n Al Al4 1 0.99470200 0.99610600 0.75026000 1.0\n Al Al5 1 0.99809100 0.99176500 0.25241400 1.0\n Co Co6 1 0.66741400 0.00115700 0.49950800 1.0\n Co Co7 1 0.63101400 0.64405300 0.00082600 1.0\n Co Co8 1 0.02828700 0.33511500 0.00167600 1.0\n Co Co9 1 0.01046700 0.66909700 0.50258100 1.0\n Co Co10 1 0.33372700 0.32534500 0.50557000 1.0\n Co Co11 1 0.33129300 0.03115300 0.00711700 1.0\n O O12 1 0.67521800 0.34653200 0.99908500 1.0\n O O13 1 0.35491500 0.65763700 0.50663400 1.0\n O O14 1 0.68597100 0.32567500 0.49600600 1.0\n O O15 1 0.30369200 0.68774400 0.00260600 1.0\n O O16 1 0.95966000 0.99652900 0.99809400 1.0\n O O17 1 0.00858100 0.98204900 0.49565300 1.0\n O O18 1 0.32636200 0.01292900 0.82848000 1.0\n O O19 1 0.33442600 0.32982200 0.33627600 1.0\n O O20 1 0.00819700 0.65433600 0.32425800 1.0\n O O21 1 0.01617500 0.34503300 0.83084400 1.0\n O O22 1 0.64647400 0.65947000 0.82329800 1.0\n O O23 1 0.67106000 0.99488600 0.32405200 1.0\n O O24 1 0.33200500 0.02068200 0.17703200 1.0\n O O25 1 0.32788800 0.30072100 0.66434300 1.0\n O O26 1 0.00091700 0.66030700 0.67846800 1.0\n O O27 1 0.01181800 0.33314600 0.17184700 1.0\n O O28 1 0.65874500 0.66079200 0.17669300 1.0\n O O29 1 0.67479500 0.01112100 0.67954000 1.0\n", "composition": {"Al": 6.0, "Co": 6.0, "O": 18.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-1248478"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.435002920518685, "energy_above_hull": 0.25070923416666524, "formation_energy_per_atom": -2.090569429333334, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 15.3954286, "volume": 300.83541597823785}, "record_id": "mp-1248478", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.290845536872249, "alpha": 89.68621860095634, "b": 5.545188294416791, "beta": 90.13927045010156, "c": 11.855107909472693, "gamma": 120.12354714020687, "matrix": [[5.290278, -0.077211, -0.006606], [-2.712636, 4.836371, 0.01532], [-0.013589, 0.029265, 11.855064]], "pbc": [true, true, true], "volume": 300.83541597823785}, "properties": {}, "sites": [{"abc": [0.668579, 0.33295, 0.252814], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.6303611293160003, 1.566046672991, 2.9978103112219996]}, {"abc": [0.334881, 0.696071, 0.759502], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-0.12689453891599992, 3.3628279274799997, 9.012396401962]}, {"abc": [0.66565, 0.335233, 0.750463], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.601910404805, 1.5918779569879997, 8.897525380292]}, {"abc": [0.338995, 0.662543, 0.254062], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-0.007312651255999919, 3.185564732938, 3.019832027758]}, {"abc": [0.994702, 0.996106, 0.75026], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.5499818285999996, 4.762692594104, 8.903069659148]}, {"abc": [0.998091, 0.991765, 0.252414], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.5864513629119994, 4.726866776323999, 3.0009845751500004]}, {"abc": [0.667414, 0.001157, 0.499508], "label": "Co", "properties": {"magmom": 2.959}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.5208792670279996, -0.031317919486999996, 5.917308096868]}, {"abc": [0.631014, 0.644053, 0.000826], "label": "Co", "properties": {"magmom": 2.413}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.59114690367, 3.0661822025989998, 0.015490696340000002]}, {"abc": [0.028287, 0.335115, 0.001676], "label": "Co", "properties": {"magmom": 1.586}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-0.7594216945179999, 1.618605448248, 0.024816185142]}, {"abc": [0.010467, 0.669097, 0.502581], "label": "Co", "properties": {"magmom": 2.977}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-1.766472843075, 3.249901192415, 5.968311341222001]}, {"abc": [0.333727, 0.325345, 0.50557], "label": "Co", "properties": {"magmom": 2.076}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.876095855956, 1.562517233648, 5.996344391318]}, {"abc": [0.331293, 0.031153, 0.007117], "label": "Co", "properties": {"magmom": 1.757}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.6680286072329997, 0.125296280945, 0.08266123289]}, {"abc": [0.675218, 0.346532, 0.999085], "label": "O", "properties": {"magmom": 0.094}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.618499186187, 1.6530612808990002, 11.845064996572]}, {"abc": [0.354915, 0.657637, 0.506634], "label": "O", "properties": {"magmom": 0.303}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.08678456581199986, 3.1679998172720003, 6.0139089249260005]}, {"abc": [0.685971, 0.325675, 0.496006], "label": "O", "properties": {"magmom": 0.34}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.738799335104, 1.5366362341339996, 5.880640690958001]}, {"abc": [0.303692, 0.687744, 0.002606], "label": "O", "properties": {"magmom": 0.112}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.2590194397419997, 3.302813038602, 0.039424345512]}, {"abc": [0.95966, 0.996529, 0.998094], "label": "O", "properties": {"magmom": 0.114}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.3600846456699998, 4.774696868909, 11.841395558336002]}, {"abc": [0.008581, 0.982049, 0.495653], "label": "O", "properties": {"magmom": 0.325}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.625281024263, 4.7633960416329995, 5.890986341386]}, {"abc": [0.326362, 0.012929, 0.82848], "label": "O", "properties": {"magmom": -0.048}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.680215823072, 0.061576171476999994, 9.819725547628]}, {"abc": [0.334426, 0.329822, 0.336276], "label": "O", "properties": {"magmom": -0.06}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8699498250719999, 1.5791613072159998, 3.9894171565480003]}, {"abc": [0.008197, 0.654336, 0.324258], "label": "O", "properties": {"magmom": 0.067}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.736017322892, 3.173468166459, 3.8540696206500002]}, {"abc": [0.016175, 0.345033, 0.830844], "label": "O", "properties": {"magmom": -0.038}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.8616690294539998, 1.6917733569779996, 9.854887847526001]}, {"abc": [0.646474, 0.65947, 0.823298], "label": "O", "properties": {"magmom": -0.007}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6199373203299998, 3.163620495326, 9.766082954227999]}, {"abc": [0.67106, 0.994886, 0.324052], "label": "O", "properties": {"magmom": 0.069}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8469268325559998, 4.769307966826, 3.8524658304880006]}, {"abc": [0.332005, 0.020682, 0.177032], "label": "O", "properties": {"magmom": -0.058}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6978903217899999, 0.07957222844699999, 2.096849313258]}, {"abc": [0.327888, 0.300721, 0.664343], "label": "O", "properties": {"magmom": -0.036}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.9098443052810001, 1.4485237610180002, 7.878269800544]}, {"abc": [0.000917, 0.660307, 0.678468], "label": "O", "properties": {"magmom": 0.072}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.7955410559779998, 3.2132741894299994, 8.05339140749]}, {"abc": [0.011818, 0.333146, 0.171847], "label": "O", "properties": {"magmom": -0.037}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.843518556335, 1.6153342760229998, 2.0422829102200004]}, {"abc": [0.658745, 0.660792, 0.176693], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.690054932221, 3.150143826282, 2.100478487322]}, {"abc": [0.674795, 0.011121, 0.67954], "label": "O", "properties": {"magmom": 0.06}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.530451648994, 0.021570423245999993, 8.05170286851]}], "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_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.41447980\n_cell_length_b 5.41447980\n_cell_length_c 11.55758800\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 119.99999758\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlCoO3\n_chemical_formula_sum 'Al6 Co6 O18'\n_cell_volume 293.43460356\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 Al Al0 1 0.66666700 0.33333300 0.24968500 1.0\n Al Al1 1 0.33333300 0.66666700 0.74968500 1.0\n Al Al2 1 0.66666700 0.33333300 0.74968500 1.0\n Al Al3 1 0.33333300 0.66666700 0.24968500 1.0\n Al Al4 1 0.00000000 0.00000000 0.76513700 1.0\n Al Al5 1 0.00000000 0.00000000 0.26513700 1.0\n Co Co6 1 0.67248900 0.00000000 0.50080000 1.0\n Co Co7 1 0.67248900 0.67248900 0.00080000 1.0\n Co Co8 1 0.00000000 0.32751100 0.00080000 1.0\n Co Co9 1 0.00000000 0.67248900 0.50080000 1.0\n Co Co10 1 0.32751100 0.32751100 0.50080000 1.0\n Co Co11 1 0.32751100 0.00000000 0.00080000 1.0\n O O12 1 0.66666700 0.33333300 0.02171100 1.0\n O O13 1 0.33333300 0.66666700 0.52171100 1.0\n O O14 1 0.66666700 0.33333300 0.52171100 1.0\n O O15 1 0.33333300 0.66666700 0.02171100 1.0\n O O16 1 0.00000000 0.00000000 0.94515600 1.0\n O O17 1 0.00000000 0.00000000 0.44515600 1.0\n O O18 1 0.37353500 0.00000000 0.82967800 1.0\n O O19 1 0.37353500 0.37353500 0.32967800 1.0\n O O20 1 0.00000000 0.62646500 0.32967800 1.0\n O O21 1 0.00000000 0.37353500 0.82967800 1.0\n O O22 1 0.62646500 0.62646500 0.82967800 1.0\n O O23 1 0.62646500 0.00000000 0.32967800 1.0\n O O24 1 0.31015500 0.00000000 0.17682700 1.0\n O O25 1 0.31015500 0.31015500 0.67682700 1.0\n O O26 1 0.00000000 0.68984500 0.67682700 1.0\n O O27 1 0.00000000 0.31015500 0.17682700 1.0\n O O28 1 0.68984500 0.68984500 0.17682700 1.0\n O O29 1 0.68984500 0.00000000 0.67682700 1.0\n", "composition": {"Al": 6.0, "Co": 6.0, "O": 18.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-1348445"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.546859614612835, "energy_above_hull": 0.23883475983333202, "formation_energy_per_atom": -2.102443903666667, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 12.0000916, "volume": 293.4346035604501}, "record_id": "mp-1348445", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.414479802301325, "alpha": 90.0, "b": 5.414479802301325, "beta": 90.0, "c": 11.557588, "gamma": 119.99999758432213, "matrix": [[2.70724, -4.689077, 0.0], [2.70724, 4.689077, 0.0], [0.0, 0.0, 11.557588]], "pbc": [true, true, true], "volume": 293.4346035604501}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.249685], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.70724, -1.563028792718, 2.8857563597800002]}, {"abc": [0.333333, 0.666667, 0.749685], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.70724, 1.563028792718, 8.664550359780002]}, {"abc": [0.666667, 0.333333, 0.749685], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.70724, -1.563028792718, 8.664550359780002]}, {"abc": [0.333333, 0.666667, 0.249685], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.70724, 1.563028792718, 2.8857563597800002]}, {"abc": [0.0, 0.0, 0.765137], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 8.843138209556]}, {"abc": [0.0, 0.0, 0.265137], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 3.0643442095560003]}, {"abc": [0.672489, 0.0, 0.5008], "label": "Co", "properties": {"magmom": 2.05}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.82058912036, -3.153352702653, 5.788040070400001]}, {"abc": [0.672489, 0.672489, 0.0008], "label": "Co", "properties": {"magmom": 2.042}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [3.64117824072, 0.0, 0.0092460704]}, {"abc": [0.0, 0.327511, 0.0008], "label": "Co", "properties": {"magmom": 2.041}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.88665087964, 1.535724297347, 0.0092460704]}, {"abc": [0.0, 0.672489, 0.5008], "label": "Co", "properties": {"magmom": 2.05}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.82058912036, 3.153352702653, 5.788040070400001]}, {"abc": [0.327511, 0.327511, 0.5008], "label": "Co", "properties": {"magmom": 2.05}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.77330175928, 0.0, 5.788040070400001]}, {"abc": [0.327511, 0.0, 0.0008], "label": "Co", "properties": {"magmom": 2.041}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.88665087964, -1.535724297347, 0.0092460704]}, {"abc": [0.666667, 0.333333, 0.021711], "label": "O", "properties": {"magmom": 0.084}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.70724, -1.563028792718, 0.25092679306800003]}, {"abc": [0.333333, 0.666667, 0.521711], "label": "O", "properties": {"magmom": 0.082}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.70724, 1.563028792718, 6.029720793068001]}, {"abc": [0.666667, 0.333333, 0.521711], "label": "O", "properties": {"magmom": 0.082}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.70724, -1.563028792718, 6.029720793068001]}, {"abc": [0.333333, 0.666667, 0.021711], "label": "O", "properties": {"magmom": 0.084}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.70724, 1.563028792718, 0.25092679306800003]}, {"abc": [0.0, 0.0, 0.945156], "label": "O", "properties": {"magmom": 0.088}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 10.923723643728001]}, {"abc": [0.0, 0.0, 0.445156], "label": "O", "properties": {"magmom": 0.088}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 5.144929643728]}, {"abc": [0.373535, 0.0, 0.829678], "label": "O", "properties": {"magmom": -0.095}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0112488934000001, -1.751534377195, 9.589076496664001]}, {"abc": [0.373535, 0.373535, 0.329678], "label": "O", "properties": {"magmom": -0.094}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0224977868000003, 0.0, 3.8102824966640005]}, {"abc": [0.0, 0.626465, 0.329678], "label": "O", "properties": {"magmom": -0.094}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6959911066000002, 2.937542622805, 3.8102824966640005]}, {"abc": [0.0, 0.373535, 0.829678], "label": "O", "properties": {"magmom": -0.095}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0112488934000001, 1.751534377195, 9.589076496664001]}, {"abc": [0.626465, 0.626465, 0.829678], "label": "O", "properties": {"magmom": -0.095}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.3919822132000004, 0.0, 9.589076496664001]}, {"abc": [0.626465, 0.0, 0.329678], "label": "O", "properties": {"magmom": -0.094}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6959911066000002, -2.937542622805, 3.8102824966640005]}, {"abc": [0.310155, 0.0, 0.176827], "label": "O", "properties": {"magmom": -0.076}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8396640222, -1.454340676935, 2.0436936132760004]}, {"abc": [0.310155, 0.310155, 0.676827], "label": "O", "properties": {"magmom": -0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6793280444, 0.0, 7.822487613276]}, {"abc": [0.0, 0.689845, 0.676827], "label": "O", "properties": {"magmom": -0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8675759778, 3.2347363230650004, 7.822487613276]}, {"abc": [0.0, 0.310155, 0.176827], "label": "O", "properties": {"magmom": -0.076}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8396640222, 1.454340676935, 2.0436936132760004]}, {"abc": [0.689845, 0.689845, 0.176827], "label": "O", "properties": {"magmom": -0.076}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.7351519556, 0.0, 2.0436936132760004]}, {"abc": [0.689845, 0.0, 0.676827], "label": "O", "properties": {"magmom": -0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8675759778, -3.2347363230650004, 7.822487613276]}], "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_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.76980900\n_cell_length_b 4.92083200\n_cell_length_c 7.30050200\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 AlCoO3\n_chemical_formula_sum 'Al4 Co4 O12'\n_cell_volume 171.35321261\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.52303300 0.93329000 0.75000000 1.0\n Al Al1 1 0.02303300 0.56671000 0.25000000 1.0\n Al Al2 1 0.97696700 0.43329000 0.75000000 1.0\n Al Al3 1 0.47696700 0.06671000 0.25000000 1.0\n Co Co4 1 0.50000000 0.50000000 0.50000000 1.0\n Co Co5 1 0.00000000 0.00000000 0.50000000 1.0\n Co Co6 1 0.00000000 0.00000000 0.00000000 1.0\n Co Co7 1 0.50000000 0.50000000 0.00000000 1.0\n O O8 1 0.17877900 0.31870000 0.41685200 1.0\n O O9 1 0.67877900 0.18130000 0.58314800 1.0\n O O10 1 0.32122100 0.81870000 0.08314800 1.0\n O O11 1 0.82122100 0.68130000 0.91685200 1.0\n O O12 1 0.82122100 0.68130000 0.58314800 1.0\n O O13 1 0.32122100 0.81870000 0.41685200 1.0\n O O14 1 0.67877900 0.18130000 0.91685200 1.0\n O O15 1 0.17877900 0.31870000 0.08314800 1.0\n O O16 1 0.65135000 0.41497000 0.25000000 1.0\n O O17 1 0.15135000 0.08503000 0.75000000 1.0\n O O18 1 0.84865000 0.91497000 0.25000000 1.0\n O O19 1 0.34865000 0.58503000 0.75000000 1.0\n", "composition": {"Al": 4.0, "Co": 4.0, "O": 12.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-1378752"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.1593, "density": 5.190860554881366, "energy_above_hull": 0.1820238749999996, "formation_energy_per_atom": -2.1592547884999993, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0001751, "volume": 171.3532126131805}, "record_id": "mp-1378752", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.769809, "alpha": 90.0, "b": 4.920832, "beta": 90.0, "c": 7.300502, "gamma": 90.0, "matrix": [[4.769809, 0.0, 0.0], [0.0, 4.920832, 0.0], [0.0, 0.0, 7.300502]], "pbc": [true, true, true], "volume": 171.3532126131805}, "properties": {}, "sites": [{"abc": [0.523033, 0.93329, 0.75], "label": "Al", "properties": {"magmom": -0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.494767510697, 4.59256329728, 5.475376499999999]}, {"abc": [0.023033, 0.56671, 0.25], "label": "Al", "properties": {"magmom": -0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.10986301069700001, 2.7886847027200004, 1.8251255]}, {"abc": [0.976967, 0.43329, 0.75], "label": "Al", "properties": {"magmom": -0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [4.659945989303001, 2.13214729728, 5.475376499999999]}, {"abc": [0.476967, 0.06671, 0.25], "label": "Al", "properties": {"magmom": -0.0}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [2.275041489303, 0.32826870272, 1.8251255]}, {"abc": [0.5, 0.5, 0.5], "label": "Co", "properties": {"magmom": -0.0}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.3849045, 2.460416, 3.650251]}, {"abc": [0.0, 0.0, 0.5], "label": "Co", "properties": {"magmom": -0.0}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 3.650251]}, {"abc": [0.0, 0.0, 0.0], "label": "Co", "properties": {"magmom": 0.0}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.0], "label": "Co", "properties": {"magmom": -0.001}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [2.3849045, 2.460416, 0.0]}, {"abc": [0.178779, 0.3187, 0.416852], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8527416832110001, 1.5682691584, 3.043228859704]}, {"abc": [0.678779, 0.1813, 0.583148], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.2376461832110004, 0.8921468415999999, 4.257273140296]}, {"abc": [0.321221, 0.8187, 0.083148], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.532162816789, 4.0286851584, 0.607022140296]}, {"abc": [0.821221, 0.6813, 0.916852], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.917067316789, 3.3525628416, 6.6934798597039995]}, {"abc": [0.821221, 0.6813, 0.583148], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.917067316789, 3.3525628416, 4.257273140296]}, {"abc": [0.321221, 0.8187, 0.416852], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.532162816789, 4.0286851584, 3.043228859704]}, {"abc": [0.678779, 0.1813, 0.916852], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.2376461832110004, 0.8921468415999999, 6.6934798597039995]}, {"abc": [0.178779, 0.3187, 0.083148], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8527416832110001, 1.5682691584, 0.607022140296]}, {"abc": [0.65135, 0.41497, 0.25], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.10681509215, 2.04199765504, 1.8251255]}, {"abc": [0.15135, 0.08503, 0.75], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.7219105921500001, 0.41841834495999997, 5.475376499999999]}, {"abc": [0.84865, 0.91497, 0.25], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.04789840785, 4.50241365504, 1.8251255]}, {"abc": [0.34865, 0.58503, 0.75], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6629939078500002, 2.87883434496, 5.475376499999999]}], "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_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.15176427\n_cell_length_b 3.15176427\n_cell_length_c 11.26613500\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000562\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlCoO3\n_chemical_formula_sum 'Al2 Co2 O6'\n_cell_volume 96.91991245\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.00000000 0.00000000 0.50000000 1.0\n Al Al1 1 0.00000000 0.00000000 0.00000000 1.0\n Co Co2 1 0.66666700 0.33333300 0.75000000 1.0\n Co Co3 1 0.33333300 0.66666700 0.25000000 1.0\n O O4 1 0.33333300 0.66666700 0.42185400 1.0\n O O5 1 0.66666700 0.33333300 0.92185400 1.0\n O O6 1 0.66666700 0.33333300 0.57814600 1.0\n O O7 1 0.33333300 0.66666700 0.07814600 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": {"Al": 2.0, "Co": 2.0, "O": 6.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-1386773"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.5886887937573135, "energy_above_hull": 0.2564648724999996, "formation_energy_per_atom": -2.0848137909999997, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 3.6299455, "volume": 96.91991245037583}, "record_id": "mp-1386773", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.1517642678328595, "alpha": 90.0, "b": 3.1517642678328595, "beta": 90.0, "c": 11.266135, "gamma": 120.00000562214608, "matrix": [[1.575882, -2.729508, 0.0], [1.575882, 2.729508, 0.0], [0.0, 0.0, 11.266135]], "pbc": [true, true, true], "volume": 96.91991245037583}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.5], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 5.6330675]}, {"abc": [0.0, 0.0, 0.0], "label": "Al", "properties": {"magmom": 0.002}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.666667, 0.333333, 0.75], "label": "Co", "properties": {"magmom": 1.873}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.575882, -0.9098378196720001, 8.44960125]}, {"abc": [0.333333, 0.666667, 0.25], "label": "Co", "properties": {"magmom": 1.84}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.575882, 0.9098378196720001, 2.81653375]}, {"abc": [0.333333, 0.666667, 0.421854], "label": "O", "properties": {"magmom": -0.058}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.575882, 0.9098378196720001, 4.75266411429]}, {"abc": [0.666667, 0.333333, 0.921854], "label": "O", "properties": {"magmom": -0.061}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.575882, -0.9098378196720001, 10.38573161429]}, {"abc": [0.666667, 0.333333, 0.578146], "label": "O", "properties": {"magmom": -0.061}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.575882, -0.9098378196720001, 6.51347088571]}, {"abc": [0.333333, 0.666667, 0.078146], "label": "O", "properties": {"magmom": -0.058}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.575882, 0.9098378196720001, 0.88040338571]}, {"abc": [0.0, 0.0, 0.25], "label": "O", "properties": {"magmom": 0.068}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 2.81653375]}, {"abc": [0.0, 0.0, 0.75], "label": "O", "properties": {"magmom": 0.068}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 8.44960125]}], "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_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.85975400\n_cell_length_b 4.87726982\n_cell_length_c 5.18667464\n_cell_angle_alpha 116.18739063\n_cell_angle_beta 89.94434658\n_cell_angle_gamma 118.68777878\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlCoO3\n_chemical_formula_sum 'Al2 Co2 O6'\n_cell_volume 93.23909211\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.84619300 0.15513300 0.54410200 1.0\n Al Al1 1 0.15380700 0.84486700 0.45589800 1.0\n Co Co2 1 0.35112000 0.65534900 0.05230800 1.0\n Co Co3 1 0.64888000 0.34465100 0.94769200 1.0\n O O4 1 0.44279000 0.24232300 0.26298000 1.0\n O O5 1 0.23215000 0.04376400 0.74365500 1.0\n O O6 1 0.07487700 0.56525400 0.26698100 1.0\n O O7 1 0.92512300 0.43474600 0.73301900 1.0\n O O8 1 0.76785000 0.95623600 0.25634500 1.0\n O O9 1 0.55721000 0.75767700 0.73702000 1.0\n", "composition": {"Al": 2.0, "Co": 2.0, "O": 6.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-1404938"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.05149999999999988, "density": 4.769837480222434, "energy_above_hull": 5.074607378499999, "formation_energy_per_atom": 2.733328715, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0001788, "volume": 93.23909210681114}, "record_id": "mp-1404938", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.859754, "alpha": 116.1873906302567, "b": 4.877269816954256, "beta": 89.94434657994104, "c": 5.186674642311103, "gamma": 118.68777878275331, "matrix": [[-4.859754, 0.0, 0.0], [2.341267, 4.278578, 0.0], [-0.005038, -2.60645, -4.484193]], "pbc": [true, true, true], "volume": 93.23909210681114}, "properties": {}, "sites": [{"abc": [0.846193, 0.155133, 0.544102], "label": "Al", "properties": {"magmom": 0.001}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [-3.7518232288869995, -0.7544260170260001, -2.439858379686]}, {"abc": [0.153807, 0.844867, 0.455898], "label": "Al", "properties": {"magmom": 0.001}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [1.2282982288870001, 2.4265540170260005, -2.0443346203140003]}, {"abc": [0.35112, 0.655349, 0.052308], "label": "Co", "properties": {"magmom": 0.028}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-0.17227336500099982, 2.667623627122, -0.23455916744400002]}, {"abc": [0.64888, 0.344651, 0.947692], "label": "Co", "properties": {"magmom": 0.028}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [-2.3512516349989996, -0.9954956271219999, -4.249633832556]}, {"abc": [0.44279, 0.242323, 0.26298], "label": "O", "properties": {"magmom": -0.026}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.585832523659, 0.35135363569400013, -1.17925307514]}, {"abc": [0.23215, 0.043764, 0.743655], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.029475216002, -1.751051887158, -3.334692545415]}, {"abc": [0.074877, 0.565254, 0.266981], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.9581816862820002, 1.7226107013620005, -1.1971943313330002]}, {"abc": [0.925123, 0.434746, 0.733019], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.4817066862819996, -0.05048270136199995, -3.286998668667]}, {"abc": [0.76785, 0.956236, 0.256345], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.4940497839979998, 3.423179887158, -1.149500454585]}, {"abc": [0.55721, 0.757677, 0.73702], "label": "O", "properties": {"magmom": -0.026}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.9376924763409993, 1.3207743643060006, -3.30493992486]}], "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_AlCoO3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69448200\n_cell_length_b 3.69448200\n_cell_length_c 3.69448200\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 AlCoO3\n_chemical_formula_sum 'Al1 Co1 O3'\n_cell_volume 50.42671355\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.00000000 0.00000000 0.00000000 1.0\n Co Co1 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": {"Al": 1.0, "Co": 1.0, "O": 3.0}, "description": "", "elements": ["Al", "Co", "O"], "formula": "AlCoO3", "identifiers": {"materials_project_id": "mp-1435808"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.409719421098824, "energy_above_hull": 1.2979348044999988, "formation_energy_per_atom": -1.0433438590000002, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0315227, "volume": 50.426713548382544}, "record_id": "mp-1435808", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.694482, "alpha": 90.0, "b": 3.694482, "beta": 90.0, "c": 3.694482, "gamma": 90.0, "matrix": [[3.694482, 0.0, 0.0], [0.0, 3.694482, 0.0], [0.0, 0.0, 3.694482]], "pbc": [true, true, true], "volume": 50.426713548382544}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Al", "properties": {"magmom": 0.003}, "species": [{"element": "Al", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Co", "properties": {"magmom": -0.014}, "species": [{"element": "Co", "occu": 1.0}], "xyz": [1.847241, 1.847241, 1.847241]}, {"abc": [0.5, 0.5, 0.0], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.847241, 1.847241, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.847241, 0.0, 1.847241]}, {"abc": [0.0, 0.5, 0.5], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.847241, 1.847241]}], "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"}}}

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