raw/materials_project/materials_project-part-03.jsonl

{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.37500949\n_cell_length_b   4.51565428\n_cell_length_c   4.50201309\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   K2O\n_chemical_formula_sum   'K4 O2'\n_cell_volume   129.60097650\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.24990177  0.99754293  0.50000000  1.0\n  K  K1  1  0.25009823  0.49754293  -0.00000000  1.0\n  K  K2  1  0.74990177  0.50245707  -0.00000000  1.0\n  K  K3  1  0.75009823  0.00245707  0.50000000  1.0\n  O  O4  1  -0.00000000  0.00000000  -0.00000000  1.0\n  O  O5  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"K": 4.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-971"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.7052, "density": 2.4138111047782043, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.2338780364999995, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 129.6009765025592}, "record_id": "mp-971", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.37500949, "alpha": 90.0, "b": 4.51565428, "beta": 90.0, "c": 4.50201309, "gamma": 90.0, "matrix": [[6.37500949, 0.0, 0.0], [-0.0, 4.51565428, 0.0], [0.0, 0.0, 4.50201309]], "pbc": [true, true, true], "volume": 129.6009765025592}, "properties": {}, "sites": [{"abc": [0.24990177, 0.99754293, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.5931261553177973, 4.50455900133824, 2.251006545]}, {"abc": [0.25009823, 0.49754293, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.5943785896822025, 2.2467318613382403, 0.0]}, {"abc": [0.74990177, 0.50245707, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.780630900317798, 2.2689224186617594, 0.0]}, {"abc": [0.75009823, 0.00245707, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.7818833346822025, 0.011095278661759599, 2.251006545]}, {"abc": [-0.0, 0.0, -0.0], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.187504745, 2.25782714, 2.251006545]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "4/mmm", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.22695334\n_cell_length_b   5.22695334\n_cell_length_c   7.59035953\n_cell_angle_alpha   70.34957383\n_cell_angle_beta   70.34957383\n_cell_angle_gamma   90.03292635\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O\n_chemical_formula_sum   'K4 O2'\n_cell_volume   182.40890167\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.07607100  0.32098500  0.85153900  1.0\n  K  K1  1  0.67901500  0.92392900  0.64846100  1.0\n  K  K2  1  0.92392900  0.67901500  0.14846100  1.0\n  K  K3  1  0.32098500  0.07607100  0.35153900  1.0\n  O  O4  1  0.12936900  0.87063100  0.75000000  1.0\n  O  O5  1  0.87063100  0.12936900  0.25000000  1.0\n", "composition": {"K": 4.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-684904"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.3822, "density": 1.7150055365453891, "energy_above_hull": 0.03963699833333356, "formation_energy_per_atom": -1.1942410381666662, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 5.06e-05, "volume": 182.40890166578023}, "record_id": "mp-684904", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.226953341295482, "alpha": 70.34957383453471, "b": 5.226953341295482, "beta": 70.34957383453471, "c": 7.590359528798092, "gamma": 90.03292634506704, "matrix": [[3.697076, 3.694952, 0.0], [-3.697076, 3.694952, 0.0], [0.0, 3.610804, 6.6765]], "pbc": [true, true, true], "volume": 182.40890166578023}, "properties": {}, "sites": [{"abc": [0.076071, 0.320985, 0.851539], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-0.9054656714640001, 4.541843288668, 5.6853001335]}, {"abc": [0.679015, 0.923929, 0.648461], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-0.9054656714639999, 8.264266711331999, 4.329449866499999]}, {"abc": [0.923929, 0.679015, 0.148461], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.9054656714639999, 6.458864711332, 0.9911998665]}, {"abc": [0.320985, 0.076071, 0.351539], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.9054656714640001, 2.736441288668, 2.3470501335]}, {"abc": [0.129369, 0.870631, 0.75], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.7405019499120002, 6.403055, 5.007375]}, {"abc": [0.870631, 0.129369, 0.25], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.7405019499120002, 4.597652999999999, 1.669125]}], "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_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   12.78903354\n_cell_length_b   6.57169425\n_cell_length_c   6.35113972\n_cell_angle_alpha   89.99839022\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O\n_chemical_formula_sum   'K16 O8'\n_cell_volume   533.78546380\n_cell_formula_units_Z   8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.01976553  0.73846364  0.00071057  1.0\n  K  K1  1  0.01977843  0.76156613  0.50067731  1.0\n  K  K2  1  0.20493945  0.12302354  0.14103553  1.0\n  K  K3  1  0.20493878  0.37694052  0.64102620  1.0\n  K  K4  1  0.29506122  0.87694052  0.64102620  1.0\n  K  K5  1  0.29506055  0.62302354  0.14103553  1.0\n  K  K6  1  0.48023447  0.23846364  0.00071057  1.0\n  K  K7  1  0.48022157  0.26156613  0.50067731  1.0\n  K  K8  1  0.51977843  0.73843387  0.49932269  1.0\n  K  K9  1  0.51976553  0.76153636  0.99928943  1.0\n  K  K10  1  0.70493878  0.12305948  0.35897380  1.0\n  K  K11  1  0.70493945  0.37697646  0.85896447  1.0\n  K  K12  1  0.79506122  0.62305948  0.35897380  1.0\n  K  K13  1  0.79506055  0.87697646  0.85896447  1.0\n  K  K14  1  0.98022157  0.23843387  0.49932269  1.0\n  K  K15  1  0.98023447  0.26153636  0.99928943  1.0\n  O  O16  1  0.11501987  0.02797555  0.76624542  1.0\n  O  O17  1  0.11501944  0.47202107  0.26624222  1.0\n  O  O18  1  0.38498056  0.97202107  0.26624222  1.0\n  O  O19  1  0.38498013  0.52797555  0.76624542  1.0\n  O  O20  1  0.61501944  0.02797893  0.73375778  1.0\n  O  O21  1  0.61501987  0.47202445  0.23375458  1.0\n  O  O22  1  0.88498056  0.52797893  0.73375778  1.0\n  O  O23  1  0.88498013  0.97202445  0.23375458  1.0\n", "composition": {"K": 16.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-776016"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.3316, "density": 2.344254742699141, "energy_above_hull": 0.020421303750000064, "formation_energy_per_atom": -1.2134567327499994, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 533.7854637961162}, "record_id": "mp-776016", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 12.78903354, "alpha": 89.99839021777687, "b": 6.571694250648462, "beta": 90.0, "c": 6.3511397206266755, "gamma": 90.0, "matrix": [[12.78903354, 0.0, 0.0], [0.0, 6.57169425, 9.232e-05], [0.0, 8.922e-05, 6.35113972]], "pbc": [true, true, true], "volume": 533.7854637961162}, "properties": {}, "sites": [{"abc": [0.01976553, 0.73846364, 0.00071057], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.2527820261058762, 4.852957320219126, 0.0045811043140852]}, {"abc": [0.01977843, 0.76156613, 0.50067731], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.2529470046385422, 5.00482442794535, 3.179941858228875]}, {"abc": [0.20493945, 0.12302354, 0.14103553], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.620977499719153, 0.8084856736226317, 0.8957477140474643]}, {"abc": [0.20493878, 0.37694052, 0.6410262], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.620968931066681, 2.4771950402335743, 4.07128175952947]}, {"abc": [0.29506122, 0.87694052, 0.6410262], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.773547838933319, 5.763042165233574, 4.0713279195294705]}, {"abc": [0.29506055, 0.62302354, 0.14103553], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.7735392702808466, 4.0943327986226326, 0.8957938740474644]}, {"abc": [0.48023447, 0.23846364, 0.00071057], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.1417347438941245, 1.5671101952191255, 0.0045349443140852]}, {"abc": [0.48022157, 0.26156613, 0.50067731], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.141569765361457, 1.7189773029453508, 3.1798956982288753]}, {"abc": [0.51977843, 0.73843387, 0.49932269], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.647463774638543, 4.852806167054649, 3.1713363417711253]}, {"abc": [0.51976553, 0.76153636, 0.99928943], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.6472987961058765, 5.004673274780875, 6.346697095685915]}, {"abc": [0.70493878, 0.12305948, 0.3589738], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [9.015485701066682, 0.808741304766426, 2.2799041204705297]}, {"abc": [0.70493945, 0.37697646, 0.85896447], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [9.015494269719154, 2.4774506713773685, 5.455438165952536]}, {"abc": [0.79506122, 0.62305948, 0.3589738], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [10.168064608933319, 4.094588429766426, 2.27995028047053]}, {"abc": [0.79506055, 0.87697646, 0.85896447], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [10.168056040280847, 5.763297796377368, 5.455484325952535]}, {"abc": [0.98022157, 0.23843387, 0.49932269], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [12.536086535361457, 1.5669590420546493, 3.171290181771125]}, {"abc": [0.98023447, 0.26153636, 0.99928943], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [12.536251513894124, 1.7188261497808748, 6.346650935685915]}, {"abc": [0.11501987, 0.02797555, 0.76624542], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4709929751964397, 0.1839151254919599, 4.866534304932858]}, {"abc": [0.11501944, 0.47202107, 0.26624222], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4709874759120176, 3.102001905728716, 1.6909851155681606]}, {"abc": [0.38498056, 0.97202107, 0.26624222], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.923529294087983, 6.387849030728717, 1.6910312755681607]}, {"abc": [0.38498013, 0.52797555, 0.76624542], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.92352379480356, 3.46976225049196, 4.866580464932858]}, {"abc": [0.61501944, 0.02797893, 0.73375778], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.8655042459120175, 0.18393443927128408, 4.66020076443184]}, {"abc": [0.61501987, 0.47202445, 0.23375458], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.86550974519644, 3.1020212195080403, 1.4846515750671416]}, {"abc": [0.88498056, 0.52797893, 0.73375778], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.318046064087984, 3.4697815642712837, 4.660246924431839]}, {"abc": [0.88498013, 0.97202445, 0.23375458], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.31804056480356, 6.38786834450804, 1.4846977350671415]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2ac 2ab", "number": 61, "point_group": "mmm", "symbol": "Pbca", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.98977200\n_cell_length_b   4.10796400\n_cell_length_c   4.34260171\n_cell_angle_alpha   68.07329769\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O\n_chemical_formula_sum   'K4 O2'\n_cell_volume   132.22115101\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.88342900  0.08257500  0.03751900  1.0\n  K  K1  1  0.62879500  0.35759300  0.40796500  1.0\n  K  K2  1  0.12879500  0.64240700  0.59203500  1.0\n  K  K3  1  0.38342900  0.91742500  0.96248100  1.0\n  O  O4  1  0.23777600  0.29007400  0.24208400  1.0\n  O  O5  1  0.73777600  0.70992600  0.75791600  1.0\n", "composition": {"K": 4.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-776081"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.7426, "density": 2.365977560165792, "energy_above_hull": 0.08821736333333341, "formation_energy_per_atom": -1.145660673166666, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 1.7e-06, "volume": 132.22115101127812}, "record_id": "mp-776081", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.989772, "alpha": 68.07329768571859, "b": 4.107964, "beta": 90.0, "c": 4.342601712711978, "gamma": 90.0, "matrix": [[7.989772, 0.0, 0.0], [0.0, 4.107964, 0.0], [0.0, 1.621615, 4.028468]], "pbc": [true, true, true], "volume": 132.22115101127812}, "properties": {}, "sites": [{"abc": [0.883429, 0.082575, 0.037519], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [7.058396288188001, 0.40005650048499997, 0.15114409089199998]}, {"abc": [0.628795, 0.357593, 0.407965], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [5.02392868474, 2.130541334127, 1.6434739476200002]}, {"abc": [0.128795, 0.642407, 0.592035], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.02904268474, 3.599037665873, 2.38499405238]}, {"abc": [0.383429, 0.917425, 0.962481], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.063510288188, 5.329522499515001, 3.877323909108]}, {"abc": [0.237776, 0.290074, 0.242084], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8997760270719999, 1.584180594996, 0.9752276473120001]}, {"abc": [0.737776, 0.709926, 0.757916], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.894662027072, 4.145398405004, 3.0532403526880003]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "P 2yb", "number": 4, "point_group": "2", "symbol": "P2_1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   9.36386100\n_cell_length_b   9.36386100\n_cell_length_c   6.66570400\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   K2O\n_chemical_formula_sum   'K16 O8'\n_cell_volume   584.46154375\n_cell_formula_units_Z   8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.24915000  0.24915000  0.50000000  1.0\n  K  K1  1  0.75085000  0.24915000  0.50000000  1.0\n  K  K2  1  0.00000000  0.50000000  0.96398600  1.0\n  K  K3  1  0.50000000  0.50000000  0.24448700  1.0\n  K  K4  1  0.00000000  0.50000000  0.46398600  1.0\n  K  K5  1  0.50000000  0.50000000  0.75551300  1.0\n  K  K6  1  0.24915000  0.75085000  0.50000000  1.0\n  K  K7  1  0.75085000  0.75085000  0.50000000  1.0\n  K  K8  1  0.74915000  0.74915000  0.00000000  1.0\n  K  K9  1  0.25085000  0.74915000  0.00000000  1.0\n  K  K10  1  0.00000000  0.00000000  0.25551300  1.0\n  K  K11  1  0.00000000  0.00000000  0.74448700  1.0\n  K  K12  1  0.50000000  0.00000000  0.03601400  1.0\n  K  K13  1  0.50000000  0.00000000  0.53601400  1.0\n  K  K14  1  0.74915000  0.25085000  0.00000000  1.0\n  K  K15  1  0.25085000  0.25085000  0.00000000  1.0\n  O  O16  1  0.00000000  0.26717000  0.72649000  1.0\n  O  O17  1  0.76717000  0.50000000  0.22649000  1.0\n  O  O18  1  0.23283000  0.50000000  0.22649000  1.0\n  O  O19  1  0.00000000  0.73283000  0.72649000  1.0\n  O  O20  1  0.50000000  0.76717000  0.77351000  1.0\n  O  O21  1  0.26717000  0.00000000  0.27351000  1.0\n  O  O22  1  0.73283000  0.00000000  0.27351000  1.0\n  O  O23  1  0.50000000  0.23283000  0.77351000  1.0\n", "composition": {"K": 16.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-776104"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.8928999999999999, "density": 2.1409947642857037, "energy_above_hull": 0.05106739041666719, "formation_energy_per_atom": -1.1828106460833325, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 2.51e-05, "volume": 584.4615437466448}, "record_id": "mp-776104", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 9.363861, "alpha": 90.0, "b": 9.363861, "beta": 90.0, "c": 6.665704, "gamma": 90.0, "matrix": [[9.363861, 0.0, 0.0], [0.0, 9.363861, 0.0], [0.0, 0.0, 6.665704]], "pbc": [true, true, true], "volume": 584.4615437466448}, "properties": {}, "sites": [{"abc": [0.24915, 0.24915, 0.5], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.33300596815, 2.33300596815, 3.332852]}, {"abc": [0.75085, 0.24915, 0.5], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [7.03085503185, 2.33300596815, 3.332852]}, {"abc": [0.0, 0.5, 0.963986], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 4.6819305, 6.425645336144]}, {"abc": [0.5, 0.5, 0.244487], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.6819305, 4.6819305, 1.629677973848]}, {"abc": [0.0, 0.5, 0.463986], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 4.6819305, 3.092793336144]}, {"abc": [0.5, 0.5, 0.755513], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.6819305, 4.6819305, 5.036026026152]}, {"abc": [0.24915, 0.75085, 0.5], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.33300596815, 7.03085503185, 3.332852]}, {"abc": [0.75085, 0.75085, 0.5], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [7.03085503185, 7.03085503185, 3.332852]}, {"abc": [0.74915, 0.74915, 0.0], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [7.01493646815, 7.01493646815, 0.0]}, {"abc": [0.25085, 0.74915, 0.0], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.3489245318500003, 7.01493646815, 0.0]}, {"abc": [0.0, 0.0, 0.255513], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 1.7031740261519999]}, {"abc": [0.0, 0.0, 0.744487], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 4.9625299738479995]}, {"abc": [0.5, 0.0, 0.036014], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.6819305, 0.0, 0.24005866385599997]}, {"abc": [0.5, 0.0, 0.536014], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.6819305, 0.0, 3.5729106638559998]}, {"abc": [0.74915, 0.25085, 0.0], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [7.01493646815, 2.3489245318500003, 0.0]}, {"abc": [0.25085, 0.25085, 0.0], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.3489245318500003, 2.3489245318500003, 0.0]}, {"abc": [0.0, 0.26717, 0.72649], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 2.5017427433700004, 4.84256729896]}, {"abc": [0.76717, 0.5, 0.22649], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.18367324337, 4.6819305, 1.50971529896]}, {"abc": [0.23283, 0.5, 0.22649], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.18018775663, 4.6819305, 1.50971529896]}, {"abc": [0.0, 0.73283, 0.72649], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.86211825663, 4.84256729896]}, {"abc": [0.5, 0.76717, 0.77351], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.6819305, 7.18367324337, 5.15598870104]}, {"abc": [0.26717, 0.0, 0.27351], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.5017427433700004, 0.0, 1.8231367010399997]}, {"abc": [0.73283, 0.0, 0.27351], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.86211825663, 0.0, 1.8231367010399997]}, {"abc": [0.5, 0.23283, 0.77351], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.6819305, 2.18018775663, 5.15598870104]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "P 4n 2n -1n", "number": 137, "point_group": "4/mmm", "symbol": "P4_2/nmc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.29146496\n_cell_length_b   10.45040975\n_cell_length_c   7.51239517\n_cell_angle_alpha   27.67468667\n_cell_angle_beta   61.65781725\n_cell_angle_gamma   46.35816757\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O\n_chemical_formula_sum   'K4 O2'\n_cell_volume   175.82993585\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.94765543  0.99920022  0.10536918  1.0\n  K  K1  1  0.55095240  0.99841623  0.90219165  1.0\n  K  K2  1  0.30396164  0.49393598  0.90677974  1.0\n  K  K3  1  0.70129033  0.49401629  0.11046123  1.0\n  O  O4  1  0.49687661  0.50307700  0.49935909  1.0\n  O  O5  1  0.75521458  0.99003929  0.51245912  1.0\n", "composition": {"K": 4.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-936219"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.3667, "density": 1.7791752852849274, "energy_above_hull": 0.03945618999999967, "formation_energy_per_atom": -1.1944218464999998, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 1e-07, "volume": 175.829935846865}, "record_id": "mp-936219", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.291464956464368, "alpha": 27.67468666911874, "b": 10.450409748125631, "beta": 61.65781724609184, "c": 7.5123951661339, "gamma": 46.358167570219166, "matrix": [[5.98606672, 0.00023291, 4.16322788], [2.14169016, 3.65825652, 9.55203572], [-0.8472834, 0.01097246, 7.46445387]], "pbc": [true, true, true], "volume": 175.829935846865}, "properties": {}, "sites": [{"abc": [0.94765543, 0.99920022, 0.10536918], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [7.723428353508512, 3.6567075971394187, 14.276225083110972]}, {"abc": [0.5509524, 0.99841623, 0.90219165], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.671924032655815, 3.662490267186763, 18.565015837944834]}, {"abc": [0.30396164, 0.49393598, 0.90677974], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.1090930642382615, 1.8169649194291224, 12.75217123793232]}, {"abc": [0.70129033, 0.49401629, 0.11046123], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [5.162408566120942, 1.808613682837197, 8.463025457930739]}, {"abc": [0.49687661, 0.503077, 0.49935909], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6286729320936333, 1.8459796404839366, 10.601462921452505]}, {"abc": [0.75521458, 0.99003929, 0.51245912], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.206924163648556, 3.627616521922334, 16.426248518622725]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "I 4bw 2bw -1bw", "number": 141, "point_group": "4/mmm", "symbol": "I4_1/amd", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.25543619\n_cell_length_b   4.25543619\n_cell_length_c   9.62648462\n_cell_angle_alpha   103.45985692\n_cell_angle_beta   76.54014308\n_cell_angle_gamma   119.89516979\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O\n_chemical_formula_sum   'K4 O2'\n_cell_volume   145.56083093\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.11571754  0.88428246  0.66987409  1.0\n  K  K1  1  0.29662202  0.70337798  0.10434004  1.0\n  K  K2  1  0.70337798  0.29662202  0.89565996  1.0\n  K  K3  1  0.88428246  0.11571754  0.33012591  1.0\n  O  O4  1  0.59204940  0.40795060  0.21246342  1.0\n  O  O5  1  0.40795060  0.59204940  0.78753658  1.0\n", "composition": {"K": 4.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-998914"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.8601, "density": 2.149151487134136, "energy_above_hull": 0.04115010166666666, "formation_energy_per_atom": -1.1927279348333328, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 145.5608309347863}, "record_id": "mp-998914", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.255436188934451, "alpha": 103.45985692340605, "b": 4.255436188934451, "beta": 76.54014307659396, "c": 9.626484617778756, "gamma": 119.89516979479863, "matrix": [[3.68326323, 2.13108859, 0.02775893], [-3.68326323, 2.13108859, -0.02775893], [2.51875606, 0.0, 9.29112878]], "pbc": [true, true, true], "volume": 145.56083093478628}, "properties": {}, "sites": [{"abc": [0.11571754, 0.88428246, 0.66987409], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-1.1435774860794061, 2.13108859, 6.202551896760574]}, {"abc": [0.29662202, 0.70337798, 0.10434004], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-1.2353821630007085, 2.13108859, 0.9581456383296283]}, {"abc": [0.70337798, 0.29662202, 0.89565996], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.7541382230007088, 2.13108859, 8.332983141670372]}, {"abc": [0.88428246, 0.11571754, 0.33012591], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.662333546079406, 2.13108859, 3.0885768832394254]}, {"abc": [0.5920494, 0.4079506, 0.21246342], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2132278673804489, 2.13108859, 1.9791353819615114]}, {"abc": [0.4079506, 0.5920494, 0.78753658], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.305528192619551, 2.13108859, 7.311993398038489]}], "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_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.20878793\n_cell_length_b   5.84876210\n_cell_length_c   6.22027250\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   K2O\n_chemical_formula_sum   'K4 O2'\n_cell_volume   153.11946770\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.50000000  0.82959270  0.20439799  1.0\n  K  K1  1  0.00000000  0.32959270  0.29560201  1.0\n  K  K2  1  0.00000000  0.67040730  0.70439799  1.0\n  K  K3  1  0.50000000  0.17040730  0.79560201  1.0\n  O  O4  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O5  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"K": 4.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-998915"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.6558, "density": 2.0430601083050464, "energy_above_hull": 0.029554350000000174, "formation_energy_per_atom": -1.2043236864999993, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0, "volume": 153.11946770450476}, "record_id": "mp-998915", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.208787926466951, "alpha": 90.0, "b": 5.8487621017499745, "beta": 90.0, "c": 6.2202725011519595, "gamma": 90.0, "matrix": [[4.208787926466951, 0.0, 0.0], [0.0, 5.8487621017499745, 0.0], [0.0, 0.0, 6.2202725011519595]], "pbc": [true, true, true], "volume": 153.11946770450476}, "properties": {}, "sites": [{"abc": [0.5, 0.8295926987513198, 0.2043979913306302], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.1043939632334756, 4.852090336345203, 1.2714112047646156]}, {"abc": [0.0, 0.3295926987513198, 0.2956020086693698], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 1.9277092854702154, 1.8387250458113642]}, {"abc": [0.0, 0.6704073012486802, 0.7043979913306302], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 3.921052816279759, 4.381547455340596]}, {"abc": [0.5, 0.1704073012486802, 0.7956020086693698], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.1043939632334756, 0.9966717654047719, 4.948861296387344]}, {"abc": [0.0, 0.0, 0.0], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.1043939632334756, 2.9243810508749872, 3.1101362505759798]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2 2n", "number": 58, "point_group": "mmm", "symbol": "Pnnm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.96582103\n_cell_length_b   8.12694434\n_cell_length_c   8.11949872\n_cell_angle_alpha   95.86375396\n_cell_angle_beta   64.60085557\n_cell_angle_gamma   148.99868331\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O\n_chemical_formula_sum   'K6 O3'\n_cell_volume   175.62937368\n_cell_formula_units_Z   3\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.11003221  0.85133324  0.07532373  1.0\n  K  K1  1  0.16741644  0.76182267  0.66697816  1.0\n  K  K2  1  0.16438900  0.49871494  0.93032642  1.0\n  K  K3  1  0.33755123  0.66845209  0.25849139  1.0\n  K  K4  1  0.95091494  0.02211076  0.40666299  1.0\n  K  K5  1  0.33366113  0.25924793  0.66886427  1.0\n  O  O6  1  0.45580143  0.12259673  0.33452680  1.0\n  O  O7  1  0.92662520  0.26010809  0.66820569  1.0\n  O  O8  1  0.43975944  0.43981055  0.00126954  1.0\n", "composition": {"K": 6.0, "O": 3.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-998929"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8533999999999997, "density": 2.6718105552650893, "energy_above_hull": 0.05939445666666687, "formation_energy_per_atom": -1.1744835798333324, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 175.6293736781826}, "record_id": "mp-998929", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.965821033712498, "alpha": 95.86375395830488, "b": 8.126944344862332, "beta": 64.60085556577181, "c": 8.119498718132789, "gamma": 148.99868331348108, "matrix": [[6.03576632, -3.4773799, 0.00407862], [-6.0369275, 3.48074218, 4.18176573], [0.00976176, -6.95447651, 4.19063487]], "pbc": [true, true, true], "volume": 175.62937367818262}, "properties": {}, "sites": [{"abc": [0.11003221, 0.85133324, 0.07532373], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-4.474573048812368, 2.056810611366902, 3.8761791968906807]}, {"abc": [0.16741644, 0.76182267, 0.66697816], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-3.582070835956963, -2.568946208639357, 5.981508696608051]}, {"abc": [0.164389, 0.49871494, 0.93032642], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-2.009410723134671, -5.305678111449326, 5.984837861528452]}, {"abc": [0.33755123, 0.66845209, 0.25849139], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-1.995493128333655, -0.644756777242369, 3.879929817835348]}, {"abc": [0.95091494, 0.02211076, 0.40666299], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [5.609989059456182, -6.057858855443214, 1.800516545357299]}, {"abc": [0.33366113, 0.25924793, 0.66886427], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.45536894528838134, -4.9094921559378975, 3.888440919364575]}, {"abc": [0.45580143, 0.12259673, 0.3345268], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0142689193899304, -3.484725894397654, 1.9164095179820058]}, {"abc": [0.9266252, 0.26010809, 0.66820569], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.029162355506203, -6.963879420044585, 3.89169651377739]}, {"abc": [0.43975944, 0.43981055, 0.00126954], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.0008067942862739334, -0.007172491005762272, 1.8462984759224845]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3", "number": 143, "point_group": "3", "symbol": "P3", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.04495800\n_cell_length_b   4.04495800\n_cell_length_c   5.11527000\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   K2O\n_chemical_formula_sum   'K2 O1'\n_cell_volume   83.69443756\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.00000000  0.00000000  0.00000000  1.0\n  K  K1  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O2  1  0.00000000  0.00000000  0.50000000  1.0\n", "composition": {"K": 2.0, "O": 1.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-1223784"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.86889526577865, "energy_above_hull": 0.19996455333333385, "formation_energy_per_atom": -1.0339134831666659, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 1.63e-05, "volume": 83.69443756433274}, "record_id": "mp-1223784", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.044958, "alpha": 90.0, "b": 4.044958, "beta": 90.0, "c": 5.11527, "gamma": 90.0, "matrix": [[4.044958, 0.0, 0.0], [0.0, 4.044958, 0.0], [0.0, 0.0, 5.11527]], "pbc": [true, true, true], "volume": 83.69443756433274}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "K", "properties": {"magmom": -0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "K", "properties": {"magmom": 0.0}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.022479, 2.022479, 2.557635]}, {"abc": [0.0, 0.0, 0.5], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 2.557635]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4 2", "number": 123, "point_group": "4/mmm", "symbol": "P4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   9.24024423\n_cell_length_b   9.24024423\n_cell_length_c   6.46358172\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   K2O\n_chemical_formula_sum   'K16 O8'\n_cell_volume   551.87426758\n_cell_formula_units_Z   8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.24968313  0.24968313  0.50000000  1.0\n  K  K1  1  0.75031687  0.24968313  0.50000000  1.0\n  K  K2  1  0.00000000  0.50000000  0.99541959  1.0\n  K  K3  1  0.50000000  0.50000000  0.24886808  1.0\n  K  K4  1  0.00000000  0.50000000  0.49541959  1.0\n  K  K5  1  0.50000000  0.50000000  0.75113192  1.0\n  K  K6  1  0.24968313  0.75031687  0.50000000  1.0\n  K  K7  1  0.75031687  0.75031687  0.50000000  1.0\n  K  K8  1  0.74968313  0.74968313  -0.00000000  1.0\n  K  K9  1  0.25031687  0.74968313  -0.00000000  1.0\n  K  K10  1  0.00000000  -0.00000000  0.25113192  1.0\n  K  K11  1  0.00000000  -0.00000000  0.74886808  1.0\n  K  K12  1  0.50000000  -0.00000000  0.00458041  1.0\n  K  K13  1  0.50000000  -0.00000000  0.50458041  1.0\n  K  K14  1  0.74968313  0.25031687  -0.00000000  1.0\n  K  K15  1  0.25031687  0.25031687  -0.00000000  1.0\n  O  O16  1  0.00000000  0.26750229  0.74707321  1.0\n  O  O17  1  0.76750229  0.50000000  0.24707321  1.0\n  O  O18  1  0.23249771  0.50000000  0.24707321  1.0\n  O  O19  1  0.00000000  0.73249771  0.74707321  1.0\n  O  O20  1  0.50000000  0.76750229  0.75292679  1.0\n  O  O21  1  0.26750229  -0.00000000  0.25292679  1.0\n  O  O22  1  0.73249771  -0.00000000  0.25292679  1.0\n  O  O23  1  0.50000000  0.23249771  0.75292679  1.0\n", "composition": {"K": 16.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-1974672"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.3903999999999999, "density": 2.2674170161472116, "energy_above_hull": 0.07153035500000016, "formation_energy_per_atom": -1.1078759170833337, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 551.8742675814266}, "record_id": "mp-1974672", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 9.24024423, "alpha": 90.0, "b": 9.24024423, "beta": 90.0, "c": 6.46358172, "gamma": 90.0, "matrix": [[9.24024423, 0.0, -0.0], [-0.0, 9.24024423, 0.0], [-0.0, -0.0, 6.46358172]], "pbc": [true, true, true], "volume": 551.8742675814266}, "properties": {}, "sites": [{"abc": [0.24968313, 0.24968313, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.30713310131084, 2.30713310131084, 3.23179086]}, {"abc": [0.75031687, 0.24968313, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.93311112868916, 2.30713310131084, 3.23179086]}, {"abc": [0.0, 0.5, 0.99541959], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 4.620122115, 6.433975865653895]}, {"abc": [0.5, 0.5, 0.24886808], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.620122115, 4.620122115, 1.6085791725794976]}, {"abc": [0.0, 0.5, 0.49541959], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 4.620122115, 3.2021850056538947]}, {"abc": [0.5, 0.5, 0.75113192], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.620122115, 4.620122115, 4.855002547420502]}, {"abc": [0.24968313, 0.75031687, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.30713310131084, 6.93311112868916, 3.23179086]}, {"abc": [0.75031687, 0.75031687, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.93311112868916, 6.93311112868916, 3.23179086]}, {"abc": [0.74968313, 0.74968313, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.92725521631084, 6.92725521631084, 0.0]}, {"abc": [0.25031687, 0.74968313, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.3129890136891604, 6.92725521631084, 0.0]}, {"abc": [0.0, -0.0, 0.25113192], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 1.6232116874205023]}, {"abc": [0.0, -0.0, 0.74886808], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 4.840370032579497]}, {"abc": [0.5, -0.0, 0.00458041], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.620122115, 0.0, 0.029605854346105197]}, {"abc": [0.5, -0.0, 0.50458041], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.620122115, 0.0, 3.261396714346105]}, {"abc": [0.74968313, 0.25031687, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [6.92725521631084, 2.3129890136891604, 0.0]}, {"abc": [0.25031687, 0.25031687, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.3129890136891604, 2.3129890136891604, 0.0]}, {"abc": [0.0, 0.26750229, 0.74707321], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 2.4717864916842864, 4.828768743657721]}, {"abc": [0.76750229, 0.5, 0.24707321], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.091908606684287, 4.620122115, 1.596977883657721]}, {"abc": [0.23249771, 0.5, 0.24707321], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.148335623315713, 4.620122115, 1.596977883657721]}, {"abc": [0.0, 0.73249771, 0.74707321], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.768457738315713, 4.828768743657721]}, {"abc": [0.5, 0.76750229, 0.75292679], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.620122115, 7.091908606684287, 4.8666038363422786]}, {"abc": [0.26750229, -0.0, 0.25292679], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.4717864916842864, 0.0, 1.6348129763422787]}, {"abc": [0.73249771, -0.0, 0.25292679], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.768457738315713, 0.0, 1.6348129763422787]}, {"abc": [0.5, 0.23249771, 0.75292679], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.620122115, 2.148335623315713, 4.8666038363422786]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4c 2c", "number": 132, "point_group": "4/mmm", "symbol": "P4_2/mcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.32228236\n_cell_length_b   4.27031736\n_cell_length_c   4.26346603\n_cell_angle_alpha   59.96033062\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O\n_chemical_formula_sum   'K4 O2'\n_cell_volume   131.16630839\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.87299184  0.00204067  -0.00285632  1.0\n  K  K1  1  0.62405215  0.33538879  0.33157556  1.0\n  K  K2  1  0.12405215  0.66461121  0.66842444  1.0\n  K  K3  1  0.37299184  0.99795933  0.00285632  1.0\n  O  O4  1  0.25295601  0.33173714  0.33633285  1.0\n  O  O5  1  0.75295601  0.66826286  0.66366715  1.0\n", "composition": {"K": 4.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "K2O", "identifiers": {"materials_project_id": "mp-1975124"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.2661, "density": 2.3850048089074574, "energy_above_hull": 0.06628443500000003, "formation_energy_per_atom": -1.1131218370833338, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 131.16630838798238}, "record_id": "mp-1975124", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.32228236, "alpha": 59.960330623147826, "b": 4.270317364927511, "beta": 90.0, "c": 4.263466025142939, "gamma": 90.0, "matrix": [[8.32228236, 0.0, 0.0], [0.0, 4.26310848, 0.24802517], [0.0, 1.91632021, 3.80852457]], "pbc": [true, true, true], "volume": 131.16630838798235}, "properties": {}, "sites": [{"abc": [0.87299184, 0.00204067, -0.00285632], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [7.265284590455943, 0.0032259738396544, -0.010372227376118499]}, {"abc": [0.62405215, 0.33538879, 0.33157556], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [5.193538199665075, 2.0652037415160067, 1.3459985287273535]}, {"abc": [0.12405215, 0.66461121, 0.66842444], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.032397019665074, 4.114224948483993, 2.7105512112726466]}, {"abc": [0.37299184, 0.99795933, 0.00285632], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.1041434104559427, 4.259882506160345, 0.2583973973761185]}, {"abc": [0.25295601, 0.33173714, 0.33633285], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.105171339878984, 2.0587528524068457, 1.3632110834669384]}, {"abc": [0.75295601, 0.66826286, 0.66366715], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.266312519878984, 4.120675837593154, 2.6933386565330615]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.82932164\n_cell_length_b   4.82932227\n_cell_length_c   6.45041428\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   92.31366155\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O2\n_chemical_formula_sum   'K4 O4'\n_cell_volume   150.31618493\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.90919476  0.59080524  0.75000000  1.0\n  K  K1  1  0.59080524  0.90919476  0.25000000  1.0\n  K  K2  1  0.09080524  0.40919476  0.25000000  1.0\n  K  K3  1  0.40919476  0.09080524  0.75000000  1.0\n  O  O4  1  0.58793539  0.41206461  0.43077975  1.0\n  O  O5  1  0.91206461  0.08793539  0.93077975  1.0\n  O  O6  1  0.41206461  0.58793539  0.56922025  1.0\n  O  O7  1  0.08793539  0.91206461  0.06922025  1.0\n", "composition": {"K": 4.0, "O": 4.0}, "description": "", "elements": ["K", "O"], "formula": "K2O2", "identifiers": {"materials_project_id": "mp-2672"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.3575, "density": 2.4346515579614696, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.284958853625, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 150.3161849315957}, "record_id": "mp-2672", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.829321643732154, "alpha": 90.0, "b": 4.829322266381286, "beta": 90.0, "c": 6.45041428, "gamma": 92.31366155128892, "matrix": [[4.82931905, -0.00500519, 0.0], [-0.18995871, 4.82558486, -0.0], [-0.0, 0.0, 6.45041428]], "pbc": [true, true, true], "volume": 150.3161849315957}, "properties": {}, "sites": [{"abc": [0.90919476, 0.59080524, 0.75], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.278562973376538, 2.8464301288318623, 4.83781071]}, {"abc": [0.59080524, 0.90919476, 0.25], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.6804775366234623, 4.384439376168139, 1.61260357]}, {"abc": [0.09080524, 0.40919476, 0.25], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.36079736662346235, 1.974149541168138, 1.61260357]}, {"abc": [0.40919476, 0.09080524, 0.75], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.9588828033765373, 0.436140293831862, 4.83781071]}, {"abc": [0.58793539, 0.41206461, 0.43077975], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.7610523173439256, 1.9855100150231306, 2.7787078509348304]}, {"abc": [0.91206461, 0.08793539, 0.93077975], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.387946902656073, 0.4197746299768695, 6.00391499093483]}, {"abc": [0.41206461, 0.58793539, 0.56922025], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8783080226560733, 2.8350696549768695, 3.67170642906517]}, {"abc": [0.08793539, 0.91206461, 0.06922025], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.25141343734392635, 4.400805040023131, 0.44649928906517]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2ac 2", "number": 64, "point_group": "mmm", "symbol": "Cmce", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.01496427\n_cell_length_b   7.01496301\n_cell_length_c   5.05309311\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000118\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O2\n_chemical_formula_sum   'K6 O6'\n_cell_volume   215.34697516\n_cell_formula_units_Z   3\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  -0.00000000  0.70662751  0.50000000  1.0\n  K  K1  1  0.29337249  0.29337249  0.50000000  1.0\n  K  K2  1  0.70662751  0.00000000  0.50000000  1.0\n  K  K3  1  -0.00000000  0.36821914  -0.00000000  1.0\n  K  K4  1  0.63178086  0.63178086  -0.00000000  1.0\n  K  K5  1  0.36821914  0.00000000  -0.00000000  1.0\n  O  O6  1  0.66666700  0.33333300  0.34814418  1.0\n  O  O7  1  0.66666700  0.33333300  0.65185582  1.0\n  O  O8  1  0.33333300  0.66666700  0.65185582  1.0\n  O  O9  1  0.33333300  0.66666700  0.34814418  1.0\n  O  O10  1  0.00000000  -0.00000000  0.85003285  1.0\n  O  O11  1  0.00000000  -0.00000000  0.14996715  1.0\n", "composition": {"K": 6.0, "O": 6.0}, "description": "", "elements": ["K", "O"], "formula": "K2O2", "identifiers": {"materials_project_id": "mp-998917"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.0833999999999997, "density": 2.5491479521912623, "energy_above_hull": 0.025785213750000757, "formation_energy_per_atom": -1.259173639874999, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 215.34697516239459}, "record_id": "mp-998917", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.01496427, "alpha": 90.0, "b": 7.014963009047921, "beta": 90.0, "c": 5.05309311, "gamma": 120.00000118338869, "matrix": [[7.01496427, 0.0, -0.0], [-3.50748163, 6.0751361, 0.0], [-0.0, -0.0, 5.05309311]], "pbc": [true, true, true], "volume": 215.34697516239459}, "properties": {}, "sites": [{"abc": [-0.0, 0.70662751, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-2.478483010577641, 4.292858295254111, 2.526546555]}, {"abc": [0.29337249, 0.29337249, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.0289989157285737, 1.782277804745889, 2.526546555]}, {"abc": [0.70662751, 0.0, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.956966734849068, 0.0, 2.526546555]}, {"abc": [-0.0, 0.36821914, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [-1.2915218693643982, 2.236981390124954, 0.0]}, {"abc": [0.63178086, 0.63178086, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.21596039873427, 3.838154709875046, 0.0]}, {"abc": [0.36821914, 0.0, -0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [2.583044110630128, 0.0, 0.0]}, {"abc": [0.666667, 0.333333, 0.34814418], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.5074858108153, 2.0250433416213, 1.7592049572445998]}, {"abc": [0.666667, 0.333333, 0.65185582], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.5074858108153, 2.0250433416213, 3.2938881527554]}, {"abc": [0.333333, 0.666667, 0.65185582], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.1708153001019923e-06, 4.0500927583787, 3.2938881527554]}, {"abc": [0.333333, 0.666667, 0.34814418], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.1708153001019923e-06, 4.0500927583787, 1.7592049572445998]}, {"abc": [0.0, -0.0, 0.85003285], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 4.295295137608663]}, {"abc": [0.0, -0.0, 0.14996715], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.7577979723913364]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P -6 -2", "number": 189, "point_group": "-6m2", "symbol": "P-62m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_K2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.28628690\n_cell_length_b   5.28628690\n_cell_length_c   4.02898900\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   138.06446852\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   K2O2\n_chemical_formula_sum   'K2 O2'\n_cell_volume   75.24282751\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.12994500  0.87005500  0.25000000  1.0\n  K  K1  1  0.87005500  0.12994500  0.75000000  1.0\n  O  O2  1  0.41961000  0.58039000  0.25000000  1.0\n  O  O3  1  0.58039000  0.41961000  0.75000000  1.0\n", "composition": {"K": 2.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "K2O2", "identifiers": {"materials_project_id": "mp-1097008"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.4319097643345216, "energy_above_hull": 0.26837447250000057, "formation_energy_per_atom": -1.0165843811249995, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 2.0000074, "volume": 75.24282750899658}, "record_id": "mp-1097008", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.286286904567515, "alpha": 90.0, "b": 5.286286904567515, "beta": 90.0, "c": 4.028989, "gamma": 138.06446851814755, "matrix": [[1.891659, -4.936239, 0.0], [1.891659, 4.936239, 0.0], [0.0, 0.0, 4.028989]], "pbc": [true, true, true], "volume": 75.24282750899658}, "properties": {}, "sites": [{"abc": [0.129945, 0.870055, 0.25], "label": "K", "properties": {"magmom": 0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.8916590000000002, 3.6533598462900003, 1.00724725]}, {"abc": [0.870055, 0.129945, 0.75], "label": "K", "properties": {"magmom": 0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.8916590000000002, -3.6533598462900003, 3.0217417500000003]}, {"abc": [0.41961, 0.58039, 0.25], "label": "O", "properties": {"magmom": 0.808}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8916589999999998, 0.7936485064199998, 1.00724725]}, {"abc": [0.58039, 0.41961, 0.75], "label": "O", "properties": {"magmom": 0.808}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8916589999999998, -0.7936485064199998, 3.0217417500000003]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.85477970\n_cell_length_b   3.85478035\n_cell_length_c   4.28952818\n_cell_angle_alpha   116.70032555\n_cell_angle_beta   116.70034058\n_cell_angle_gamma   90.00000704\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO2\n_chemical_formula_sum   'K1 O2'\n_cell_volume   49.21645787\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O1  1  0.60144881  0.60144881  0.20289661  1.0\n  O  O2  1  0.39855119  0.39855119  0.79710339  1.0\n", "composition": {"K": 1.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-1866"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.3987811669976504, "energy_above_hull": 0.017246897500000635, "formation_energy_per_atom": -0.980193509083333, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 1.0, "volume": 49.216457866674475}, "record_id": "mp-1866", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.8547797042609, "alpha": 116.70032555224253, "b": 3.854780354041101, "beta": 116.70034057695868, "c": 4.289528180753824, "gamma": 90.00000704411926, "matrix": [[3.42593263, -0.0, -1.76700656], [-0.91137636, 3.30248581, -1.76700656], [0.0434635, 0.05708344, 4.28892812]], "pbc": [true, true, true], "volume": 49.216457866674475}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.60144881, 0.60144881, 0.20289661], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.521195473078274, 1.9978581969295244, -1.2553190094667137]}, {"abc": [0.39855119, 0.39855119, 0.79710339], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0368242969217263, 1.3617110530704752, 2.0102340094667137]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-I 4 2", "number": 139, "point_group": "4/mmm", "symbol": "I4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.07113792\n_cell_length_b   5.15895653\n_cell_length_c   6.26445138\n_cell_angle_alpha   81.54955038\n_cell_angle_beta   71.03807154\n_cell_angle_gamma   66.76085713\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO2\n_chemical_formula_sum   'K2 O4'\n_cell_volume   114.30920260\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.50000000  0.50000000  0.50000000  1.0\n  K  K1  1  -0.00000000  -0.00000000  0.00000000  1.0\n  O  O2  1  0.08683498  0.04975500  0.54961219  1.0\n  O  O3  1  0.18620217  0.45024500  0.95038781  1.0\n  O  O4  1  0.81379783  0.54975500  0.04961219  1.0\n  O  O5  1  0.91316502  0.95024500  0.45038781  1.0\n", "composition": {"K": 2.0, "O": 4.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-21325"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.1547, "density": 2.0656169328049705, "energy_above_hull": 0.056030107499999815, "formation_energy_per_atom": -0.9414102990833335, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 1.9999519, "volume": 114.30920260379077}, "record_id": "mp-21325", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.071137922205445, "alpha": 81.54955038473183, "b": 5.158956533608321, "beta": 71.0380715386062, "c": 6.264451384410797, "gamma": 66.76085713280229, "matrix": [[3.89847003, -1e-08, 1.17307093], [1.92077197, 4.73936046, 0.68112406], [0.24212881, 0.004328, 6.25976885]], "pbc": [true, true, true], "volume": 114.30920260379078}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.030685405, 2.3718442250000003, 4.05698192]}, {"abc": [-0.0, -0.0, 0.0], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.08683498, 0.049755, 0.54961219], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5671685219791933, 0.2381856003772702, 3.576198184892713]}, {"abc": [0.18620217, 0.450245, 0.95038781], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8208378243724213, 2.1379866268923586, 6.4743090635823375]}, {"abc": [0.81379783, 0.549755, 0.04961219], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.2405329856275795, 2.605701823107642, 1.6396547764176634]}, {"abc": [0.91316502, 0.950245, 0.45038781], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.494202288020807, 4.50550284962273, 4.537765655107288]}], "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_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.37765200\n_cell_length_b   5.55061500\n_cell_length_c   7.90991972\n_cell_angle_alpha   73.53435980\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO2\n_chemical_formula_sum   'K4 O8'\n_cell_volume   226.42266703\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  K  K0  1  0.74262500  0.70562000  0.55661200  1.0\n  K  K1  1  0.24262500  0.79438000  0.94338800  1.0\n  K  K2  1  0.25737500  0.29438000  0.44338800  1.0\n  K  K3  1  0.75737500  0.20562000  0.05661200  1.0\n  O  O4  1  0.24677500  0.65572000  0.61713400  1.0\n  O  O5  1  0.74677500  0.84428000  0.88286600  1.0\n  O  O6  1  0.75322500  0.34428000  0.38286600  1.0\n  O  O7  1  0.25322500  0.15572000  0.11713400  1.0\n  O  O8  1  0.71701700  0.04990300  0.74127300  1.0\n  O  O9  1  0.21701700  0.45009700  0.75872700  1.0\n  O  O10  1  0.28298300  0.95009700  0.25872700  1.0\n  O  O11  1  0.78298300  0.54990300  0.24127300  1.0\n", "composition": {"K": 4.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-734250"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.0856482928083317, "energy_above_hull": 0.09267376666666749, "formation_energy_per_atom": -0.9047666399166658, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 3.9998219, "volume": 226.42266703163955}, "record_id": "mp-734250", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.377652, "alpha": 73.53435979949647, "b": 5.550615, "beta": 90.0, "c": 7.9099197248890585, "gamma": 90.0, "matrix": [[5.377652, 0.0, 0.0], [0.0, 5.550615, 0.0], [0.0, 2.24199, 7.585533]], "pbc": [true, true, true], "volume": 226.42266703163955}, "properties": {}, "sites": [{"abc": [0.742625, 0.70562, 0.556612], "label": "K", "properties": {"magmom": 0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.9935788165000004, 5.16454349418, 4.222198694196]}, {"abc": [0.242625, 0.79438, 0.943388], "label": "K", "properties": {"magmom": 0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.3047528165000002, 6.524364005819999, 7.156100805804]}, {"abc": [0.257375, 0.29438, 0.443388], "label": "K", "properties": {"magmom": 0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.3840731835000002, 2.62806150582, 3.363334305804]}, {"abc": [0.757375, 0.20562, 0.056612], "label": "K", "properties": {"magmom": 0.001}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.072899183500001, 1.26824099418, 0.42943219419600004]}, {"abc": [0.246775, 0.65572, 0.617134], "label": "O", "properties": {"magmom": 0.377}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3270700723, 5.023257524459999, 4.681290322422]}, {"abc": [0.746775, 0.84428, 0.882866], "label": "O", "properties": {"magmom": 0.376}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.0158960723, 6.665649975539999, 6.697009177578]}, {"abc": [0.753225, 0.34428, 0.382866], "label": "O", "properties": {"magmom": 0.377}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.050581927700001, 2.7693474755399996, 2.904242677578]}, {"abc": [0.253225, 0.15572, 0.117134], "label": "O", "properties": {"magmom": 0.376}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3617559277, 1.12695502446, 0.888523822422]}, {"abc": [0.717017, 0.049903, 0.741273], "label": "O", "properties": {"magmom": 0.439}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8558679040840005, 1.9389189936149998, 5.622950803508999]}, {"abc": [0.217017, 0.450097, 0.758727], "label": "O", "properties": {"magmom": 0.44}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.167041904084, 4.199373506385, 5.755348696491001]}, {"abc": [0.282983, 0.950097, 0.258727], "label": "O", "properties": {"magmom": 0.439}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.521784095916, 5.853686006385, 1.9625821964909997]}, {"abc": [0.782983, 0.549903, 0.241273], "label": "O", "properties": {"magmom": 0.44}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.210610095916, 3.593231493615, 1.830184303509]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-P 2ybc", "number": 14, "point_group": "2/m", "symbol": "P2_1/c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.20376100\n_cell_length_b   6.20376100\n_cell_length_c   6.20376100\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   KO2\n_chemical_formula_sum   'K4 O8'\n_cell_volume   238.76198167\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  K  K0  1  0.00000000  0.50000000  0.50000000  1.0\n  K  K1  1  0.50000000  0.50000000  0.00000000  1.0\n  K  K2  1  0.50000000  0.00000000  0.50000000  1.0\n  K  K3  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O4  1  0.43699300  0.06300700  0.93699300  1.0\n  O  O5  1  0.06300700  0.93699300  0.43699300  1.0\n  O  O6  1  0.93699300  0.43699300  0.06300700  1.0\n  O  O7  1  0.56300700  0.56300700  0.56300700  1.0\n  O  O8  1  0.43699300  0.43699300  0.43699300  1.0\n  O  O9  1  0.06300700  0.56300700  0.93699300  1.0\n  O  O10  1  0.93699300  0.06300700  0.56300700  1.0\n  O  O11  1  0.56300700  0.93699300  0.06300700  1.0\n", "composition": {"K": 4.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-998916"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.9778611554476708, "energy_above_hull": 0.06235596500000096, "formation_energy_per_atom": -0.9350844415833327, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 3.9999207, "volume": 238.76198167245042}, "record_id": "mp-998916", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.203761, "alpha": 90.0, "b": 6.203761, "beta": 90.0, "c": 6.203761, "gamma": 90.0, "matrix": [[6.203761, 0.0, 0.0], [0.0, 6.203761, 0.0], [0.0, 0.0, 6.203761]], "pbc": [true, true, true], "volume": 238.76198167245042}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.5], "label": "K", "properties": {"magmom": 0.007}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 3.1018805, 3.1018805]}, {"abc": [0.5, 0.5, 0.0], "label": "K", "properties": {"magmom": 0.007}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.1018805, 3.1018805, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "K", "properties": {"magmom": 0.007}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.1018805, 0.0, 3.1018805]}, {"abc": [0.0, 0.0, 0.0], "label": "K", "properties": {"magmom": 0.007}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.436993, 0.063007, 0.936993], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.7110001306730003, 0.390880369327, 5.812880630673]}, {"abc": [0.063007, 0.936993, 0.436993], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.390880369327, 5.812880630673, 2.7110001306730003]}, {"abc": [0.936993, 0.436993, 0.063007], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.812880630673, 2.7110001306730003, 0.390880369327]}, {"abc": [0.563007, 0.563007, 0.563007], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.4927608693270003, 3.4927608693270003, 3.4927608693270003]}, {"abc": [0.436993, 0.436993, 0.436993], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.7110001306730003, 2.7110001306730003, 2.7110001306730003]}, {"abc": [0.063007, 0.563007, 0.936993], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.390880369327, 3.4927608693270003, 5.812880630673]}, {"abc": [0.936993, 0.063007, 0.563007], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.812880630673, 0.390880369327, 3.4927608693270003]}, {"abc": [0.563007, 0.936993, 0.063007], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.4927608693270003, 5.812880630673, 0.390880369327]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 2ac 2ab 3", "number": 205, "point_group": "m-3", "symbol": "Pa-3", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.32595800\n_cell_length_b   7.35237420\n_cell_length_c   11.34631870\n_cell_angle_alpha   99.96360619\n_cell_angle_beta   71.16559167\n_cell_angle_gamma   60.11878051\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO2\n_chemical_formula_sum   'K2 O4'\n_cell_volume   458.14875165\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.50000000  0.50000000  0.50000000  1.0\n  K  K1  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O2  1  0.24310800  0.65441600  0.76357900  1.0\n  O  O3  1  0.16110300  0.84558400  0.73642100  1.0\n  O  O4  1  0.75689200  0.34558400  0.23642100  1.0\n  O  O5  1  0.83889700  0.15441600  0.26357900  1.0\n", "composition": {"K": 2.0, "O": 4.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-1071539"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.4971000000000001, "density": 0.5153763349175398, "energy_above_hull": 0.2172285675000012, "formation_energy_per_atom": -0.7802118390833327, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 1.9997503, "volume": 458.14875165271854}, "record_id": "mp-1071539", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.325958, "alpha": 99.96360619179, "b": 7.35237419807092, "beta": 71.16559167011806, "c": 11.346318698349787, "gamma": 60.11878051332996, "matrix": [[0.0, 7.325958, 0.0], [-6.050413, 3.662979, 2.008107], [7.236585, 3.662979, 7.934316]], "pbc": [true, true, true], "volume": 458.14875165271854}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "K", "properties": {"magmom": -0.003}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.593086, 7.325958, 4.9712115]}, {"abc": [0.0, 0.0, 0.0], "label": "K", "properties": {"magmom": -0.003}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.243108, 0.654416, 0.763579], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5662172639070002, 6.975084904569, 7.372614427476]}, {"abc": [0.161103, 0.845584, 0.736421], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.21304073609299934, 6.975084904569, 7.541020072524]}, {"abc": [0.756892, 0.345584, 0.236421], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.380045263907, 7.676831095431, 2.569808572524]}, {"abc": [0.838897, 0.154416, 0.263579], "label": "O", "properties": {"magmom": 0.402}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.973131263907, 7.676831095431, 2.401402927476]}], "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_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.67314000\n_cell_length_b   5.51347100\n_cell_length_c   8.22318388\n_cell_angle_alpha   54.14013063\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO2\n_chemical_formula_sum   'K4 O8'\n_cell_volume   208.45675479\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  K  K0  1  0.75229000  0.74215600  0.55043400  1.0\n  K  K1  1  0.25229000  0.25784400  0.94956600  1.0\n  K  K2  1  0.24771000  0.25784400  0.44956600  1.0\n  K  K3  1  0.74771000  0.74215600  0.05043400  1.0\n  O  O4  1  0.25376400  0.66440600  0.54802200  1.0\n  O  O5  1  0.75376400  0.33559400  0.95197800  1.0\n  O  O6  1  0.74623600  0.33559400  0.45197800  1.0\n  O  O7  1  0.24623600  0.66440600  0.04802200  1.0\n  O  O8  1  0.69050700  0.16548000  0.65013100  1.0\n  O  O9  1  0.19050700  0.83452000  0.84986900  1.0\n  O  O10  1  0.30949300  0.83452000  0.34986900  1.0\n  O  O11  1  0.80949300  0.16548000  0.15013100  1.0\n", "composition": {"K": 4.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-1180711"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.265400559582304, "energy_above_hull": 0.0380292733333345, "formation_energy_per_atom": -0.9594111332499994, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 4.0000633, "volume": 208.45675478897203}, "record_id": "mp-1180711", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.67314, "alpha": 54.140130627765124, "b": 5.513471, "beta": 90.0, "c": 8.223183875468795, "gamma": 90.0, "matrix": [[5.67314, 0.0, 0.0], [0.0, 5.513471, 0.0], [0.0, 4.817181, 6.664497]], "pbc": [true, true, true], "volume": 208.45675478897203}, "properties": {}, "sites": [{"abc": [0.75229, 0.742156, 0.550434], "label": "K", "properties": {"magmom": -0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.2678464906, 6.74339579003, 3.668365741698]}, {"abc": [0.25229, 0.257844, 0.949566], "label": "K", "properties": {"magmom": -0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.4312764906000002, 5.99584670997, 6.328379758302]}, {"abc": [0.24771, 0.257844, 0.449566], "label": "K", "properties": {"magmom": -0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.4052935094, 3.5872562099699996, 2.996131258302]}, {"abc": [0.74771, 0.742156, 0.050434], "label": "K", "properties": {"magmom": -0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.2418635094, 4.33480529003, 0.336117241698]}, {"abc": [0.253764, 0.664406, 0.548022], "label": "O", "properties": {"magmom": 0.388}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4396386989599999, 6.303104379208, 3.652290974934]}, {"abc": [0.753764, 0.335594, 0.951978], "label": "O", "properties": {"magmom": 0.388}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.27620869896, 6.436138120792, 6.344454525066]}, {"abc": [0.746236, 0.335594, 0.451978], "label": "O", "properties": {"magmom": 0.388}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.23350130104, 4.027547620791999, 3.012206025066]}, {"abc": [0.246236, 0.664406, 0.048022], "label": "O", "properties": {"magmom": 0.388}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3969313010400002, 3.8945138792080005, 0.320042474934]}, {"abc": [0.690507, 0.16548, 0.650131], "label": "O", "properties": {"magmom": 0.444}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.91734288198, 4.044167881791, 4.332796099107]}, {"abc": [0.190507, 0.83452, 0.849869], "label": "O", "properties": {"magmom": 0.444}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.08077288198, 8.695074618208999, 5.663949400893]}, {"abc": [0.309493, 0.83452, 0.349869], "label": "O", "properties": {"magmom": 0.444}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.75579711802, 6.286484118209, 2.331700900893]}, {"abc": [0.809493, 0.16548, 0.150131], "label": "O", "properties": {"magmom": 0.444}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.59236711802, 1.6355773817909998, 1.0005475991069999]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-P 2ybc", "number": 14, "point_group": "2/m", "symbol": "P2_1/c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.57197600\n_cell_length_b   4.64903800\n_cell_length_c   8.08928580\n_cell_angle_alpha   79.49557158\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO2\n_chemical_formula_sum   'K4 O8'\n_cell_volume   206.03566935\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  K  K0  1  0.75898300  0.75026400  0.57360200  1.0\n  K  K1  1  0.25898300  0.24973600  0.92639800  1.0\n  K  K2  1  0.24101700  0.24973600  0.42639800  1.0\n  K  K3  1  0.74101700  0.75026400  0.07360200  1.0\n  O  O4  1  0.26422300  0.65478900  0.62229400  1.0\n  O  O5  1  0.76422300  0.34521100  0.87770600  1.0\n  O  O6  1  0.73577700  0.34521100  0.37770600  1.0\n  O  O7  1  0.23577700  0.65478900  0.12229400  1.0\n  O  O8  1  0.79002900  0.17821300  0.75838200  1.0\n  O  O9  1  0.29002900  0.82178700  0.74161800  1.0\n  O  O10  1  0.20997100  0.82178700  0.24161800  1.0\n  O  O11  1  0.70997100  0.17821300  0.25838200  1.0\n", "composition": {"K": 4.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-1180742"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.292020844942108, "energy_above_hull": 0.04412439083333375, "formation_energy_per_atom": -0.9533160157499996, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 4.0003976, "volume": 206.0356693481888}, "record_id": "mp-1180742", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.571976, "alpha": 79.49557157907141, "b": 4.649038, "beta": 90.0, "c": 8.08928580046199, "gamma": 90.0, "matrix": [[5.571976, 0.0, 0.0], [0.0, 4.649038, 0.0], [0.0, 1.47477, 7.953716]], "pbc": [true, true, true], "volume": 206.0356693481888}, "properties": {}, "sites": [{"abc": [0.758983, 0.750264, 0.573602], "label": "K", "properties": {"magmom": -0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.229035060408, 4.3339368675720005, 4.562267405031999]}, {"abc": [0.258983, 0.249736, 0.926398], "label": "K", "properties": {"magmom": -0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.4430470604080001, 2.527256132428, 7.368306594968001]}, {"abc": [0.241017, 0.249736, 0.426398], "label": "K", "properties": {"magmom": -0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.342940939592, 1.789871132428, 3.391448594968]}, {"abc": [0.741017, 0.750264, 0.073602], "label": "K", "properties": {"magmom": -0.002}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.128928939592001, 3.5965518675720003, 0.585409405032]}, {"abc": [0.264223, 0.654789, 0.622294], "label": "O", "properties": {"magmom": 0.384}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.472244214648, 3.9618794653619998, 4.949549744504]}, {"abc": [0.764223, 0.345211, 0.877706], "label": "O", "properties": {"magmom": 0.384}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.258232214648, 2.899313534638, 6.981024255496]}, {"abc": [0.735777, 0.345211, 0.377706], "label": "O", "properties": {"magmom": 0.384}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.099731785352001, 2.161928534638, 3.004166255496]}, {"abc": [0.235777, 0.654789, 0.122294], "label": "O", "properties": {"magmom": 0.384}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.313743785352, 3.224494465362, 0.972691744504]}, {"abc": [0.790029, 0.178213, 0.758382], "label": "O", "properties": {"magmom": 0.449}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.402022627304, 1.946958031234, 6.031955047512]}, {"abc": [0.290029, 0.821787, 0.741618], "label": "O", "properties": {"magmom": 0.449}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.616034627304, 4.914234968766, 5.898618952488]}, {"abc": [0.209971, 0.821787, 0.241618], "label": "O", "properties": {"magmom": 0.449}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.169953372696, 4.176849968766001, 1.921760952488]}, {"abc": [0.709971, 0.178213, 0.258382], "label": "O", "properties": {"magmom": 0.449}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.9559413726960004, 1.209573031234, 2.055097047512]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-P 2ybc", "number": 14, "point_group": "2/m", "symbol": "P2_1/c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.87108800\n_cell_length_b   3.87108800\n_cell_length_c   5.43343100\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   KO2\n_chemical_formula_sum   'K1 O2'\n_cell_volume   81.42171475\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.00000000  0.00000000  0.50000000  1.0\n  O  O1  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O2  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"K": 1.0, "O": 2.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-1223320"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.4499757540010385, "energy_above_hull": 1.0067627875000005, "formation_energy_per_atom": 0.009322380916666853, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 3.0006034, "volume": 81.42171475015405}, "record_id": "mp-1223320", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.871088, "alpha": 90.0, "b": 3.871088, "beta": 90.0, "c": 5.433431, "gamma": 90.0, "matrix": [[3.871088, 0.0, 0.0], [0.0, 3.871088, 0.0], [0.0, 0.0, 5.433431]], "pbc": [true, true, true], "volume": 81.42171475015405}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.5], "label": "K", "properties": {"magmom": -0.003}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 2.7167155]}, {"abc": [0.5, 0.5, 0.5], "label": "O", "properties": {"magmom": 1.045}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.935544, 1.935544, 2.7167155]}, {"abc": [0.0, 0.0, 0.0], "label": "O", "properties": {"magmom": 1.266}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4 2", "number": 123, "point_group": "4/mmm", "symbol": "P4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.33714636\n_cell_length_b   5.48386381\n_cell_length_c   8.66368235\n_cell_angle_alpha   93.57226128\n_cell_angle_beta   101.55648955\n_cell_angle_gamma   93.62397606\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO2\n_chemical_formula_sum   'K4 O8'\n_cell_volume   200.88566885\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  K  K0  1  0.25276739  0.24909676  0.62515517  1.0\n  K  K1  1  0.75004888  0.74892691  0.87588857  1.0\n  K  K2  1  0.74723361  0.75090324  0.37484483  1.0\n  K  K3  1  0.24995112  0.25107309  0.12411143  1.0\n  O  O4  1  0.34840908  0.74931344  0.57592825  1.0\n  O  O5  1  0.65138057  0.24910983  0.92520012  1.0\n  O  O6  1  0.65159092  0.25068656  0.42407175  1.0\n  O  O7  1  0.34861943  0.75089017  0.07479988  1.0\n  O  O8  1  0.85060866  0.24829484  0.82451279  1.0\n  O  O9  1  0.14795889  0.74787718  0.67599470  1.0\n  O  O10  1  0.14939134  0.75170516  0.17548721  1.0\n  O  O11  1  0.85204111  0.25212282  0.32400530  1.0\n", "composition": {"K": 4.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-2035026"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.350780180808049, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.9974404065833333, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 3.9999998, "volume": 200.88566885284993}, "record_id": "mp-2035026", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.337146364473311, "alpha": 93.5722612778283, "b": 5.483863811553234, "beta": 101.55648954586734, "c": 8.663682348511333, "gamma": 93.62397606064975, "matrix": [[4.13633276, -0.13725186, -1.29720924], [-0.22838612, 5.47708435, -0.14882576], [0.87303908, -0.26997454, 8.61535306]], "pbc": [true, true, true], "volume": 200.88566885284993}, "properties": {}, "sites": [{"abc": [0.25276739, 0.24909676, 0.62515517], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.5344246878697687, 1.160855191957489, 5.0209682983351]}, {"abc": [0.75004888, 0.74892691, 0.87588857], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.6960921941421354, 3.762522640406934, 6.461659317615672]}, {"abc": [0.74723361, 0.75090324, 0.37484483], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [3.2465651684629915, 3.909002620790651, 2.1483484644556614]}, {"abc": [0.24995112, 0.25107309, 0.12411143], "label": "K", "properties": {}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.0848935258578647, 1.3073353095930662, 0.7076587423843286]}, {"abc": [0.34840908, 0.74931344, 0.57592825], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.772810971786018, 3.90074715683102, 4.398348590915832]}, {"abc": [0.65138057, 0.24910983, 0.92520012], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.4451694249716036, 1.0252118797188556, 7.0888748310206795]}, {"abc": [0.65159092, 0.25068656, 0.42407175], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.008174748213982, 1.16911079316898, 2.770969469084169]}, {"abc": [0.34861943, 0.75089017, 0.07479988], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3358162950283967, 4.044646070281145, 0.08044322897932044]}, {"abc": [0.85060866, 0.24829484, 0.82451279], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.181525258803914, 1.0205867004282796, 5.963098706692541]}, {"abc": [0.14795889, 0.74787718, 0.6759947], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0313722274363708, 3.8933774072691607, 5.5206959782404805]}, {"abc": [0.14939134, 0.75170516, 0.17548721], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5994604611960861, 4.049271249571721, 1.2062193533074597]}, {"abc": [0.85204111, 0.25212282, 0.3240053], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.749613492563629, 1.1764805427308405, 1.6486220817595183]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-I 2 2", "number": 71, "point_group": "-1", "symbol": "Immm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.48165159\n_cell_length_b   4.30036648\n_cell_length_c   8.75785655\n_cell_angle_alpha   78.23541288\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO2\n_chemical_formula_sum   'K4 O8'\n_cell_volume   202.11315164\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  K  K0  1  0.76758332  0.75607010  0.62436721  1.0\n  K  K1  1  0.26758332  0.24392990  0.87563279  1.0\n  K  K2  1  0.23241668  0.24392990  0.37563279  1.0\n  K  K3  1  0.73241668  0.75607010  0.12436721  1.0\n  O  O4  1  0.26836181  0.63570850  0.57800237  1.0\n  O  O5  1  0.76836181  0.36429150  0.92199763  1.0\n  O  O6  1  0.73163819  0.36429150  0.42199763  1.0\n  O  O7  1  0.23163819  0.63570850  0.07800237  1.0\n  O  O8  1  0.76612893  0.15346549  0.82753647  1.0\n  O  O9  1  0.26612893  0.84653451  0.67246353  1.0\n  O  O10  1  0.23387107  0.84653451  0.17246353  1.0\n  O  O11  1  0.73387107  0.15346549  0.32753647  1.0\n", "composition": {"K": 4.0, "O": 8.0}, "description": "", "elements": ["K", "O"], "formula": "KO2", "identifiers": {"materials_project_id": "mp-3346628"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.17540000000000006, "density": 2.336503315709114, "energy_above_hull": 0.002845150000000629, "formation_energy_per_atom": -0.9945952565833333, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 3.9999669, "volume": 202.1131516367342}, "record_id": "mp-3346628", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.481651592320613, "alpha": 78.2354128766941, "b": 4.300366476871943, "beta": 90.0, "c": 8.757856549439943, "gamma": 90.0, "matrix": [[5.481651592320613, 0.0, 0.0], [0.0, 4.29895385370426, 0.1102161472983696], [0.0, 1.565317382516044, 8.616834269762952]], "pbc": [true, true, true], "volume": 202.11315163673416}, "properties": {}, "sites": [{"abc": [0.7675833229209204, 0.756070097544189, 0.6243672101290869], "label": "K", "properties": {"magmom": -0.004}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.20762434432821, 4.227643306596254, 5.463399906395425]}, {"abc": [0.2675833229209204, 0.243929902455811, 0.8756327898709131], "label": "K", "properties": {"magmom": -0.004}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.4667985481679042, 2.419286620882072, 7.5720676455473725]}, {"abc": [0.2324166770790796, 0.243929902455811, 0.3756327898709131], "label": "K", "properties": {"magmom": -0.004}, "species": [{"element": "K", "occu": 1.0}], "xyz": [1.2740272479924024, 1.63662792962405, 3.2636505106658964]}, {"abc": [0.7324166770790796, 0.756070097544189, 0.1243672101290869], "label": "K", "properties": {"magmom": -0.004}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.0148530441527095, 3.444984615338232, 1.1549827715139491]}, {"abc": [0.2683618149910814, 0.6357084970233942, 0.5780023696819967], "label": "O", "properties": {"magmom": 0.428}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4710659704639113, 3.6376386495099577, 5.05061596842678]}, {"abc": [0.7683618149910814, 0.3642915029766058, 0.9219976303180033], "label": "O", "properties": {"magmom": 0.428}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.211891766624218, 3.0092912779683685, 7.9848515835160185]}, {"abc": [0.7316381850089186, 0.3642915029766058, 0.4219976303180033], "label": "O", "properties": {"magmom": 0.428}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.010585621856702, 2.2266325867103465, 3.6764344486345424]}, {"abc": [0.2316381850089186, 0.6357084970233942, 0.0780023696819967], "label": "O", "properties": {"magmom": 0.428}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2697598256963956, 2.8549799582519357, 0.7421988335453035]}, {"abc": [0.7661289279824075, 0.1534654857153441, 0.8275364740707758], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.199651857997648, 1.9550982687555973, 7.1476590238306805]}, {"abc": [0.2661289279824075, 0.8465345142846559, 0.6724635259292242], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4588260618373419, 4.6918316587227284, 5.887808528112118]}, {"abc": [0.2338710720175925, 0.8465345142846559, 0.1724635259292242], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2819997343229648, 3.9091729674647064, 1.579391393230642]}, {"abc": [0.7338710720175925, 0.1534654857153441, 0.3275364740707758], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.022825530483272, 1.1724395774975755, 2.8392418889492035]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-P 2ybc", "number": 14, "point_group": "2/m", "symbol": "P2_1/c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.21840627\n_cell_length_b   7.21840627\n_cell_length_c   7.21840627\n_cell_angle_alpha   104.53834369\n_cell_angle_beta   104.53834369\n_cell_angle_gamma   119.86408822\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO3\n_chemical_formula_sum   'K4 O12'\n_cell_volume   282.28030867\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  K  K0  1  0.75000000  0.25000000  0.50000000  1.0\n  K  K1  1  0.25000000  0.75000000  0.50000000  1.0\n  K  K2  1  0.25000000  0.25000000  0.00000000  1.0\n  K  K3  1  0.75000000  0.75000000  0.00000000  1.0\n  O  O4  1  0.75067700  0.56634500  0.31702200  1.0\n  O  O5  1  0.43365500  0.75067700  0.18433200  1.0\n  O  O6  1  0.56634500  0.24932300  0.81566800  1.0\n  O  O7  1  0.24932300  0.43365500  0.68297800  1.0\n  O  O8  1  0.21850500  0.28149500  0.50000000  1.0\n  O  O9  1  0.28149500  0.78149500  0.06298900  1.0\n  O  O10  1  0.71850500  0.21850500  0.93701100  1.0\n  O  O11  1  0.78149500  0.71850500  0.50000000  1.0\n  O  O12  1  0.06634500  0.25067700  0.31702200  1.0\n  O  O13  1  0.25067700  0.93365500  0.18433200  1.0\n  O  O14  1  0.74932300  0.06634500  0.81566800  1.0\n  O  O15  1  0.93365500  0.74932300  0.68297800  1.0\n", "composition": {"K": 4.0, "O": 12.0}, "description": "", "elements": ["K", "O"], "formula": "KO3", "identifiers": {"materials_project_id": "mp-1726"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.6496, "density": 2.0494116886614684, "energy_above_hull": 0.09702478062500042, "formation_energy_per_atom": -0.6510555243124996, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 3.9999536, "volume": 282.280308668779}, "record_id": "mp-1726", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.218406266682625, "alpha": 104.53834369474025, "b": 7.218406266682625, "beta": 104.53834369474025, "c": 7.218406266682625, "gamma": 119.86408822150158, "matrix": [[-4.417323, 4.417323, 3.616615], [4.417323, -4.417323, 3.616615], [4.417323, 4.417323, -3.616615]], "pbc": [true, true, true], "volume": 282.280308668779}, "properties": {}, "sites": [{"abc": [0.75, 0.25, 0.5], "label": "K", "properties": {"magmom": 0.005}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 4.417323, 1.8083075]}, {"abc": [0.25, 0.75, 0.5], "label": "K", "properties": {"magmom": 0.005}, "species": [{"element": "K", "occu": 1.0}], "xyz": [4.417323, 0.0, 1.8083075]}, {"abc": [0.25, 0.25, 0.0], "label": "K", "properties": {"magmom": 0.003}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 1.8083075]}, {"abc": [0.75, 0.75, 0.0], "label": "K", "properties": {"magmom": 0.003}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 5.4249225]}, {"abc": [0.750677, 0.566345, 0.317022], "label": "O", "properties": {"magmom": 0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.58613458887, 2.2146425553420004, 3.6166149999999995]}, {"abc": [0.433655, 0.750677, 0.184332], "label": "O", "properties": {"magmom": 0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.214642555342, -0.5861345888700001, 3.616615]}, {"abc": [0.566345, 0.249323, 0.815668], "label": "O", "properties": {"magmom": 0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.2026804446579993, 5.00345758887, 4.440892098500626e-16]}, {"abc": [0.249323, 0.433655, 0.682978], "label": "O", "properties": {"magmom": 0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.83118841113, 2.2026804446579997, 4.440892098500626e-16]}, {"abc": [0.218505, 0.281495, 0.5], "label": "O", "properties": {"magmom": 0.343}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.4869086757699996, 1.93041432423, 0.0]}, {"abc": [0.281495, 0.781495, 0.062989], "label": "O", "properties": {"magmom": 0.343}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.4869042584470002, -1.9304187415530003, 3.6166186166150003]}, {"abc": [0.718505, 0.218505, 0.937011], "label": "O", "properties": {"magmom": 0.343}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.9304187415530003, 6.3477417415529995, -3.6166150003680286e-06]}, {"abc": [0.781495, 0.718505, 0.5], "label": "O", "properties": {"magmom": 0.343}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.9304143242299991, 2.4869086757700005, 3.6166149999999995]}, {"abc": [0.066345, 0.250677, 0.317022], "label": "O", "properties": {"magmom": 0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.214642555342, 0.5861345888700003, -2.220446049250313e-16]}, {"abc": [0.250677, 0.933655, 0.184332], "label": "O", "properties": {"magmom": 0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8311884111300003, -2.202680444658, 3.616615]}, {"abc": [0.749323, 0.066345, 0.815668], "label": "O", "properties": {"magmom": 0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5861345888700003, 6.620003444657999, 0.0]}, {"abc": [0.933655, 0.749323, 0.682978], "label": "O", "properties": {"magmom": 0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.2026804446579993, 3.8311884111300003, 3.616615]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-I 4 2c", "number": 140, "point_group": "4/mmm", "symbol": "I4/mcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_KO3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.81919148\n_cell_length_b   4.81919148\n_cell_length_c   4.81919148\n_cell_angle_alpha   129.01328811\n_cell_angle_beta   104.73967505\n_cell_angle_gamma   96.66544355\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   KO3\n_chemical_formula_sum   'K1 O3'\n_cell_volume   78.21403644\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  K  K0  1  0.48949900  0.48949900  0.00000000  1.0\n  O  O1  1  0.88867600  0.08368000  0.80499600  1.0\n  O  O2  1  0.96754100  0.96754100  0.00000000  1.0\n  O  O3  1  0.27868400  0.08368000  0.19500400  1.0\n", "composition": {"K": 1.0, "O": 3.0}, "description": "", "elements": ["K", "O"], "formula": "KO3", "identifiers": {"materials_project_id": "mp-998913"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.8697000000000001, "density": 1.8491200249340778, "energy_above_hull": 0.09325179687500018, "formation_energy_per_atom": -0.6548285080624998, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.0000194, "volume": 78.2140364421973}, "record_id": "mp-998913", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.819191483959317, "alpha": 129.0132881082372, "b": 4.819191483959317, "beta": 104.73967505463139, "c": 4.819191483959317, "gamma": 96.66544354700217, "matrix": [[-2.074211, 2.942416, 3.203817], [2.074211, -2.942416, 3.203817], [2.074211, 2.942416, -3.203817]], "pbc": [true, true, true], "volume": 78.2140364421973}, "properties": {}, "sites": [{"abc": [0.489499, 0.489499, 0.0], "label": "K", "properties": {"magmom": 0.005}, "species": [{"element": "K", "occu": 1.0}], "xyz": [0.0, 0.0, 3.136530435366]}, {"abc": [0.888676, 0.08368, 0.804996], "label": "O", "properties": {"magmom": 0.236}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.220446049250313e-16, 4.737266220672001, 0.5361908131199997]}, {"abc": [0.967541, 0.967541, 0.0], "label": "O", "properties": {"magmom": 0.336}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 6.199648607994]}, {"abc": [0.278684, 0.08368, 0.195004], "label": "O", "properties": {"magmom": 0.241}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 1.147565779328, 0.5361908131199998]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "I 2 -2", "number": 44, "point_group": "mm2", "symbol": "Imm2", "symprec": 0.1, "version": "2.7.0"}}}