raw/materials_project/materials_project-part-05.jsonl

{"cif": "# generated using pymatgen\ndata_Cs11O3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   9.34977400\n_cell_length_b   17.82712000\n_cell_length_c   24.33323409\n_cell_angle_alpha   79.79990535\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs11O3\n_chemical_formula_sum   'Cs44 O12'\n_cell_volume   3991.75087256\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  Cs  Cs0  1  0.88584400  0.22005400  0.67694000  1.0\n  Cs  Cs1  1  0.19685800  0.93405500  0.43179400  1.0\n  Cs  Cs2  1  0.26318500  0.68406700  0.96894300  1.0\n  Cs  Cs3  1  0.07031200  0.43584200  0.61779000  1.0\n  Cs  Cs4  1  0.32928600  0.84871100  0.65088600  1.0\n  Cs  Cs5  1  0.38584400  0.77994600  0.82306000  1.0\n  Cs  Cs6  1  0.58090900  0.76112900  0.16897000  1.0\n  Cs  Cs7  1  0.60469200  0.83837100  0.45402900  1.0\n  Cs  Cs8  1  0.98072200  0.30325000  0.15909300  1.0\n  Cs  Cs9  1  0.92968800  0.56415800  0.38221000  1.0\n  Cs  Cs10  1  0.89530800  0.83837100  0.95402900  1.0\n  Cs  Cs11  1  0.23681500  0.68406700  0.46894300  1.0\n  Cs  Cs12  1  0.80314200  0.06594500  0.56820600  1.0\n  Cs  Cs13  1  0.76318500  0.31593300  0.53105700  1.0\n  Cs  Cs14  1  0.69685800  0.06594500  0.06820600  1.0\n  Cs  Cs15  1  0.66726200  0.52585000  0.59854200  1.0\n  Cs  Cs16  1  0.10469200  0.16162900  0.04597100  1.0\n  Cs  Cs17  1  0.01927800  0.69675000  0.84090700  1.0\n  Cs  Cs18  1  0.55754300  0.09139300  0.71675200  1.0\n  Cs  Cs19  1  0.11415600  0.77994600  0.32306000  1.0\n  Cs  Cs20  1  0.67071400  0.15128900  0.34911400  1.0\n  Cs  Cs21  1  0.83273800  0.52585000  0.09854200  1.0\n  Cs  Cs22  1  0.30314200  0.93405500  0.93179400  1.0\n  Cs  Cs23  1  0.73681500  0.31593300  0.03105700  1.0\n  Cs  Cs24  1  0.44245700  0.90860700  0.28324800  1.0\n  Cs  Cs25  1  0.39530800  0.16162900  0.54597100  1.0\n  Cs  Cs26  1  0.22018400  0.61997500  0.24342200  1.0\n  Cs  Cs27  1  0.16726200  0.47415000  0.90145800  1.0\n  Cs  Cs28  1  0.41909100  0.23887100  0.83103000  1.0\n  Cs  Cs29  1  0.42968800  0.43584200  0.11779000  1.0\n  Cs  Cs30  1  0.17071400  0.84871100  0.15088600  1.0\n  Cs  Cs31  1  0.61415600  0.22005400  0.17694000  1.0\n  Cs  Cs32  1  0.82928600  0.15128900  0.84911400  1.0\n  Cs  Cs33  1  0.05754300  0.90860700  0.78324800  1.0\n  Cs  Cs34  1  0.77981600  0.38002500  0.75657800  1.0\n  Cs  Cs35  1  0.33273800  0.47415000  0.40145800  1.0\n  Cs  Cs36  1  0.51927800  0.30325000  0.65909300  1.0\n  Cs  Cs37  1  0.48072200  0.69675000  0.34090700  1.0\n  Cs  Cs38  1  0.27981600  0.61997500  0.74342200  1.0\n  Cs  Cs39  1  0.72018400  0.38002500  0.25657800  1.0\n  Cs  Cs40  1  0.57031200  0.56415800  0.88221000  1.0\n  Cs  Cs41  1  0.94245700  0.09139300  0.21675200  1.0\n  Cs  Cs42  1  0.08090900  0.23887100  0.33103000  1.0\n  Cs  Cs43  1  0.91909100  0.76112900  0.66897000  1.0\n  O  O44  1  0.34156200  0.77637800  0.23580400  1.0\n  O  O45  1  0.70466600  0.38333500  0.13461200  1.0\n  O  O46  1  0.14527900  0.82038500  0.89513600  1.0\n  O  O47  1  0.35472100  0.82038500  0.39513600  1.0\n  O  O48  1  0.79533400  0.38333500  0.63461200  1.0\n  O  O49  1  0.29533400  0.61666500  0.86538800  1.0\n  O  O50  1  0.15843800  0.77637800  0.73580400  1.0\n  O  O51  1  0.85472100  0.17961500  0.10486400  1.0\n  O  O52  1  0.65843800  0.22362200  0.76419600  1.0\n  O  O53  1  0.64527900  0.17961500  0.60486400  1.0\n  O  O54  1  0.84156200  0.22362200  0.26419600  1.0\n  O  O55  1  0.20466600  0.61666500  0.36538800  1.0\n", "composition": {"Cs": 44.0, "O": 12.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs11O3", "identifiers": {"materials_project_id": "mp-562001"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.512526072154465, "energy_above_hull": 0.005618911656402492, "formation_energy_per_atom": -0.7818787620504936, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.5000856, "volume": 3991.750872562146}, "record_id": "mp-562001", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 9.349774, "alpha": 79.79990535446079, "b": 17.82712, "beta": 90.0, "c": 24.333234088959095, "gamma": 90.0, "matrix": [[9.349774, 0.0, 0.0], [0.0, 17.82712, 0.0], [0.0, 4.309084, 23.948655]], "pbc": [true, true, true], "volume": 3991.750872562146}, "properties": {}, "sites": [{"abc": [0.885844, 0.220054, 0.67694], "label": "Cs", "properties": {"magmom": 0.001}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.282441199256, 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0.395136], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.316561183054, 16.327776056624, 9.46297574208]}, {"abc": [0.795334, 0.383335, 0.634612], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.436193154516, 9.568355460608, 15.198103846859999]}, {"abc": [0.295334, 0.616665, 0.865388], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.761306154516, 14.722390539392, 20.72487865314]}, {"abc": [0.158438, 0.776378, 0.735804], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.481359493012, 17.011225014896002, 17.62151614362]}, {"abc": [0.854721, 0.179615, 0.104864], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.991448183054, 3.6538859433760003, 2.51135175792]}, {"abc": [0.658438, 0.223622, 0.764196], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.1562464930119996, 7.279520985104, 18.301466356379997]}, {"abc": [0.645279, 0.179615, 0.604864], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.033212816946, 5.8084279433759995, 14.485679257919998]}, {"abc": [0.841562, 0.223622, 0.264196], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.8684145069880005, 5.124978985104, 6.3271388563799995]}, {"abc": [0.204666, 0.616665, 0.365388], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.913580845484, 12.567848539392, 8.75055115314]}], "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_Cs2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.12301787\n_cell_length_b   7.12301717\n_cell_length_c   7.12301844\n_cell_angle_alpha   34.27591701\n_cell_angle_beta   34.27593739\n_cell_angle_gamma   34.27591985\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs2O\n_chemical_formula_sum   'Cs2 O1'\n_cell_volume   102.22237851\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  Cs  Cs0  1  0.25788143  0.25788143  0.25788143  1.0\n  Cs  Cs1  1  0.74211857  0.74211857  0.74211857  1.0\n  O  O2  1  -0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Cs": 2.0, "O": 1.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs2O", "identifiers": {"materials_project_id": "mp-7988"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.5831999999999997, "density": 4.577833408840004, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.1802465447701174, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 102.22237851217304}, "record_id": "mp-7988", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.123017870926066, "alpha": 34.27591700838999, "b": 7.123017166335718, "beta": 34.2759373943704, "c": 7.12301844374294, "gamma": 34.27591985084345, "matrix": [[4.12624015, 0.08657458, 5.80551726], [1.91592628, 3.65548482, 5.80551727], [0.13978601, 0.08657458, 7.12112045]], "pbc": [true, true, true], "volume": 102.22237851217304}, "properties": {}, "sites": [{"abc": [0.25788143, 0.25788143, 0.25788143], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [1.5942107354191895, 0.9873336057089914, 4.830674913224022]}, {"abc": [0.74211857, 0.74211857, 0.74211857], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [4.587741704580811, 2.8413003742910092, 13.901480066775978]}, {"abc": [-0.0, 0.0, 0.0], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-R 3 2\"", "number": 166, "point_group": "-3m", "symbol": "R-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Cs2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.17669473\n_cell_length_b   6.32787821\n_cell_length_c   4.33950415\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   Cs2O\n_chemical_formula_sum   'Cs4 O2'\n_cell_volume   197.07098772\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  Cs  Cs0  1  0.24485079  0.91132605  0.50000000  1.0\n  Cs  Cs1  1  0.25514921  0.41132605  0.00000000  1.0\n  Cs  Cs2  1  0.74485079  0.58867395  -0.00000000  1.0\n  Cs  Cs3  1  0.75514921  0.08867395  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": {"Cs": 4.0, "O": 2.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs2O", "identifiers": {"materials_project_id": "mp-755060"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.26819999999999977, "density": 4.7491213689893135, "energy_above_hull": 0.058331210000000855, "formation_energy_per_atom": -1.1219153347701163, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 197.07098771565097}, "record_id": "mp-755060", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.17669473, "alpha": 90.0, "b": 6.32787821, "beta": 90.0, "c": 4.33950415, "gamma": 90.0, "matrix": [[7.17669473, -0.0, 0.0], [-0.0, 6.32787821, 0.0], [0.0, 0.0, 4.33950415]], "pbc": [true, true, true], "volume": 197.07098771565097}, "properties": {}, "sites": [{"abc": [0.24485079, 0.91132605, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [1.757219374229337, 5.766760254000371, 2.169752075]}, {"abc": [0.25514921, 0.41132605, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [1.8311279907706635, 2.6028211490003703, 0.0]}, {"abc": [0.74485079, 0.58867395, -0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [5.345566739229337, 3.7250570609996294, 0.0]}, {"abc": [0.75514921, 0.08867395, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [5.419475355770664, 0.5611179559996294, 2.169752075]}, {"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": [3.588347365, 3.163939105, 2.169752075]}], "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_Cs2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.04922520\n_cell_length_b   5.38754512\n_cell_length_c   9.73730046\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   Cs2O\n_chemical_formula_sum   'Cs8 O4'\n_cell_volume   369.80338018\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  Cs  Cs0  1  0.00737112  0.25000000  0.13658635  1.0\n  Cs  Cs1  1  0.10278733  0.25000000  0.61331586  1.0\n  Cs  Cs2  1  0.39721267  0.75000000  0.11331686  1.0\n  Cs  Cs3  1  0.49262888  0.75000000  0.63658635  1.0\n  Cs  Cs4  1  0.50737112  0.25000000  0.36341365  1.0\n  Cs  Cs5  1  0.60278733  0.25000000  0.88668414  1.0\n  Cs  Cs6  1  0.89721267  0.75000000  0.38668414  1.0\n  Cs  Cs7  1  0.99262888  0.75000000  0.86341365  1.0\n  O  O8  1  0.29294380  0.75000000  0.39767702  1.0\n  O  O9  1  0.20705620  0.25000000  0.89767702  1.0\n  O  O10  1  0.79294380  0.75000000  0.10232298  1.0\n  O  O11  1  0.70705620  0.25000000  0.60232298  1.0\n", "composition": {"Cs": 8.0, "O": 4.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs2O", "identifiers": {"materials_project_id": "mp-755573"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6506000000000003, "density": 5.061684609268779, "energy_above_hull": 0.05697232416666731, "formation_energy_per_atom": -1.1232742206034498, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 369.80338018469797}, "record_id": "mp-755573", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.0492252, "alpha": 90.0, "b": 5.38754512, "beta": 90.0, "c": 9.73730046, "gamma": 90.0, "matrix": [[7.0492252, 0.0, 0.0], [-0.0, 5.38754512, 0.0], [0.0, 0.0, 9.73730046]], "pbc": [true, true, true], "volume": 369.80338018469797}, "properties": {}, "sites": [{"abc": [0.00737112, 0.25, 0.13658635], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [0.051960684856224, 1.34688628, 1.329982328684721]}, {"abc": [0.10278733, 0.25, 0.61331586], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [0.724571036876716, 1.34688628, 5.972040805703296]}, {"abc": [0.39721267, 0.75, 0.11331686], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.8000415631232842, 4.040658840000001, 1.1034003130037557]}, {"abc": [0.49262888, 0.75, 0.63658635], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [3.4726519151437762, 4.040658840000001, 6.198632558684721]}, {"abc": [0.50737112, 0.25, 0.36341365], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [3.5765732848562237, 1.34688628, 3.5386679013152786]}, {"abc": [0.60278733, 0.25, 0.88668414], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [4.249183636876716, 1.34688628, 8.633909884296704]}, {"abc": [0.89721267, 0.75, 0.38668414], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [6.324654163123284, 4.040658840000001, 3.7652596542967047]}, {"abc": [0.99262888, 0.75, 0.86341365], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [6.997264515143777, 4.040658840000001, 8.407318131315279]}, {"abc": [0.2929438, 0.75, 0.39767702], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.06502681714376, 4.040658840000001, 3.8723006297774294]}, {"abc": [0.2070562, 0.25, 0.89767702], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.45958578285624, 1.34688628, 8.74095085977743]}, {"abc": [0.7929438, 0.75, 0.10232298], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.5896394171437604, 4.040658840000001, 0.9963496002225708]}, {"abc": [0.7070562, 0.25, 0.60232298], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.98419838285624, 1.34688628, 5.864999830222571]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2ac 2n", "number": 62, "point_group": "mmm", "symbol": "Pnma", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Cs2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.33370959\n_cell_length_b   5.41615688\n_cell_length_c   5.41615714\n_cell_angle_alpha   72.92185300\n_cell_angle_beta   66.41727290\n_cell_angle_gamma   66.41730183\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs2O2\n_chemical_formula_sum   'Cs2 O2'\n_cell_volume   105.42063966\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  Cs  Cs0  1  0.74643967  0.25356033  0.25356033  1.0\n  Cs  Cs1  1  0.25356033  0.74643967  0.74643967  1.0\n  O  O2  1  -0.00000000  0.61719680  0.38280320  1.0\n  O  O3  1  0.00000000  0.38280320  0.61719680  1.0\n", "composition": {"Cs": 2.0, "O": 2.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs2O2", "identifiers": {"materials_project_id": "mp-7896"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6571999999999996, "density": 4.690966112965044, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.224223352327586, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 105.42063966239483}, "record_id": "mp-7896", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.33370958994754, "alpha": 72.92185299976755, "b": 5.416156878651859, "beta": 66.41727290017873, "c": 5.416157139532602, "gamma": 66.41730183256082, "matrix": [[3.97120196, -0.0, 1.73510628], [1.67356605, 4.90225465, 1.58171785], [-0.00177823, 0.010417, 5.41614683]], "pbc": [true, true, true], "volume": 105.42063966239483}, "properties": {}, "sites": [{"abc": [0.74643967, 0.25356033, 0.25356033], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [3.3881617518549336, 1.2456586447556444, 3.069533036614272]}, {"abc": [0.25356033, 0.74643967, 0.74643967], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.254828028145066, 3.667013005244355, 5.663437923385728]}, {"abc": [-0.0, 0.6171968, 0.3828032], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.032238898514304, 3.0296435436995197, 3.049549533716736]}, {"abc": [0.0, 0.3828032, 0.6171968], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.639548921485696, 1.88302810630048, 3.9483151462832637]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-I 2 2", "number": 71, "point_group": "mmm", "symbol": "Immm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Cs2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.54831651\n_cell_length_b   6.54831651\n_cell_length_c   4.44976000\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   143.74282351\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs2O2\n_chemical_formula_sum   'Cs2 O2'\n_cell_volume   112.84571093\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  Cs  Cs0  1  0.62506500  0.37493500  0.75000000  1.0\n  Cs  Cs1  1  0.37493500  0.62506500  0.25000000  1.0\n  O  O2  1  0.88317900  0.11682100  0.75000000  1.0\n  O  O3  1  0.11682100  0.88317900  0.25000000  1.0\n", "composition": {"Cs": 2.0, "O": 2.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs2O2", "identifiers": {"materials_project_id": "mp-1063779"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.3823078800835, "energy_above_hull": 0.34957021999999904, "formation_energy_per_atom": -0.874653132327587, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 1.9999998, "volume": 112.84571093484426}, "record_id": "mp-1063779", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.548316512342161, "alpha": 90.0, "b": 6.548316512342161, "beta": 90.0, "c": 4.44976, "gamma": 143.74282351456262, "matrix": [[2.037513, -6.223262, 0.0], [2.037513, 6.223262, 0.0], [0.0, 0.0, 4.44976]], "pbc": [true, true, true], "volume": 112.84571093484426}, "properties": {}, "sites": [{"abc": [0.625065, 0.374935, 0.75], "label": "Cs", "properties": {"magmom": 0.036}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.037513, -1.55662452406, 3.33732]}, {"abc": [0.374935, 0.625065, 0.25], "label": "Cs", "properties": {"magmom": 0.036}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.037513, 1.55662452406, 1.11244]}, {"abc": [0.883179, 0.116821, 0.75], "label": "O", "properties": {"magmom": 0.749}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.037513, -4.769246619796, 3.33732]}, {"abc": [0.116821, 0.883179, 0.25], "label": "O", "properties": {"magmom": 0.749}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.037513, 4.769246619796, 1.11244]}], "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_Cs2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.28472485\n_cell_length_b   4.28472485\n_cell_length_c   4.28472485\n_cell_angle_alpha   60.00000000\n_cell_angle_beta   60.00000000\n_cell_angle_gamma   60.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs2O2\n_chemical_formula_sum   'Cs1 O1'\n_cell_volume   55.62292440\n_cell_formula_units_Z   0\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  Cs  Cs0  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O1  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Cs": 1.0, "O": 1.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs2O2", "identifiers": {"materials_project_id": "mp-1213702"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.445331251608669, "energy_above_hull": 0.30107250499999916, "formation_energy_per_atom": -0.9231508473275869, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 0.9999629, "volume": 55.62292439786519}, "record_id": "mp-1213702", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.284724854308384, "alpha": 59.99999999999999, "b": 4.284724854308384, "beta": 59.99999999999999, "c": 4.284724854308384, "gamma": 59.99999999999999, "matrix": [[0.0, 3.029758, 3.029758], [3.029758, 0.0, 3.029758], [3.029758, 3.029758, 0.0]], "pbc": [true, true, true], "volume": 55.62292439786519}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Cs", "properties": {"magmom": 0.056}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [3.029758, 3.029758, 3.029758]}, {"abc": [0.0, 0.0, 0.0], "label": "O", "properties": {"magmom": 0.761}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "m-3m", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Cs2O3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.64198800\n_cell_length_b   4.64198800\n_cell_length_c   4.64198800\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   Cs2O3\n_chemical_formula_sum   'Cs2 O3'\n_cell_volume   100.02580156\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  Cs  Cs0  1  0.00000000  0.00000000  0.00000000  1.0\n  Cs  Cs1  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O2  1  0.50000000  0.50000000  0.00000000  1.0\n  O  O3  1  0.50000000  0.00000000  0.50000000  1.0\n  O  O4  1  0.00000000  0.50000000  0.50000000  1.0\n", "composition": {"Cs": 2.0, "O": 3.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs2O3", "identifiers": {"materials_project_id": "mp-1185535"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.209578618076931, "energy_above_hull": 0.7009059889999993, "formation_energy_per_atom": -0.3950927608620695, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0002828, "volume": 100.02580155610131}, "record_id": "mp-1185535", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.641988, "alpha": 90.0, "b": 4.641988, "beta": 90.0, "c": 4.641988, "gamma": 90.0, "matrix": [[4.641988, 0.0, 0.0], [0.0, 4.641988, 0.0], [0.0, 0.0, 4.641988]], "pbc": [true, true, true], "volume": 100.02580155610131}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Cs", "properties": {"magmom": -0.0}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Cs", "properties": {"magmom": -0.0}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.320994, 2.320994, 2.320994]}, {"abc": [0.5, 0.5, 0.0], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.320994, 2.320994, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.320994, 0.0, 2.320994]}, {"abc": [0.0, 0.5, 0.5], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 2.320994, 2.320994]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 4 2 3", "number": 221, "point_group": "m-3m", "symbol": "Pm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Cs2O3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.56121537\n_cell_length_b   8.56121537\n_cell_length_c   8.56121537\n_cell_angle_alpha   109.47122063\n_cell_angle_beta   109.47122063\n_cell_angle_gamma   109.47122063\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs2O3\n_chemical_formula_sum   'Cs8 O12'\n_cell_volume   483.04142533\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  Cs  Cs0  1  0.39824000  0.39824000  0.39824000  1.0\n  Cs  Cs1  1  0.10176000  0.50000000  0.00000000  1.0\n  Cs  Cs2  1  0.00000000  0.10176000  0.50000000  1.0\n  Cs  Cs3  1  0.89824000  0.89824000  0.89824000  1.0\n  Cs  Cs4  1  0.50000000  0.00000000  0.10176000  1.0\n  Cs  Cs5  1  0.60176000  0.50000000  0.00000000  1.0\n  Cs  Cs6  1  0.50000000  0.00000000  0.60176000  1.0\n  Cs  Cs7  1  0.00000000  0.60176000  0.50000000  1.0\n  O  O8  1  0.19574600  0.94574600  0.25000000  1.0\n  O  O9  1  0.30425400  0.55425400  0.75000000  1.0\n  O  O10  1  0.94574600  0.25000000  0.19574600  1.0\n  O  O11  1  0.69574600  0.75000000  0.44574600  1.0\n  O  O12  1  0.55425400  0.75000000  0.30425400  1.0\n  O  O13  1  0.80425400  0.25000000  0.05425400  1.0\n  O  O14  1  0.25000000  0.19574600  0.94574600  1.0\n  O  O15  1  0.44574600  0.69574600  0.75000000  1.0\n  O  O16  1  0.75000000  0.30425400  0.55425400  1.0\n  O  O17  1  0.05425400  0.80425400  0.25000000  1.0\n  O  O18  1  0.75000000  0.44574600  0.69574600  1.0\n  O  O19  1  0.25000000  0.05425400  0.80425400  1.0\n", "composition": {"Cs": 8.0, "O": 12.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs2O3", "identifiers": {"materials_project_id": "mp-1213719"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.3150939005659446, "energy_above_hull": 0.07277228049999884, "formation_energy_per_atom": -1.0232264693620698, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 3.9981511, "volume": 483.0414253319752}, "record_id": "mp-1213719", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.561215372667599, "alpha": 109.47122063449069, "b": 8.561215372667599, "beta": 109.47122063449069, "c": 8.561215372667599, "gamma": 109.47122063449069, "matrix": [[-4.94282, 4.94282, 4.94282], [4.94282, -4.94282, 4.94282], [4.94282, 4.94282, -4.94282]], "pbc": [true, true, true], "volume": 483.0414253319752}, "properties": {}, "sites": [{"abc": [0.39824, 0.39824, 0.39824], "label": "Cs", "properties": {"magmom": 0.006}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [1.9684286368, 1.9684286368, 1.9684286368]}, {"abc": [0.10176, 0.5, 0.0], "label": "Cs", "properties": {"magmom": 0.006}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [1.9684286368000001, -1.9684286368000001, 2.9743913632]}, {"abc": [0.0, 0.10176, 0.5], "label": "Cs", "properties": {"magmom": 0.006}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.9743913632, 1.9684286368000001, -1.9684286368000001]}, {"abc": [0.89824, 0.89824, 0.89824], "label": "Cs", "properties": {"magmom": 0.006}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [4.4398386368, 4.4398386368, 4.4398386368]}, {"abc": [0.5, 0.0, 0.10176], "label": "Cs", "properties": {"magmom": 0.006}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-1.9684286368000001, 2.9743913632, 1.9684286368000001]}, {"abc": [0.60176, 0.5, 0.0], "label": "Cs", "properties": {"magmom": 0.006}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-0.5029813632, 0.5029813632, 5.4458013632]}, {"abc": [0.5, 0.0, 0.60176], "label": "Cs", "properties": {"magmom": 0.006}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [0.5029813632, 5.4458013632, -0.5029813632]}, {"abc": [0.0, 0.60176, 0.5], "label": "Cs", "properties": {"magmom": 0.006}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [5.4458013632, -0.5029813632, 0.5029813632]}, {"abc": [0.195746, 0.945746, 0.25], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.94282, -2.4714099999999997, 4.406484487439999]}, {"abc": [0.304254, 0.554254, 0.75], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.942819999999999, 2.47141, 0.5363355125600009]}, {"abc": [0.945746, 0.25, 0.195746], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.4714099999999997, 4.406484487439999, 4.94282]}, {"abc": [0.695746, 0.75, 0.445746], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.47141, 1.93507448744, 4.942819999999999]}, {"abc": [0.554254, 0.75, 0.304254], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.47141, 0.5363355125600004, 4.942819999999999]}, {"abc": [0.804254, 0.25, 0.054254], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.47141, 3.00774551256, 4.942820000000001]}, {"abc": [0.25, 0.195746, 0.945746], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.40648448744, 4.942819999999999, -2.4714099999999997]}, {"abc": [0.445746, 0.695746, 0.75], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.942819999999999, 2.47141, 1.9350744874399997]}, {"abc": [0.75, 0.304254, 0.554254], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5363355125600004, 4.942819999999999, 2.4714099999999997]}, {"abc": [0.054254, 0.804254, 0.25], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.94282, -2.4714100000000006, 3.0077455125600006]}, {"abc": [0.75, 0.445746, 0.695746], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.93507448744, 4.942819999999999, 2.47141]}, {"abc": [0.25, 0.054254, 0.804254], "label": "O", "properties": {"magmom": 0.269}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0077455125600006, 4.94282, -2.4714100000000006]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "I -4bd 2c 3", "number": 220, "point_group": "-43m", "symbol": "I-43d", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Cs3O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.90670751\n_cell_length_b   8.90670907\n_cell_length_c   7.43819180\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000088\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs3O\n_chemical_formula_sum   'Cs6 O2'\n_cell_volume   511.01359936\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  Cs  Cs0  1  -0.00000000  0.24514535  0.25000000  1.0\n  Cs  Cs1  1  0.75485465  -0.00000000  0.75000000  1.0\n  Cs  Cs2  1  0.24514535  0.24514535  0.75000000  1.0\n  Cs  Cs3  1  0.75485465  0.75485465  0.25000000  1.0\n  Cs  Cs4  1  0.00000000  0.75485465  0.75000000  1.0\n  Cs  Cs5  1  0.24514535  0.00000000  0.25000000  1.0\n  O  O6  1  0.00000000  -0.00000000  0.50000000  1.0\n  O  O7  1  0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"Cs": 6.0, "O": 2.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs3O", "identifiers": {"materials_project_id": "mp-510262"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.695238309526282, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.9187472859913788, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 2e-07, "volume": 511.0135993559472}, "record_id": "mp-510262", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.906707510000059, "alpha": 90.0, "b": 8.906709069644776, "beta": 90.0, "c": 7.4381918, "gamma": 120.00000088039978, "matrix": [[8.90670751, -1.02e-06, 0.0], [-4.45335377, 7.71343676, 0.0], [0.0, -0.0, 7.4381918]], "pbc": [true, true, true], "volume": 511.0135993559472}, "properties": {}, "sites": [{"abc": [-0.0, 0.24514535, 0.25], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-1.0917189686204696, 1.890913154233066, 1.85954795]}, {"abc": [0.75485465, -0.0, 0.75], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [6.7232695801134215, -7.699517429999999e-07, 5.578643850000001]}, {"abc": [0.24514535, 0.24514535, 0.75], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [1.0917189612661093, 1.890912904184809, 5.578643850000001]}, {"abc": [0.75485465, 0.75485465, 0.25], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [3.3616347787338916, 5.82252283581519, 1.85954795]}, {"abc": [0.0, 0.75485465, 0.75], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-3.36163480137953, 5.822523605766933, 5.578643850000001]}, {"abc": [0.24514535, 0.0, 0.25], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.183437929886579, -2.50048257e-07, 1.85954795]}, {"abc": [0.0, -0.0, 0.5], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 3.7190959]}, {"abc": [0.0, -0.0, -0.0], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6c 2", "number": 193, "point_group": "6/mmm", "symbol": "P6_3/mcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Cs4O3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.06851100\n_cell_length_b   8.06851100\n_cell_length_c   8.06851100\n_cell_angle_alpha   109.47122063\n_cell_angle_beta   109.47122063\n_cell_angle_gamma   109.47122063\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs4O3\n_chemical_formula_sum   'Cs8 O6'\n_cell_volume   404.35079017\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  Cs  Cs0  1  0.09889600  0.00000000  0.50000000  1.0\n  Cs  Cs1  1  0.00000000  0.50000000  0.09889600  1.0\n  Cs  Cs2  1  0.50000000  0.09889600  0.00000000  1.0\n  Cs  Cs3  1  0.40110400  0.40110400  0.40110400  1.0\n  Cs  Cs4  1  0.00000000  0.50000000  0.59889600  1.0\n  Cs  Cs5  1  0.59889600  0.00000000  0.50000000  1.0\n  Cs  Cs6  1  0.50000000  0.59889600  0.00000000  1.0\n  Cs  Cs7  1  0.90110400  0.90110400  0.90110400  1.0\n  O  O8  1  0.37500000  0.75000000  0.62500000  1.0\n  O  O9  1  0.12500000  0.25000000  0.87500000  1.0\n  O  O10  1  0.75000000  0.62500000  0.37500000  1.0\n  O  O11  1  0.25000000  0.87500000  0.12500000  1.0\n  O  O12  1  0.62500000  0.37500000  0.75000000  1.0\n  O  O13  1  0.87500000  0.12500000  0.25000000  1.0\n", "composition": {"Cs": 8.0, "O": 6.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs4O3", "identifiers": {"materials_project_id": "mp-1105918"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.760627114653287, "energy_above_hull": 0.13581592714285673, "formation_energy_per_atom": -1.0695602219458138, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 4.0006867, "volume": 404.35079016584723}, "record_id": "mp-1105918", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.068511003794132, "alpha": 109.47122063449069, "b": 8.068511003794132, "beta": 109.47122063449069, "c": 8.068511003794132, "gamma": 109.47122063449069, "matrix": [[-4.658357, -4.658357, 4.658357], [-4.658357, 4.658357, -4.658357], [4.658357, -4.658357, -4.658357]], "pbc": [true, true, true], "volume": 404.35079016584723}, "properties": {}, "sites": [{"abc": [0.098896, 0.0, 0.5], "label": "Cs", "properties": {"magmom": 0.021}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [1.8684856261279998, -2.789871373872, -1.8684856261279998]}, {"abc": [0.0, 0.5, 0.098896], "label": "Cs", "properties": {"magmom": 0.021}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-1.8684856261279998, 1.8684856261279998, -2.789871373872]}, {"abc": [0.5, 0.098896, 0.0], "label": "Cs", "properties": {"magmom": 0.021}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-2.789871373872, -1.8684856261279998, 1.8684856261279998]}, {"abc": [0.401104, 0.401104, 0.401104], "label": "Cs", "properties": {"magmom": 0.021}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-1.8684856261279998, -1.8684856261279998, -1.8684856261279998]}, {"abc": [0.0, 0.5, 0.598896], "label": "Cs", "properties": {"magmom": 0.021}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [0.460692873872, -0.460692873872, -5.119049873871999]}, {"abc": [0.598896, 0.0, 0.5], "label": "Cs", "properties": {"magmom": 0.021}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-0.460692873872, -5.119049873871999, 0.460692873872]}, {"abc": [0.5, 0.598896, 0.0], "label": "Cs", "properties": {"magmom": 0.021}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-5.119049873871999, 0.460692873872, -0.460692873872]}, {"abc": [0.901104, 0.901104, 0.901104], "label": "Cs", "properties": {"magmom": 0.021}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-4.197664126128, -4.197664126128, -4.197664126128]}, {"abc": [0.375, 0.75, 0.625], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.3291785000000003, -1.1645892499999997, -4.658357]}, {"abc": [0.125, 0.25, 0.875], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.3291784999999994, -3.4937677499999995, -4.658357]}, {"abc": [0.75, 0.625, 0.375], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.658357, -2.3291785000000003, -1.1645892499999997]}, {"abc": [0.25, 0.875, 0.125], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.658356999999999, 2.3291785, -3.4937677499999995]}, {"abc": [0.625, 0.375, 0.75], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.1645892499999997, -4.658357, -2.3291785000000003]}, {"abc": [0.875, 0.125, 0.25], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.49376775, -4.658357, 2.3291784999999994]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "I -4bd 2c 3", "number": 220, "point_group": "-43m", "symbol": "I-43d", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Cs7O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   16.68373117\n_cell_length_b   16.68373117\n_cell_length_c   9.32175705\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000328\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Cs7O\n_chemical_formula_sum   'Cs21 O3'\n_cell_volume   2247.06049043\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  Cs  Cs0  1  0.44389007  0.22194454  0.50000000  1.0\n  Cs  Cs1  1  0.47815095  0.52184905  0.78245641  1.0\n  Cs  Cs2  1  0.77805546  0.22194454  0.50000000  1.0\n  Cs  Cs3  1  0.47815095  0.52184905  0.21754359  1.0\n  Cs  Cs4  1  0.88317161  0.76634223  0.00000000  1.0\n  Cs  Cs5  1  0.11551823  0.23103645  0.50000000  1.0\n  Cs  Cs6  1  0.47815095  0.95630190  0.78245641  1.0\n  Cs  Cs7  1  0.56017150  0.78008525  0.00000000  1.0\n  Cs  Cs8  1  0.47815095  0.95630190  0.21754359  1.0\n  Cs  Cs9  1  0.21991475  0.43982850  0.00000000  1.0\n  Cs  Cs10  1  0.33333300  0.66666700  0.79790683  1.0\n  Cs  Cs11  1  0.77805546  0.55610993  0.50000000  1.0\n  Cs  Cs12  1  0.66666700  0.33333300  0.00000000  1.0\n  Cs  Cs13  1  0.76896355  0.88448177  0.50000000  1.0\n  Cs  Cs14  1  0.88317161  0.11682839  0.00000000  1.0\n  Cs  Cs15  1  0.23365777  0.11682839  0.00000000  1.0\n  Cs  Cs16  1  0.33333300  0.66666700  0.20209317  1.0\n  Cs  Cs17  1  0.04369810  0.52184905  0.78245641  1.0\n  Cs  Cs18  1  0.11551823  0.88448177  0.50000000  1.0\n  Cs  Cs19  1  0.21991475  0.78008525  0.00000000  1.0\n  Cs  Cs20  1  0.04369810  0.52184905  0.21754359  1.0\n  O  O21  1  0.41386538  0.58613462  0.00000000  1.0\n  O  O22  1  0.17227025  0.58613462  0.00000000  1.0\n  O  O23  1  0.41386538  0.82772975  0.00000000  1.0\n", "composition": {"Cs": 21.0, "O": 3.0}, "description": "", "elements": ["Cs", "O"], "formula": "Cs7O", "identifiers": {"materials_project_id": "mp-561735"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.0979815669509305, "energy_above_hull": 0.010467804755746046, "formation_energy_per_atom": -0.4489058382399431, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.4362076, "volume": 2247.060490426545}, "record_id": "mp-561735", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 16.683731167635205, "alpha": 90.0, "b": 16.683731167635205, "beta": 90.0, "c": 9.32175705, "gamma": 120.0000032819939, "matrix": [[8.34186517, -14.44853526, 0.0], [8.34186517, 14.44853526, 0.0], [0.0, 0.0, 9.32175705]], "pbc": [true, true, true], "volume": 2247.060490426545}, "properties": {}, "sites": [{"abc": [0.44389007, 0.22194454, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [5.554302542139534, -3.2067878160043883, 4.660878525]}, {"abc": [0.47815095, 0.52184905, 0.78245641], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, 0.6313735386450068, 7.293868556235191]}, {"abc": [0.77805546, 0.22194454, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, -8.034988236091039, 4.660878525]}, {"abc": [0.47815095, 0.52184905, 0.21754359], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, 0.6313735386450068, 2.02788849376481]}, {"abc": [0.88317161, 0.76634223, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [13.760022049328953, -1.6880134163339378, 0.0]}, {"abc": [0.11551823, 0.23103645, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.8909124145924956, 1.6690690748424373, 4.660878525]}, {"abc": [0.47815095, 0.9563019, 0.78245641], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [11.966012267422235, 6.908580860677497, 7.293868556235191]}, {"abc": [0.5601715, 0.78008525, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [11.180241101682398, 3.1774315710338232, 0.0]}, {"abc": [0.47815095, 0.9563019, 0.21754359], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [11.966012267422235, 6.908580860677497, 2.02788849376481]}, {"abc": [0.21991475, 0.4398285, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [5.503489238317602, 3.177431571033825, 0.0]}, {"abc": [0.333333, 0.666667, 0.79790683], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, 4.81618805235684, 7.437893617795652]}, {"abc": [0.77805546, 0.55610993, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [11.129427797860465, -3.206787816004388, 4.660878525]}, {"abc": [0.666667, 0.333333, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, -4.81618805235684, 0.0]}, {"abc": [0.76896355, 0.88448177, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [13.792817925407505, 1.6690690748424366, 4.660878525]}, {"abc": [0.88317161, 0.11682839, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, -11.072537035431935, 0.0]}, {"abc": [0.23365777, 0.11682839, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.923708290671047, -1.6880134163339386, 0.0]}, {"abc": [0.333333, 0.666667, 0.20209317], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, 4.81618805235684, 1.8838634322043484]}, {"abc": [0.0436981, 0.52184905, 0.78245641], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [4.717718072577766, 6.908580860677498, 7.293868556235191]}, {"abc": [0.11551823, 0.88448177, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, 11.11039682134442, 4.660878525]}, {"abc": [0.21991475, 0.78008525, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [8.34186517, 8.093643220861829, 0.0]}, {"abc": [0.0436981, 0.52184905, 0.21754359], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [4.717718072577766, 6.908580860677498, 2.02788849376481]}, {"abc": [0.41386538, 0.58613462, 0.0], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.34186517, 2.489038188353404, 0.0]}, {"abc": [0.17227025, 0.58613462, 0.0], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.326511169811378, 5.979733942802687, 0.0]}, {"abc": [0.41386538, 0.82772975, 0.0], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.357219170188623, 5.979733942802688, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P -6 2", "number": 187, "point_group": "-6m2", "symbol": "P-6m2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_CsO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.36552708\n_cell_length_b   4.36552630\n_cell_length_c   4.76272305\n_cell_angle_alpha   117.27757161\n_cell_angle_beta   117.27755202\n_cell_angle_gamma   90.00000320\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   CsO2\n_chemical_formula_sum   'Cs1 O2'\n_cell_volume   69.12138740\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  Cs  Cs0  1  -0.00000000  0.00000000  -0.00000000  1.0\n  O  O1  1  0.59233962  0.59233962  0.18467923  1.0\n  O  O2  1  0.40766038  0.40766038  0.81532077  1.0\n", "composition": {"Cs": 1.0, "O": 2.0}, "description": "", "elements": ["Cs", "O"], "formula": "CsO2", "identifiers": {"materials_project_id": "mp-1441"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.961580680255813, "energy_above_hull": 0.03485998833333248, "formation_energy_per_atom": -0.9756556932183914, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.9999999, "volume": 69.12138739865142}, "record_id": "mp-1441", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.365527076985657, "alpha": 117.2775716094954, "b": 4.36552630369277, "beta": 117.27755202259645, "c": 4.762723045701213, "gamma": 90.00000319828162, "matrix": [[3.86658036, 0.0, -2.02666795], [-1.06227821, 3.7177953, -2.02666796], [0.03179971, 0.04215716, 4.7624303]], "pbc": [true, true, true], "volume": 69.12138739865142}, "properties": {}, "sites": [{"abc": [-0.0, 0.0, -0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.59233962, 0.59233962, 0.18467923], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6669720158532064, 2.2099830070875726, -1.5214294919290854]}, {"abc": [0.40766038, 0.40766038, 0.81532077], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1691298441467937, 1.5499694529124273, 2.230523881929085]}], "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_CsO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.84889400\n_cell_length_b   4.87956200\n_cell_length_c   6.85744000\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   CsO2\n_chemical_formula_sum   'Cs2 O4'\n_cell_volume   162.25031446\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  Cs  Cs0  1  0.00000000  0.00000000  0.00000000  1.0\n  Cs  Cs1  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O2  1  0.88622800  0.00000000  0.44243200  1.0\n  O  O3  1  0.38622800  0.50000000  0.05756800  1.0\n  O  O4  1  0.61377200  0.50000000  0.94243200  1.0\n  O  O5  1  0.11377200  0.00000000  0.55756800  1.0\n", "composition": {"Cs": 2.0, "O": 4.0}, "description": "", "elements": ["Cs", "O"], "formula": "CsO2", "identifiers": {"materials_project_id": "mp-684583"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.375401198143328, "energy_above_hull": 0.07925093999999966, "formation_energy_per_atom": -0.9312647415517242, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 2.0000229, "volume": 162.25031445838073}, "record_id": "mp-684583", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.848894, "alpha": 90.0, "b": 4.879562, "beta": 90.0, "c": 6.85744, "gamma": 90.0, "matrix": [[4.848894, 0.0, 0.0], [0.0, 4.879562, 0.0], [0.0, 0.0, 6.85744]], "pbc": [true, true, true], "volume": 162.25031445838073}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Cs", "properties": {"magmom": -0.012}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Cs", "properties": {"magmom": -0.012}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.424447, 2.439781, 3.42872]}, {"abc": [0.886228, 0.0, 0.442432], "label": "O", "properties": {"magmom": -0.4}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.297225631832, 0.0, 3.03395089408]}, {"abc": [0.386228, 0.5, 0.057568], "label": "O", "properties": {"magmom": -0.398}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8727786318319999, 2.439781, 0.39476910592000003]}, {"abc": [0.613772, 0.5, 0.942432], "label": "O", "properties": {"magmom": -0.398}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.9761153681679997, 2.439781, 6.46267089408]}, {"abc": [0.113772, 0.0, 0.557568], "label": "O", "properties": {"magmom": -0.4}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5516683681679999, 0.0, 3.82348910592]}], "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_CsO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.06360659\n_cell_length_b   4.06360659\n_cell_length_c   4.14930400\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   113.76291804\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   CsO2\n_chemical_formula_sum   'Cs1 O2'\n_cell_volume   62.70820615\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  Cs  Cs0  1  0.50000000  0.50000000  0.00000000  1.0\n  O  O1  1  0.09970800  0.90029200  0.50000000  1.0\n  O  O2  1  0.90029200  0.09970800  0.50000000  1.0\n", "composition": {"Cs": 1.0, "O": 2.0}, "description": "", "elements": ["Cs", "O"], "formula": "CsO2", "identifiers": {"materials_project_id": "mp-1096936"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.366732357845716, "energy_above_hull": 0.0940473483333335, "formation_energy_per_atom": -0.916468333218391, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.0006923, "volume": 62.70820615304813}, "record_id": "mp-1096936", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.06360658781162, "alpha": 90.0, "b": 4.06360658781162, "beta": 90.0, "c": 4.149304, "gamma": 113.76291804129735, "matrix": [[2.220245, -3.403441, 0.0], [2.220245, 3.403441, 0.0], [0.0, 0.0, 4.149304]], "pbc": [true, true, true], "volume": 62.70820615304813}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.0], "label": "Cs", "properties": {"magmom": -0.002}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.220245, 0.0, 0.0]}, {"abc": [0.099708, 0.900292, 0.5], "label": "O", "properties": {"magmom": 0.411}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.220245, 2.724740409544, 2.074652]}, {"abc": [0.900292, 0.099708, 0.5], "label": "O", "properties": {"magmom": 0.411}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.220245, -2.724740409544, 2.074652]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2 2", "number": 65, "point_group": "mmm", "symbol": "Cmmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_CsO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.05376583\n_cell_length_b   4.05376583\n_cell_length_c   4.00771466\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   107.50561936\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   CsO2\n_chemical_formula_sum   'Cs1 O2'\n_cell_volume   62.80875388\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  Cs  Cs0  1  0.50000000  0.50000000  -0.00000000  1.0\n  O  O1  1  0.10308105  0.89691895  0.50000000  1.0\n  O  O2  1  0.89691895  0.10308105  0.50000000  1.0\n", "composition": {"Cs": 1.0, "O": 2.0}, "description": "", "elements": ["Cs", "O"], "formula": "CsO2", "identifiers": {"materials_project_id": "mp-1181502"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.35974185119947, "energy_above_hull": 0.03194090499999902, "formation_energy_per_atom": -0.9785747765517255, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.9999926, "volume": 62.808753879690805}, "record_id": "mp-1181502", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.053765826639311, "alpha": 90.0, "b": 4.053765826639311, "beta": 90.0, "c": 4.00771466, "gamma": 107.50561936357839, "matrix": [[2.39687053, -3.26925512, 0.0], [2.39687053, 3.26925512, 0.0], [0.0, 0.0, 4.00771466]], "pbc": [true, true, true], "volume": 62.808753879690805}, "properties": {}, "sites": [{"abc": [0.5, 0.5, -0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.39687053, 0.0, 0.0]}, {"abc": [0.10308105, 0.89691895, 0.5], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.39687053, 2.595258619025048, 2.00385733]}, {"abc": [0.89691895, 0.10308105, 0.5], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.39687053, -2.595258619025048, 2.00385733]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2 2", "number": 65, "point_group": "mmm", "symbol": "Cmmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_CsO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.17132661\n_cell_length_b   4.59548135\n_cell_length_c   7.33959270\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   89.97262471\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   CsO2\n_chemical_formula_sum   'Cs2 O4'\n_cell_volume   140.69449805\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  Cs  Cs0  1  0.00000000  0.00000000  0.00000000  1.0\n  Cs  Cs1  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O2  1  0.00090913  0.00000000  0.40858476  1.0\n  O  O3  1  0.50086610  0.50000000  0.09139107  1.0\n  O  O4  1  0.49913390  0.50000000  0.90860893  1.0\n  O  O5  1  -0.00090913  0.00000000  0.59141524  1.0\n", "composition": {"Cs": 2.0, "O": 4.0}, "description": "", "elements": ["Cs", "O"], "formula": "CsO2", "identifiers": {"materials_project_id": "mp-2037681"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.4142999999999999, "density": 3.8925467122377464, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.0105156815517244, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 1.9999999, "volume": 140.6944980519223}, "record_id": "mp-2037681", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.171326611310294, "alpha": 90.0, "b": 4.59548135, "beta": 89.97262470629049, "c": 7.339592698890445, "gamma": 90.0, "matrix": [[4.17132648, 0.0, 0.00104665], [0.0, 4.59548135, 0.0], [0.00166516, 0.0, 7.33959251]], "pbc": [true, true, true], "volume": 140.6944980519223}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Cs", "properties": {}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [2.08649582, 2.297740675, 3.67031958]}, {"abc": [0.00090913, 0.0, 0.40858476], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.004472637041724, 0.0, 2.9988465957370622]}, {"abc": [0.5008661, 0.5, 0.09139107], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0894282066184493, 2.297740675, 0.6712974443564507]}, {"abc": [0.4991339, 0.5, 0.90860893], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0835634333815514, 2.297740675, 6.669341715643549]}, {"abc": [-0.00090913, 0.0, 0.59141524], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-0.002807477041724, 0.0, 4.340745914262938]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-I 2 2", "number": 71, "point_group": "mmm", "symbol": "Immm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_CsO3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.48965500\n_cell_length_b   6.90130107\n_cell_length_c   8.14287476\n_cell_angle_alpha   75.55243007\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   CsO3\n_chemical_formula_sum   'Cs4 O12'\n_cell_volume   353.16244442\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  Cs  Cs0  1  0.74593200  0.35246100  0.41492800  1.0\n  Cs  Cs1  1  0.24593200  0.14753900  0.08507200  1.0\n  Cs  Cs2  1  0.25406800  0.64753900  0.58507200  1.0\n  Cs  Cs3  1  0.75406800  0.85246100  0.91492800  1.0\n  O  O4  1  0.27946900  0.61254800  0.12220600  1.0\n  O  O5  1  0.77946900  0.88745200  0.37779400  1.0\n  O  O6  1  0.72053100  0.38745200  0.87779400  1.0\n  O  O7  1  0.22053100  0.11254800  0.62220600  1.0\n  O  O8  1  0.24865500  0.21840200  0.45727800  1.0\n  O  O9  1  0.74865500  0.28159800  0.04272200  1.0\n  O  O10  1  0.75134500  0.78159800  0.54272200  1.0\n  O  O11  1  0.25134500  0.71840200  0.95727800  1.0\n  O  O12  1  0.42342100  0.69371200  0.20830500  1.0\n  O  O13  1  0.92342100  0.80628800  0.29169500  1.0\n  O  O14  1  0.57657900  0.30628800  0.79169500  1.0\n  O  O15  1  0.07657900  0.19371200  0.70830500  1.0\n", "composition": {"Cs": 4.0, "O": 12.0}, "description": "", "elements": ["Cs", "O"], "formula": "CsO3", "identifiers": {"materials_project_id": "mp-1189507"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.943, "density": 3.402372890310013, "energy_above_hull": 0.1089119424999998, "formation_energy_per_atom": -0.6489748186637936, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 3.9996465, "volume": 353.1624444172931}, "record_id": "mp-1189507", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.489655, "alpha": 75.55243006791709, "b": 6.901301065496129, "beta": 90.0, "c": 8.142874763704155, "gamma": 90.0, "matrix": [[0.0, -6.489655, 0.0], [-5.895473, 0.0, 3.587667], [-5.834741, 0.0, -5.679983]], "pbc": [true, true, true], "volume": 353.16244441729305}, "properties": {}, "sites": [{"abc": [0.745932, 0.352461, 0.414928], "label": "Cs", "properties": {"magmom": 0.008}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-4.4989217227010005, -4.84084133346, -1.0922712877370002]}, {"abc": [0.245932, 0.147539, 0.085072], "label": "Cs", "properties": {"magmom": 0.008}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-1.366185277299, -1.59601383346, 0.04611328773700002]}, {"abc": [0.254068, 0.647539, 0.585072], "label": "Cs", "properties": {"magmom": 0.008}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-7.2312922772990005, -1.6488136665400002, -1.000044712263]}, {"abc": [0.754068, 0.852461, 0.914928], "label": "Cs", "properties": {"magmom": 0.008}, "species": [{"element": "Cs", "occu": 1.0}], "xyz": [-10.364028722701, -4.89364116654, -2.138429287736999]}, {"abc": [0.279469, 0.612548, 0.122206], "label": "O", "properties": {"magmom": 0.33}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.32430055385, -1.8136573931950002, 1.5034902430179997]}, {"abc": [0.779469, 0.887452, 0.377794], "label": "O", "properties": {"magmom": 0.33}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-7.43627944615, -5.058484893195, 1.0380187569820003]}, {"abc": [0.720531, 0.387452, 0.877794], "label": "O", "properties": {"magmom": 0.33}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-7.4059134461500005, -4.675997606805, -3.595806243018]}, {"abc": [0.220531, 0.112548, 0.622206], "label": "O", "properties": {"magmom": 0.33}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.293934553850001, -1.431170106805, -3.130334756982]}, {"abc": [0.248655, 0.218402, 0.457278], "label": "O", "properties": {"magmom": 0.242}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.955681789144, -1.6136851640249998, -1.81377761814]}, {"abc": [0.748655, 0.281598, 0.042722], "label": "O", "properties": {"magmom": 0.242}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.9094252108560001, -4.858512664025, 0.7676196181400001]}, {"abc": [0.751345, 0.781598, 0.542722], "label": "O", "properties": {"magmom": 0.242}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-7.774532210856, -4.875969835975, -0.27853838186000024]}, {"abc": [0.251345, 0.718402, 0.957278], "label": "O", "properties": {"magmom": 0.242}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-9.820788789144, -1.631142335975, -2.8599356181399997]}, {"abc": [0.423421, 0.693712, 0.208305], "label": "O", "properties": {"magmom": 0.242}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-5.305166089781, -2.747856209755, 1.305638791089]}, {"abc": [0.923421, 0.806288, 0.291695], "label": "O", "properties": {"magmom": 0.242}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-6.455413910219, -5.992683709755, 1.235870208911]}, {"abc": [0.576579, 0.306288, 0.791695], "label": "O", "properties": {"magmom": 0.242}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-6.425047910219001, -3.741798790245, -3.397954791089]}, {"abc": [0.076579, 0.193712, 0.708305], "label": "O", "properties": {"magmom": 0.242}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-5.274800089781, -0.496971290245, -3.3281862089109997]}], "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"}}}