raw/materials_project/materials_project-part-02.jsonl

{"cif": "# generated using pymatgen\ndata_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.87846823\n_cell_length_b   3.87846775\n_cell_length_c   3.87846748\n_cell_angle_alpha   59.99999379\n_cell_angle_beta   59.99999785\n_cell_angle_gamma   60.00000430\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O\n_chemical_formula_sum   'Na2 O1'\n_cell_volume   41.25395267\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  Na  Na0  1  0.75000000  0.75000000  0.75000000  1.0\n  Na  Na1  1  0.25000000  0.25000000  0.25000000  1.0\n  O  O2  1  -0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"Na": 2.0, "O": 1.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-2352"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8730000000000002, "density": 2.494753648201913, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.4257386859195398, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 41.253952671138684}, "record_id": "mp-2352", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.878468227590648, "alpha": 59.99999378795223, "b": 3.8784677516620265, "beta": 59.99999784718252, "c": 3.87846748, "gamma": 60.00000430484028, "matrix": [[3.35885194, 0.0, 1.93923424], [1.11961665, 3.16675563, 1.93923424], [-0.0, -0.0, 3.87846748]], "pbc": [true, true, true], "volume": 41.253952671138684}, "properties": {}, "sites": [{"abc": [0.75, 0.75, 0.75], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.3588514425, 2.3750667224999997, 5.81770197]}, {"abc": [0.25, 0.25, 0.25], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.1196171475, 0.7916889075, 1.93923399]}, {"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": "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_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.31201328\n_cell_length_b   5.04906141\n_cell_length_c   3.62981541\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   Na2O\n_chemical_formula_sum   'Na4 O2'\n_cell_volume   97.35412215\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  Na  Na0  1  0.20285799  0.82448041  0.50000000  1.0\n  Na  Na1  1  0.29714201  0.32448041  0.00000000  1.0\n  Na  Na2  1  0.70285799  0.67551959  -0.00000000  1.0\n  Na  Na3  1  0.79714201  0.17551959  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": {"Na": 4.0, "O": 2.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-755072"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.0343, "density": 2.1143110667876255, "energy_above_hull": 0.07014185166666698, "formation_energy_per_atom": -1.355596834252873, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 97.3541221495295}, "record_id": "mp-755072", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.31201328, "alpha": 90.0, "b": 5.04906141, "beta": 90.0, "c": 3.62981541, "gamma": 90.0, "matrix": [[5.31201328, 0.0, 0.0], [0.0, 5.04906141, 0.0], [0.0, 0.0, 3.62981541]], "pbc": [true, true, true], "volume": 97.3541221495295}, "properties": {}, "sites": [{"abc": [0.20285799, 0.82448041, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.0775843368341071, 4.1628522214319785, 1.814907705]}, {"abc": [0.29714201, 0.32448041, 0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.578422303165893, 1.6383215164319782, 0.0]}, {"abc": [0.70285799, 0.67551959, -0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.733590976834108, 3.4107398935680218, 0.0]}, {"abc": [0.79714201, 0.17551959, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.234428943165893, 0.886209188568022, 1.814907705]}, {"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": [2.65600664, 2.524530705, 1.814907705]}], "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_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.17758249\n_cell_length_b   8.17758249\n_cell_length_c   8.17758213\n_cell_angle_alpha   26.94040917\n_cell_angle_beta   26.94040917\n_cell_angle_gamma   26.94040356\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O\n_chemical_formula_sum   'Na4 O2'\n_cell_volume   99.00220023\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  Na  Na0  1  0.39272600  0.39272600  0.39272600  1.0\n  Na  Na1  1  0.20157500  0.20157500  0.20157500  1.0\n  Na  Na2  1  0.79842500  0.79842500  0.79842500  1.0\n  Na  Na3  1  0.60727400  0.60727400  0.60727400  1.0\n  O  O4  1  0.90347600  0.90347600  0.90347600  1.0\n  O  O5  1  0.09652400  0.09652400  0.09652400  1.0\n", "composition": {"Na": 4.0, "O": 2.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-755413"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.0889, "density": 2.0791143769692786, "energy_above_hull": 0.07897297833333283, "formation_energy_per_atom": -1.346765707586207, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0003708, "volume": 99.00220023402109}, "record_id": "mp-755413", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.177582493917013, "alpha": 26.94040916577454, "b": 8.177582493917013, "beta": 26.94040916577454, "c": 8.177582126540399, "gamma": 26.940403563381953, "matrix": [[7.952627, -1.904883, 0.0], [7.952627, 1.904883, 0.0], [7.496352, 0.0, 3.267653]], "pbc": [true, true, true], "volume": 99.00220023402109}, "properties": {}, "sites": [{"abc": [0.392726, 0.392726, 0.392726], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [9.190419117956, 0.0, 1.283292292078]}, {"abc": [0.201575, 0.201575, 0.201575], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.71717872945, 0.0, 0.658677153475]}, {"abc": [0.798425, 0.798425, 0.798425], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [18.68442727055, 0.0, 2.6089758465250004]}, {"abc": [0.607274, 0.607274, 0.607274], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [14.211186882044, 0.0, 1.984360707922]}, {"abc": [0.903476, 0.903476, 0.903476], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [21.142789382455998, 0.0, 2.9522460618279998]}, {"abc": [0.096524, 0.096524, 0.096524], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.258816617544, 0.0, 0.315406938172]}], "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_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.19378238\n_cell_length_b   6.19378238\n_cell_length_c   3.70870800\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000409\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O\n_chemical_formula_sum   'Na6 O3'\n_cell_volume   123.21544216\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  Na  Na0  1  0.26522300  0.92200200  0.07842900  1.0\n  Na  Na1  1  0.67506900  0.07294600  0.57367800  1.0\n  Na  Na2  1  0.39787700  0.32493100  0.57367800  1.0\n  Na  Na3  1  0.07799800  0.34322100  0.07842900  1.0\n  Na  Na4  1  0.92705400  0.60212300  0.57367800  1.0\n  Na  Na5  1  0.65677900  0.73477700  0.07842900  1.0\n  O  O6  1  0.00000000  0.00000000  0.47462700  1.0\n  O  O7  1  0.66666700  0.33333300  0.06893300  1.0\n  O  O8  1  0.33333300  0.66666700  0.60511700  1.0\n", "composition": {"Na": 6.0, "O": 3.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-776952"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.5041, "density": 2.5058169770350736, "energy_above_hull": 0.07951855111111028, "formation_energy_per_atom": -1.3462201348084295, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 4.09e-05, "volume": 123.21544215593173}, "record_id": "mp-776952", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.19378238321383, "alpha": 90.0, "b": 6.19378238321383, "beta": 90.0, "c": 3.708708, "gamma": 120.00000409333444, "matrix": [[3.096891, -5.363973, 0.0], [3.096891, 5.363973, 0.0], [0.0, 0.0, 3.708708]], "pbc": [true, true, true], "volume": 123.21544215593173}, "properties": {}, "sites": [{"abc": [0.265223, 0.922002, 0.078429], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.6767064174749997, 3.522944822967, 0.290870259732]}, {"abc": [0.675069, 0.072946, 0.573678], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.316520921365, -3.2297715146790003, 2.127604188024]}, {"abc": [0.397877, 0.324931, 0.573678], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.238457589928, -0.3912803744579998, 2.127604188024]}, {"abc": [0.077998, 0.343221, 0.078429], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.304469330129, 1.422649010979, 0.290870259732]}, {"abc": [0.927054, 0.602123, 0.573678], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.735694488707, -1.742921110863, 2.127604188024]}, {"abc": [0.656779, 0.734777, 0.078429], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.309497252396, 0.41837916605400016, 0.290870259732]}, {"abc": [0.0, 0.0, 0.474627], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 1.7602529519160002]}, {"abc": [0.666667, 0.333333, 0.068933], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.096891, -1.7879945759820002, 0.255652368564]}, {"abc": [0.333333, 0.666667, 0.605117], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.096891, 1.7879945759820002, 2.244202258836]}], "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_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.05592155\n_cell_length_b   6.05592155\n_cell_length_c   3.56637044\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000597\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O\n_chemical_formula_sum   'Na6 O3'\n_cell_volume   113.27068780\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  Na  Na0  1  0.41512682  1.00000000  -0.00000000  1.0\n  Na  Na1  1  0.25924243  0.25924243  0.50000000  1.0\n  Na  Na2  1  1.00000000  0.74075757  0.50000000  1.0\n  Na  Na3  1  1.00000000  0.41512682  -0.00000000  1.0\n  Na  Na4  1  0.74075757  1.00000000  0.50000000  1.0\n  Na  Na5  1  0.58487318  0.58487318  0.00000000  1.0\n  O  O6  1  0.33333300  0.66666700  0.50000000  1.0\n  O  O7  1  -0.00000000  -0.00000000  0.00000000  1.0\n  O  O8  1  0.66666700  0.33333300  0.50000000  1.0\n", "composition": {"Na": 6.0, "O": 3.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-1119338"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6211999999999998, "density": 2.7258185923752474, "energy_above_hull": 0.0734347077777775, "formation_energy_per_atom": -1.3523039781417623, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 113.2706878039785}, "record_id": "mp-1119338", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.055921546192131, "alpha": 90.0, "b": 6.055921546192131, "beta": 90.0, "c": 3.56637044, "gamma": 120.00000596701588, "matrix": [[3.0279605, -5.24458206, 0.0], [3.0279605, 5.24458206, 0.0], [-0.0, 0.0, 3.56637044]], "pbc": [true, true, true], "volume": 113.2706878039785}, "properties": {}, "sites": [{"abc": [0.41512682, 1.0, -0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.28494811345061, 3.067415387203151, 0.0]}, {"abc": [0.25924243, 0.25924243, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.56995167592803, 0.0, 1.78318522]}, {"abc": [1.0, 0.74075757, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [5.270945162035985, -1.359618197568806, 1.78318522]}, {"abc": [1.0, 0.41512682, -0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.28494811345061, -3.067415387203151, 0.0]}, {"abc": [0.74075757, 1.0, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [5.270945162035985, 1.359618197568806, 1.78318522]}, {"abc": [0.58487318, 0.58487318, 0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.54194577309878, 0.0, 0.0]}, {"abc": [0.333333, 0.666667, 0.5], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0279605, 1.74819751638804, 1.78318522]}, {"abc": [-0.0, -0.0, 0.0], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.666667, 0.333333, 0.5], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0279605, -1.74819751638804, 1.78318522]}], "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_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   12.56994112\n_cell_length_b   11.86770867\n_cell_length_c   12.44660761\n_cell_angle_alpha   85.30852657\n_cell_angle_beta   91.82129866\n_cell_angle_gamma   85.40233701\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O\n_chemical_formula_sum   'Na68 O34'\n_cell_volume   1843.19045857\n_cell_formula_units_Z   34\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  Na  Na0  1  0.04974340  0.83754806  0.34519373  1.0\n  Na  Na1  1  0.10736549  0.17121017  0.67189691  1.0\n  Na  Na2  1  0.01140290  0.57496532  0.87499897  1.0\n  Na  Na3  1  0.07011234  0.11198833  0.38062290  1.0\n  Na  Na4  1  0.82341378  0.17629809  0.87924011  1.0\n  Na  Na5  1  0.58911192  0.24022609  0.83697533  1.0\n  Na  Na6  1  0.53088861  0.61572219  0.20802717  1.0\n  Na  Na7  1  0.91516325  0.31632625  0.27855216  1.0\n  Na  Na8  1  0.90270672  0.41848255  0.70553390  1.0\n  Na  Na9  1  0.94468308  0.36997536  0.97651563  1.0\n  Na  Na10  1  0.62970761  0.02595921  0.60833992  1.0\n  Na  Na11  1  0.41037896  0.80512436  0.84604806  1.0\n  Na  Na12  1  0.87910256  0.13327126  0.14155376  1.0\n  Na  Na13  1  0.93918813  0.88583712  0.14125174  1.0\n  Na  Na14  1  0.28426125  0.20824374  0.44829671  1.0\n  Na  Na15  1  0.33423929  0.64769353  0.05438655  1.0\n  Na  Na16  1  0.35043626  0.22171000  0.93982626  1.0\n  Na  Na17  1  0.62608175  0.77891177  0.68617221  1.0\n  Na  Na18  1  0.51084708  0.97740633  0.02355839  1.0\n  Na  Na19  1  0.10891263  0.95617090  0.59608760  1.0\n  Na  Na20  1  0.43381563  0.16022385  0.14430424  1.0\n  Na  Na21  1  0.20869996  0.64628722  0.74916396  1.0\n  Na  Na22  1  0.85966959  0.00904621  0.69988321  1.0\n  Na  Na23  1  0.80947615  0.80131440  0.54863107  1.0\n  Na  Na24  1  0.64235356  0.91401520  0.34806933  1.0\n  Na  Na25  1  0.10328920  0.29963125  0.11271569  1.0\n  Na  Na26  1  0.97542825  0.81123260  0.70610769  1.0\n  Na  Na27  1  0.13850636  0.17833936  0.91631467  1.0\n  Na  Na28  1  0.71220966  0.43759691  0.24662081  1.0\n  Na  Na29  1  0.09497575  0.04614094  0.12748643  1.0\n  Na  Na30  1  0.36925580  0.90850480  0.57290311  1.0\n  Na  Na31  1  0.25795131  0.40061643  0.25775776  1.0\n  Na  Na32  1  0.04613565  0.68676070  0.06372890  1.0\n  Na  Na33  1  0.97590666  0.01114680  0.92990710  1.0\n  Na  Na34  1  0.16336681  0.89161928  0.86223054  1.0\n  Na  Na35  1  0.00542530  0.55346469  0.23874075  1.0\n  Na  Na36  1  0.46633005  0.40464421  0.37788626  1.0\n  Na  Na37  1  0.24984565  0.64128546  0.30892585  1.0\n  Na  Na38  1  0.82314694  0.23334027  0.58012318  1.0\n  Na  Na39  1  0.35820648  0.07168416  0.71084838  1.0\n  Na  Na40  1  0.51825515  0.10683598  0.35535059  1.0\n  Na  Na41  1  0.95080380  0.55551113  0.48210321  1.0\n  Na  Na42  1  0.86873075  0.99523430  0.40490494  1.0\n  Na  Na43  1  0.78756724  0.57521250  0.05265154  1.0\n  Na  Na44  1  0.11198339  0.41538140  0.68088880  1.0\n  Na  Na45  1  0.81428058  0.82764887  0.93631605  1.0\n  Na  Na46  1  0.09255102  0.69317971  0.53727619  1.0\n  Na  Na47  1  0.25820912  0.15526737  0.24247149  1.0\n  Na  Na48  1  0.58668299  0.66436452  0.45185792  1.0\n  Na  Na49  1  0.28021376  0.91974168  0.07529894  1.0\n  Na  Na50  1  0.47266437  0.84267068  0.21790258  1.0\n  Na  Na51  1  0.58773518  0.27076985  0.60951167  1.0\n  Na  Na52  1  0.82178812  0.64740051  0.73155851  1.0\n  Na  Na53  1  0.35217899  0.35398152  0.70533317  1.0\n  Na  Na54  1  0.69404468  0.84873010  0.14264138  1.0\n  Na  Na55  1  0.69438405  0.22411069  0.36487160  1.0\n  Na  Na56  1  0.43786629  0.57753959  0.71460228  1.0\n  Na  Na57  1  0.65785173  0.97700729  0.81119752  1.0\n  Na  Na58  1  0.64360771  0.47493947  0.64675934  1.0\n  Na  Na59  1  0.75607118  0.49019247  0.46246031  1.0\n  Na  Na60  1  0.49525021  0.45083266  0.91253192  1.0\n  Na  Na61  1  0.22635575  0.45391071  0.92415608  1.0\n  Na  Na62  1  0.67541774  0.34461662  0.04759693  1.0\n  Na  Na63  1  0.07143664  0.38742022  0.42644335  1.0\n  Na  Na64  1  0.79636781  0.66853457  0.27070968  1.0\n  Na  Na65  1  0.47411470  0.39295027  0.14603147  1.0\n  Na  Na66  1  0.65872031  0.11980106  0.11716103  1.0\n  Na  Na67  1  0.55997400  0.68053535  0.98938990  1.0\n  O  O68  1  0.25943473  0.11801483  0.06784047  1.0\n  O  O69  1  0.97896933  0.85823281  0.51763834  1.0\n  O  O70  1  0.51418478  0.39582799  0.73221995  1.0\n  O  O71  1  0.98322098  0.18484677  0.00017205  1.0\n  O  O72  1  0.63198146  0.37401828  0.46330115  1.0\n  O  O73  1  0.98058142  0.01109663  0.26590292  1.0\n  O  O74  1  0.22342115  0.29694166  0.80246826  1.0\n  O  O75  1  0.49586789  0.92722142  0.71506222  1.0\n  O  O76  1  0.12141536  0.27368600  0.29814384  1.0\n  O  O77  1  0.07568988  0.48890414  0.03190594  1.0\n  O  O78  1  0.69029242  0.96830169  0.98985739  1.0\n  O  O79  1  0.54465923  0.00730960  0.20526172  1.0\n  O  O80  1  0.78956082  0.83751436  0.74591056  1.0\n  O  O81  1  0.13917330  0.82018422  0.14275536  1.0\n  O  O82  1  0.62640616  0.73976375  0.29171608  1.0\n  O  O83  1  0.69652630  0.04543384  0.44959163  1.0\n  O  O84  1  0.43186434  0.81137748  0.03411048  1.0\n  O  O85  1  0.10107887  0.59641439  0.38911443  1.0\n  O  O86  1  0.24486071  0.06843006  0.56605277  1.0\n  O  O87  1  0.37539239  0.53673209  0.22745544  1.0\n  O  O88  1  0.34816719  0.60173528  0.86867109  1.0\n  O  O89  1  0.03234643  0.60117309  0.69977142  1.0\n  O  O90  1  0.61762116  0.51913339  0.08121779  1.0\n  O  O91  1  0.03817692  0.99253297  0.76166025  1.0\n  O  O92  1  0.51588343  0.26277294  0.00509648  1.0\n  O  O93  1  0.98534282  0.32449315  0.58280675  1.0\n  O  O94  1  0.75835918  0.26040120  0.19876403  1.0\n  O  O95  1  0.79913478  0.01644127  0.00618837  1.0\n  O  O96  1  0.09803039  0.87429748  0.03047522  1.0\n  O  O97  1  0.86160513  0.72805694  0.10457342  1.0\n  O  O98  1  0.71742669  0.15111948  0.72269835  1.0\n  O  O99  1  0.86665466  0.49278941  0.32815426  1.0\n  O  O100  1  0.71741557  0.63352721  0.58329038  1.0\n  O  O101  1  0.39443312  0.25172972  0.30650392  1.0\n", "composition": {"Na": 68.0, "O": 34.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-1245205"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.11619999999999986, "density": 1.8984621189416067, "energy_above_hull": 0.2662807406862737, "formation_energy_per_atom": -1.1594579452332658, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0, "volume": 1843.1904585693164}, "record_id": "mp-1245205", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 12.569941120084396, "alpha": 85.30852657491485, "b": 11.867708670049328, "beta": 91.8212986646934, "c": 12.44660760508146, "gamma": 85.4023370110391, "matrix": [[12.5576682, 0.51023125, -0.21921043], [0.47937569, 11.84791665, 0.48946816], [-0.19979857, 0.5140985, 12.43438073]], "pbc": [true, true, true], "volume": 1843.1904585693164}, "properties": {}, "sites": [{"abc": [0.0497434, 0.83754806, 0.34519373], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.9571920778835753, 10.126043821212855, 4.691319100164931]}, {"abc": [0.10736549, 0.17121017, 0.67189691], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.2960901511237666, 2.428686245547528, 8.414888281903671]}, {"abc": [0.0114029, 0.57496532, 0.87499897], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.24399468876137795, 7.267794961899748, 11.158997913969813]}, {"abc": [0.07011234, 0.11198833, 0.3806229], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.8580840742820327, 1.5582795684469692, 4.772255418783583]}, {"abc": [0.82341378, 0.17629809, 0.87924011], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [10.248999142422585, 2.9609125398016585, 10.83859769376917]}, {"abc": [0.58911192, 0.24022609, 0.83697533], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [7.345804097615418, 3.5770497644969037, 10.39571345979236]}, {"abc": [0.53088861, 0.61572219, 0.20802717], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [6.920321734131616, 7.672847601822771, 2.7716891208947025]}, {"abc": [0.91516325, 0.31632625, 0.27855216], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [11.588301233454102, 4.357955180836385, 3.4178419085983793]}, {"abc": [0.90270672, 0.41848255, 0.7055339], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [11.39553716852299, 5.781449469697608, 8.779828286007266]}, {"abc": [0.94468308, 0.36997536, 0.97651563], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [11.845267439820407, 5.367469277205549, 12.116373906739824]}, {"abc": [0.62970761, 0.02595921, 0.60833992], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [7.798557997510692, 0.941605697726779, 7.4389979093291245]}, {"abc": [0.41037896, 0.80512436, 0.84604806], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [5.370320669012607, 10.183386518473004, 10.82420708469371]}, {"abc": [0.87910256, 0.13327126, 0.14155376], 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"occu": 1.0}], "xyz": [11.053828175819849, 6.449425759007411, 4.131619992111491]}, {"abc": [0.71741557, 0.63352721, 0.58329038], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.196223649182642, 8.17189413206004, 7.405681083266616]}, {"abc": [0.39443312, 0.25172972, 0.30650392], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.012594311353897, 3.3412980502629575, 3.847936265541735]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "P 1", "number": 1, "point_group": "1", "symbol": "P1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   12.26098068\n_cell_length_b   11.13129146\n_cell_length_c   12.77793377\n_cell_angle_alpha   87.85039575\n_cell_angle_beta   90.80304022\n_cell_angle_gamma   90.96239151\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O\n_chemical_formula_sum   'Na68 O34'\n_cell_volume   1742.31000363\n_cell_formula_units_Z   34\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  Na  Na0  1  0.70653087  0.37059302  0.42221532  1.0\n  Na  Na1  1  0.47085816  0.89858097  0.01523990  1.0\n  Na  Na2  1  0.17622966  0.29594357  0.15655528  1.0\n  Na  Na3  1  0.03492186  0.15446782  0.00410251  1.0\n  Na  Na4  1  0.80100495  0.07514314  0.72816658  1.0\n  Na  Na5  1  0.83963171  0.51021603  0.07133517  1.0\n  Na  Na6  1  0.40709427  0.45795856  0.43992674  1.0\n  Na  Na7  1  0.82175687  0.12661568  0.28151369  1.0\n  Na  Na8  1  0.25089940  0.23602891  0.39106433  1.0\n  Na  Na9  1  0.59326484  0.49901534  0.84403865  1.0\n  Na  Na10  1  0.01752534  0.89574483  0.39569803  1.0\n  Na  Na11  1  0.91446893  0.77588555  0.99383045  1.0\n  Na  Na12  1  0.53181932  0.05129884  0.58875939  1.0\n  Na  Na13  1  0.14890039  0.33838890  0.71679376  1.0\n  Na  Na14  1  0.58268766  0.66147173  0.04573152  1.0\n  Na  Na15  1  0.76994711  0.88859329  0.85494410  1.0\n  Na  Na16  1  0.89702938  0.33625170  0.58707613  1.0\n  Na  Na17  1  0.88953831  0.24209468  0.83523838  1.0\n  Na  Na18  1  0.09778210  0.38382970  0.92266942  1.0\n  Na  Na19  1  0.00268486  0.86368336  0.80769210  1.0\n  Na  Na20  1  0.97398464  0.69038752  0.22963159  1.0\n  Na  Na21  1  0.61722123  0.82542878  0.55928707  1.0\n  Na  Na22  1  0.42458651  0.57912601  0.22729098  1.0\n  Na  Na23  1  0.42645412  0.68083622  0.54766680  1.0\n  Na  Na24  1  0.53155308  0.23422491  0.39784627  1.0\n  Na  Na25  1  0.86229889  0.49695410  0.83473106  1.0\n  Na  Na26  1  0.51075291  0.76439800  0.82443280  1.0\n  Na  Na27  1  0.28083697  0.04229151  0.81905626  1.0\n  Na  Na28  1  0.01893388  0.64208781  0.67737914  1.0\n  Na  Na29  1  0.84275203  0.02184941  0.08748306  1.0\n  Na  Na30  1  0.54936107  0.11140840  0.19307812  1.0\n  Na  Na31  1  0.05884009  0.99850651  0.60060592  1.0\n  Na  Na32  1  0.06379965  0.61004012  0.93699598  1.0\n  Na  Na33  1  0.23595623  0.81142122  0.04972587  1.0\n  Na  Na34  1  0.74927990  0.29373016  0.99524987  1.0\n  Na  Na35  1  0.44963507  0.28456826  0.62694264  1.0\n  Na  Na36  1  0.66797757  0.85750255  0.14378425  1.0\n  Na  Na37  1  0.40278361  0.32836970  0.22680980  1.0\n  Na  Na38  1  0.18276481  0.48192292  0.44494469  1.0\n  Na  Na39  1  0.69357298  0.31783657  0.69442246  1.0\n  Na  Na40  1  0.31444651  0.58465565  0.97439552  1.0\n  Na  Na41  1  0.44716939  0.79152863  0.34972767  1.0\n  Na  Na42  1  0.08224925  0.08498756  0.27858623  1.0\n  Na  Na43  1  0.86766545  0.58426056  0.47780604  1.0\n  Na  Na44  1  0.04610642  0.91791423  0.10997485  1.0\n  Na  Na45  1  0.19044937  0.74542766  0.46421871  1.0\n  Na  Na46  1  0.67246595  0.41641361  0.19169138  1.0\n  Na  Na47  1  0.18278544  0.54428074  0.20734840  1.0\n  Na  Na48  1  0.93901169  0.39799530  0.29389465  1.0\n  Na  Na49  1  0.63220530  0.60913738  0.32201856  1.0\n  Na  Na50  1  0.27791402  0.14383085  0.00342014  1.0\n  Na  Na51  1  0.03347762  0.22081127  0.45645570  1.0\n  Na  Na52  1  0.30383515  0.36257775  0.90409947  1.0\n  Na  Na53  1  0.24529998  0.16046773  0.60622065  1.0\n  Na  Na54  1  0.32833178  0.92128991  0.64597751  1.0\n  Na  Na55  1  0.50544762  0.32070339  0.03352997  1.0\n  Na  Na56  1  0.33122525  0.05051559  0.18076865  1.0\n  Na  Na57  1  0.79344250  0.76354887  0.31866610  1.0\n  Na  Na58  1  0.77060008  0.13046582  0.51874988  1.0\n  Na  Na59  1  0.33119682  0.00543321  0.42334962  1.0\n  Na  Na60  1  0.78549001  0.69376189  0.71578180  1.0\n  Na  Na61  1  0.23377278  0.74274691  0.80628378  1.0\n  Na  Na62  1  0.64458989  0.07295814  0.98496596  1.0\n  Na  Na63  1  0.52292027  0.12784796  0.82355024  1.0\n  Na  Na64  1  0.84450057  0.81869306  0.53842261  1.0\n  Na  Na65  1  0.06246303  0.08211827  0.80600231  1.0\n  Na  Na66  1  0.64806568  0.55240789  0.58906625  1.0\n  Na  Na67  1  0.32985841  0.51002317  0.69661545  1.0\n  O  O68  1  0.64095707  0.46738903  0.01375184  1.0\n  O  O69  1  0.15984024  0.08194997  0.12620774  1.0\n  O  O70  1  0.92406331  0.68743091  0.83661965  1.0\n  O  O71  1  0.92811854  0.37053546  0.96814866  1.0\n  O  O72  1  0.17871367  0.21680321  0.87086075  1.0\n  O  O73  1  0.82603582  0.56179002  0.25084222  1.0\n  O  O74  1  0.14704206  0.05435358  0.44832076  1.0\n  O  O75  1  0.70959270  0.69343338  0.46872845  1.0\n  O  O76  1  0.54056487  0.42362914  0.31845642  1.0\n  O  O77  1  0.31802922  0.41836840  0.08484530  1.0\n  O  O78  1  0.70168545  0.19515435  0.83852866  1.0\n  O  O79  1  0.86075367  0.26107841  0.41096565  1.0\n  O  O80  1  0.81135762  0.48923898  0.65960397  1.0\n  O  O81  1  0.71662734  0.15331564  0.13828286  1.0\n  O  O82  1  0.50635517  0.58999407  0.70090254  1.0\n  O  O83  1  0.91010544  0.92003034  0.24767577  1.0\n  O  O84  1  0.31501313  0.62761563  0.38849124  1.0\n  O  O85  1  0.96773515  0.17505271  0.67083035  1.0\n  O  O86  1  0.36021447  0.77475161  0.93043565  1.0\n  O  O87  1  0.28115105  0.36321009  0.56670160  1.0\n  O  O88  1  0.45587816  0.10944343  0.02758305  1.0\n  O  O89  1  0.16258050  0.91674251  0.73199437  1.0\n  O  O90  1  0.53566333  0.74299155  0.20626134  1.0\n  O  O91  1  0.61846592  0.23916275  0.55070978  1.0\n  O  O92  1  0.64282108  0.85150570  0.96964388  1.0\n  O  O93  1  0.00847115  0.72628964  0.50274005  1.0\n  O  O94  1  0.08521161  0.70584388  0.09224434  1.0\n  O  O95  1  0.39872376  0.10296328  0.69602854  1.0\n  O  O96  1  0.94039714  0.98280680  0.94089362  1.0\n  O  O97  1  0.75274206  0.90047772  0.66553851  1.0\n  O  O98  1  0.20000566  0.52525117  0.82475088  1.0\n  O  O99  1  0.44119450  0.87799413  0.51529916  1.0\n  O  O100  1  0.12467637  0.36315326  0.31214994  1.0\n  O  O101  1  0.40026331  0.14636499  0.31135728  1.0\n", "composition": {"Na": 68.0, "O": 34.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-1245278"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.6804, "density": 2.008383844612405, "energy_above_hull": 0.1468921395098035, "formation_energy_per_atom": -1.2788465464097363, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0001696, "volume": 1742.3100036257097}, "record_id": "mp-1245278", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 12.260980683789194, "alpha": 87.85039574937217, "b": 11.131291457494875, "beta": 90.80304022075562, "c": 12.777933771235144, "gamma": 90.96239150835478, "matrix": [[12.26028603, -0.09838229, -0.08575964], [-0.09614703, 11.12874457, 0.21782919], [-0.08789762, 0.2285724, 12.77558688]], "pbc": [true, true, true], "volume": 1742.3100036257094}, "properties": {}, "sites": [{"abc": [0.70653087, 0.37059302, 0.42221532], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [8.589527415257477, 4.151231703067777, 5.414182647033169]}, {"abc": [0.47085816, 0.89858097, 0.0152399], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [5.685120278740448, 9.957237407065607, 0.35005520504436394]}, {"abc": [0.17622966, 0.29594357, 0.15655528], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.118411106756119, 3.3119267362294655, 2.0494373371026122]}, {"abc": [0.03492186, 0.15446782, 0.00410251], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.41293976931101495, 1.7165349410636022, 0.08306468690100421]}, {"abc": [0.80100495, 0.07514314, 0.72816658], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [9.749320899364436, 0.9238828927558063, 9.25042987907251]}, {"abc": [0.83963171, 0.51021603, 0.07133517], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [10.238798976849823, 5.611764234014349, 0.9504820932923009]}, {"abc": [0.40709427, 0.45795856, 0.43992674], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.908392322546612, 5.157008082142517, 5.685166771842275]}, {"abc": [0.82175687, 0.12661568, 0.28151369], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [10.038056168385678, 1.3925734983391813, 3.5536096221813596]}, {"abc": [0.2508994, 0.23602891, 0.39106433], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.01903130619085, 2.6914079054563853, 5.025973267645658]}, {"abc": [0.59326484, 0.49901534, 0.84403865], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [7.151428798553732, 5.687971441759279, 10.84091103135963]}, {"abc": [0.01752534, 0.89574483, 0.39569803], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0939615610549567, 10.057236878278218, 5.248890964426156]}, {"abc": [0.91446893, 0.77588555, 0.99383045], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [11.049696224857103, 8.771826765186294, 12.787353252625717]}, {"abc": [0.53181932, 0.05129884, 0.58875939], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [6.4635741992380025, 0.653144231324292, 7.487312489697699]}, {"abc": [0.14890039, 0.3383889, 0.71679376], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.7300218181237332, 3.915033742101404, 9.2184022920716]}, {"abc": [0.58268766, 0.66147173, 0.04573152], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [7.0762991437159455, 7.314476740382513, 0.6783637741142139]}, {"abc": [0.76994711, 0.88859329, 0.8549441], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [9.279188639237404, 10.008595215968095, 11.049943796720903]}, {"abc": [0.89702938, 0.3362517, 0.58707613], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [10.913904579240299, 3.787996875943401, 7.496558622738075]}, {"abc": [0.88953831, 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{"cif": "# generated using pymatgen\ndata_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.05411322\n_cell_length_b   6.05411323\n_cell_length_c   3.56878964\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00001513\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O\n_chemical_formula_sum   'Na6 O3'\n_cell_volume   113.27983111\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  Na  Na0  1  0.25031860  0.91708271  0.06696377  1.0\n  Na  Na1  1  0.66653825  0.07455843  0.56697559  1.0\n  Na  Na2  1  0.40802018  0.33346175  0.56697559  1.0\n  Na  Na3  1  0.08291729  0.33323589  0.06696377  1.0\n  Na  Na4  1  0.92544157  0.59197982  0.56697559  1.0\n  Na  Na5  1  0.66676411  0.74968140  0.06696377  1.0\n  O  O6  1  0.00000000  0.00000000  0.55364093  1.0\n  O  O7  1  0.66666700  0.33333300  0.06683998  1.0\n  O  O8  1  0.33333300  0.66666700  0.58269901  1.0\n", "composition": {"Na": 6.0, "O": 3.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-1974948"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.6124, "density": 2.7255985798114417, "energy_above_hull": 0.0736791477777774, "formation_energy_per_atom": -1.3520595381417624, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 113.27983110725594}, "record_id": "mp-1974948", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.054113224691856, "alpha": 90.0, "b": 6.054113225217503, "beta": 90.0, "c": 3.56878964, "gamma": 120.00001513481116, "matrix": [[3.02705611, -5.24301614, -0.0], [3.02705573, 5.24301636, -0.0], [-0.0, -0.0, 3.56878964]], "pbc": [true, true, true], "volume": 113.27983110725594}, "properties": {}, "sites": [{"abc": [0.2503186, 0.91708271, 0.06696377], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.5337889197660743, 3.4958551920609318, 0.23897960863134282]}, {"abc": [0.66653825, 0.07455843, 0.56697559], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.2433412049625114, -3.1037597344114403, 2.0234166117248873]}, {"abc": [0.40802018, 0.33346175, 0.56697559], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.244507279945627, -0.3909109785014748, 2.0234166117248873]}, {"abc": [0.08291729, 0.33323589, 0.06696377], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.2597188995852915, 1.3124245332540998, 0.23897960863134282]}, {"abc": [0.92544157, 0.59197982, 0.56697559], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.593319465091861, -1.7483452070870849, 2.0234166117248873]}, {"abc": [0.66676411, 0.7496814, 0.06696377], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.2876597506486345, 0.43473685468496903, 0.23897960863134282]}, {"abc": [0.0, 0.0, 0.55364093], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 1.9758280152639653]}, {"abc": [0.666667, 0.333333, 0.06683998], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0270559833334603, -1.7476754686774998, 0.23853782816180716]}, {"abc": [0.333333, 0.666667, 0.58269901], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.02705585666654, 1.7476756886775004, 2.079530190126256]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 2\"", "number": 150, "point_group": "32", "symbol": "P321", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Na2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.74047489\n_cell_length_b   3.74047489\n_cell_length_c   8.11392965\n_cell_angle_alpha   104.03773156\n_cell_angle_beta   75.96226844\n_cell_angle_gamma   119.85016760\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O\n_chemical_formula_sum   'Na4 O2'\n_cell_volume   94.51508033\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  Na  Na0  1  0.11181044  0.88818956  0.68142864  1.0\n  Na  Na1  1  0.29592058  0.70407942  0.10398655  1.0\n  Na  Na2  1  0.70407942  0.29592058  0.89601345  1.0\n  Na  Na3  1  0.88818956  0.11181044  0.31857136  1.0\n  O  O4  1  0.59303626  0.40696374  0.20881045  1.0\n  O  O5  1  0.40696374  0.59303626  0.79118955  1.0\n", "composition": {"Na": 4.0, "O": 2.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O", "identifiers": {"materials_project_id": "mp-1975297"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6666999999999998, "density": 2.1778206941990232, "energy_above_hull": 0.09812461166666742, "formation_energy_per_atom": -1.3276140742528726, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 94.51508033072895}, "record_id": "mp-1975297", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.740474886736338, "alpha": 104.0377315637154, "b": 3.740474886736338, "beta": 75.9622684362846, "c": 8.113929649286527, "gamma": 119.85016759909404, "matrix": [[3.23680423, 1.8744714, 0.02465209], [-3.23680423, 1.8744714, -0.02465209], [2.21492556, 0.0, 7.80576448]], "pbc": [true, true, true], "volume": 94.51508033072895}, "properties": {}, "sites": [{"abc": [0.11181044, 0.88818956, 0.68142864], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [-1.0036735076476393, 1.8744714000000002, 5.299932105826346]}, {"abc": [0.29592058, 0.70407942, 0.10398655], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [-1.0908077923326756, 1.8744714, 0.8016325499297684]}, {"abc": [0.70407942, 0.29592058, 0.89601345], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.305733352332676, 1.8744714, 7.004131930070231]}, {"abc": [0.88818956, 0.11181044, 0.31857136], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.2185990676476397, 1.8744714000000002, 2.5058323741736537]}, {"abc": [0.59303626, 0.40696374, 0.20881045], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0647799227228614, 1.8744714, 1.6345122701723829]}, {"abc": [0.40696374, 0.59303626, 0.79118955], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1501456372771388, 1.8744714, 6.1712522098276175]}], "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_Na2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.13536778\n_cell_length_b   6.13536773\n_cell_length_c   4.42487033\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000028\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O2\n_chemical_formula_sum   'Na6 O6'\n_cell_volume   144.24885607\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  Na  Na0  1  -0.00000000  0.70003756  0.50000000  1.0\n  Na  Na1  1  0.29996244  0.29996244  0.50000000  1.0\n  Na  Na2  1  0.70003756  0.00000000  0.50000000  1.0\n  Na  Na3  1  -0.00000000  0.36572569  -0.00000000  1.0\n  Na  Na4  1  0.63427431  0.63427431  -0.00000000  1.0\n  Na  Na5  1  0.36572569  0.00000000  -0.00000000  1.0\n  O  O6  1  0.66666700  0.33333300  0.32555400  1.0\n  O  O7  1  0.66666700  0.33333300  0.67444600  1.0\n  O  O8  1  0.33333300  0.66666700  0.67444600  1.0\n  O  O9  1  0.33333300  0.66666700  0.32555400  1.0\n  O  O10  1  -0.00000000  0.00000000  0.82767284  1.0\n  O  O11  1  -0.00000000  0.00000000  0.17232716  1.0\n", "composition": {"Na": 6.0, "O": 6.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O2", "identifiers": {"materials_project_id": "mp-2340"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.7714, "density": 2.6929727119810356, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.2980963948563222, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 144.24885606779526}, "record_id": "mp-2340", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.13536778, "alpha": 90.0, "b": 6.135367728869397, "beta": 90.0, "c": 4.42487033, "gamma": 120.00000027567813, "matrix": [[6.13536778, -0.0, 0.0], [-3.06768389, 5.3133843, -0.0], [0.0, -0.0, 4.42487033]], "pbc": [true, true, true], "volume": 144.24885606779526}, "properties": {}, "sites": [{"abc": [-0.0, 0.70003756, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [-2.147493945206908, 3.719568580714308, 2.212435165]}, {"abc": [0.29996244, 0.29996244, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.9201899447930916, 1.593815719285692, 2.212435165]}, {"abc": [0.70003756, 0.0, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.294987890413816, 0.0, 2.212435165]}, {"abc": [-0.0, 0.36572569, -0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [-1.1219308073721341, 1.943241139352667, 0.0]}, {"abc": [0.63427431, 0.63427431, -0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.945753082627866, 3.370143160647333, 0.0]}, {"abc": [0.36572569, 0.0, -0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.2438616147442683, 0.0, 0.0]}, {"abc": [0.666667, 0.333333, 0.325554], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0676869576838905, 1.7711263288719, 1.44053423541282]}, {"abc": [0.666667, 0.333333, 0.674446], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0676869576838905, 1.7711263288719, 2.98433609458718]}, {"abc": [0.333333, 0.666667, 0.674446], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.0676838900234316e-06, 3.5422579711281, 2.98433609458718]}, {"abc": [0.333333, 0.666667, 0.325554], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.0676838900234316e-06, 3.5422579711281, 1.44053423541282]}, {"abc": [-0.0, 0.0, 0.82767284], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 3.6623449926628373]}, {"abc": [-0.0, 0.0, 0.17232716], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.7625253373371629]}], "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_Na2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.88653000\n_cell_length_b   2.88653000\n_cell_length_c   2.88653000\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   Na2O2\n_chemical_formula_sum   'Na1 O1'\n_cell_volume   24.05072799\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  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Na": 1.0, "O": 1.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O2", "identifiers": {"materials_project_id": "mp-1061395"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.691936762836975, "energy_above_hull": 0.24188235166666683, "formation_energy_per_atom": -1.0562140431896552, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 0.999826, "volume": 24.050727991821077}, "record_id": "mp-1061395", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.88653, "alpha": 90.0, "b": 2.88653, "beta": 90.0, "c": 2.88653, "gamma": 90.0, "matrix": [[2.88653, 0.0, 0.0], [0.0, 2.88653, 0.0], [0.0, 0.0, 2.88653]], "pbc": [true, true, true], "volume": 24.050727991821077}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Na", "properties": {"magmom": -0.01}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "O", "properties": {"magmom": 0.843}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.443265, 1.443265, 1.443265]}], "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_Na2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.62783278\n_cell_length_b   4.62783278\n_cell_length_c   3.51758600\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   137.72742916\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O2\n_chemical_formula_sum   'Na2 O2'\n_cell_volume   50.67509589\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  Na  Na0  1  0.12309900  0.87690100  0.75000000  1.0\n  Na  Na1  1  0.87690100  0.12309900  0.25000000  1.0\n  O  O2  1  0.40614000  0.59386000  0.75000000  1.0\n  O  O3  1  0.59386000  0.40614000  0.25000000  1.0\n", "composition": {"Na": 2.0, "O": 2.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O2", "identifiers": {"materials_project_id": "mp-1094115"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.555221168176407, "energy_above_hull": 0.21363644166666695, "formation_energy_per_atom": -1.084459953189655, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 1.999909, "volume": 50.67509588642052}, "record_id": "mp-1094115", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.627832775839033, "alpha": 90.0, "b": 4.627832775839033, "beta": 90.0, "c": 3.517586, "gamma": 137.7274291609555, "matrix": [[1.668739, -4.316497, 0.0], [1.668739, 4.316497, 0.0], [0.0, 0.0, 3.517586]], "pbc": [true, true, true], "volume": 50.67509588642052}, "properties": {}, "sites": [{"abc": [0.123099, 0.876901, 0.75], "label": "Na", "properties": {"magmom": -0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.6687390000000002, 3.2537840715940005, 2.6381895]}, {"abc": [0.876901, 0.123099, 0.25], "label": "Na", "properties": {"magmom": -0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.6687390000000002, -3.2537840715940005, 0.8793965]}, {"abc": [0.40614, 0.59386, 0.75], "label": "O", "properties": {"magmom": 0.82}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.668739, 0.8102928168400003, 2.6381895]}, {"abc": [0.59386, 0.40614, 0.25], "label": "O", "properties": {"magmom": 0.82}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.668739, -0.8102928168400003, 0.8793965]}], "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_Na2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.00654700\n_cell_length_b   5.52596800\n_cell_length_c   6.37008400\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   Na2O2\n_chemical_formula_sum   'Na4 O4'\n_cell_volume   105.83310119\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  Na  Na0  1  0.81947400  0.75000000  0.50000000  1.0\n  Na  Na1  1  0.18052600  0.25000000  0.00000000  1.0\n  Na  Na2  1  0.18052600  0.25000000  0.50000000  1.0\n  Na  Na3  1  0.81947400  0.75000000  0.00000000  1.0\n  O  O4  1  0.32880700  0.93348700  0.75000000  1.0\n  O  O5  1  0.67119300  0.06651300  0.25000000  1.0\n  O  O6  1  0.32880700  0.56651300  0.25000000  1.0\n  O  O7  1  0.67119300  0.43348700  0.75000000  1.0\n", "composition": {"Na": 4.0, "O": 4.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O2", "identifiers": {"materials_project_id": "mp-1180226"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.44698636353684, "energy_above_hull": 0.279256527916667, "formation_energy_per_atom": -1.018839866939655, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 4.0010111, "volume": 105.83310118753056}, "record_id": "mp-1180226", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.006547, "alpha": 90.0, "b": 5.525968, "beta": 90.0, "c": 6.370084, "gamma": 90.0, "matrix": [[3.006547, 0.0, 0.0], [0.0, 5.525968, 0.0], [0.0, 0.0, 6.370084]], "pbc": [true, true, true], "volume": 105.83310118753056}, "properties": {}, "sites": [{"abc": [0.819474, 0.75, 0.5], "label": "Na", "properties": {"magmom": -0.006}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.463787096278, 4.144476, 3.185042]}, {"abc": [0.180526, 0.25, 0.0], "label": "Na", "properties": {"magmom": -0.006}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.542759903722, 1.381492, 0.0]}, {"abc": [0.180526, 0.25, 0.5], "label": "Na", "properties": {"magmom": -0.006}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.542759903722, 1.381492, 3.185042]}, {"abc": [0.819474, 0.75, 0.0], "label": "Na", "properties": {"magmom": -0.006}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.463787096278, 4.144476, 0.0]}, {"abc": [0.328807, 0.933487, 0.75], "label": "O", "properties": {"magmom": 0.818}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.988573699429, 5.158419290415999, 4.777563000000001]}, {"abc": [0.671193, 0.066513, 0.25], "label": "O", "properties": {"magmom": 0.818}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.017973300571, 0.367548709584, 1.592521]}, {"abc": [0.328807, 0.566513, 0.25], "label": "O", "properties": {"magmom": 0.818}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.988573699429, 3.130532709584, 1.592521]}, {"abc": [0.671193, 0.433487, 0.75], "label": "O", "properties": {"magmom": 0.818}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.017973300571, 2.395435290416, 4.777563000000001]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2c 2b", "number": 57, "point_group": "mmm", "symbol": "Pbcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Na2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.95553024\n_cell_length_b   2.95553024\n_cell_length_c   2.96992548\n_cell_angle_alpha   81.31322019\n_cell_angle_beta   81.31322019\n_cell_angle_gamma   81.36223490\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O2\n_chemical_formula_sum   'Na1 O1'\n_cell_volume   25.13470165\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  Na  Na0  1  0.00000000  0.00000000  0.50000000  1.0\n  O  O1  1  0.50000000  0.50000000  0.00000000  1.0\n", "composition": {"Na": 1.0, "O": 1.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O2", "identifiers": {"materials_project_id": "mp-1237667"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.575842743177271, "energy_above_hull": 0.254860971666667, "formation_energy_per_atom": -1.043235423189655, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 0.9992167, "volume": 25.13470165275528}, "record_id": "mp-1237667", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.955530240132894, "alpha": 81.31322018538165, "b": 2.955530240132894, "beta": 81.31322018538165, "c": 2.9699254846108514, "gamma": 81.36223490097609, "matrix": [[2.241324, 1.926558, 0.0], [2.241324, -1.926558, 0.0], [0.59149, 0.0, -2.910429]], "pbc": [true, true, true], "volume": 25.13470165275528}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.5], "label": "Na", "properties": {"magmom": -0.009}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.295745, 0.0, -1.4552145]}, {"abc": [0.5, 0.5, 0.0], "label": "O", "properties": {"magmom": 0.835}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.241324, 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_Na2O9\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   11.25989800\n_cell_length_b   5.20280400\n_cell_length_c   12.77579791\n_cell_angle_alpha   71.80262856\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O9\n_chemical_formula_sum   'Na8 O36'\n_cell_volume   711.01266027\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  Na  Na0  1  0.11631400  0.81879500  0.59938300  1.0\n  Na  Na1  1  0.61631400  0.18120500  0.90061700  1.0\n  Na  Na2  1  0.88368600  0.18120500  0.40061700  1.0\n  Na  Na3  1  0.38368600  0.81879500  0.09938300  1.0\n  Na  Na4  1  0.67580100  0.87928800  0.66993800  1.0\n  Na  Na5  1  0.17580100  0.12071200  0.83006200  1.0\n  Na  Na6  1  0.32419900  0.12071200  0.33006200  1.0\n  Na  Na7  1  0.82419900  0.87928800  0.16993800  1.0\n  O  O8  1  0.92016300  0.96905700  0.59827400  1.0\n  O  O9  1  0.42016300  0.03094300  0.90172600  1.0\n  O  O10  1  0.07983700  0.03094300  0.40172600  1.0\n  O  O11  1  0.57983700  0.96905700  0.09827400  1.0\n  O  O12  1  0.41360300  0.01472000  0.80232200  1.0\n  O  O13  1  0.91360300  0.98528000  0.69767800  1.0\n  O  O14  1  0.58639700  0.98528000  0.19767800  1.0\n  O  O15  1  0.08639700  0.01472000  0.30232200  1.0\n  O  O16  1  0.76786400  0.74718600  0.87958200  1.0\n  O  O17  1  0.26786400  0.25281400  0.62041800  1.0\n  O  O18  1  0.23213600  0.25281400  0.12041800  1.0\n  O  O19  1  0.73213600  0.74718600  0.37958200  1.0\n  O  O20  1  0.04922600  0.32054600  0.57226100  1.0\n  O  O21  1  0.54922600  0.67945400  0.92773900  1.0\n  O  O22  1  0.95077400  0.67945400  0.42773900  1.0\n  O  O23  1  0.45077400  0.32054600  0.07226100  1.0\n  O  O24  1  0.44300600  0.99847100  0.50368400  1.0\n  O  O25  1  0.94300600  0.00152900  0.99631600  1.0\n  O  O26  1  0.55699400  0.00152900  0.49631600  1.0\n  O  O27  1  0.05699400  0.99847100  0.00368400  1.0\n  O  O28  1  0.21251800  0.69301400  0.80382600  1.0\n  O  O29  1  0.71251800  0.30698600  0.69617400  1.0\n  O  O30  1  0.78748200  0.30698600  0.19617400  1.0\n  O  O31  1  0.28748200  0.69301400  0.30382600  1.0\n  O  O32  1  0.61080000  0.43409100  0.68198400  1.0\n  O  O33  1  0.11080000  0.56590900  0.81801600  1.0\n  O  O34  1  0.38920000  0.56590900  0.31801600  1.0\n  O  O35  1  0.88920000  0.43409100  0.18198400  1.0\n  O  O36  1  0.86704900  0.66833300  0.92192400  1.0\n  O  O37  1  0.36704900  0.33166700  0.57807600  1.0\n  O  O38  1  0.13295100  0.33166700  0.07807600  1.0\n  O  O39  1  0.63295100  0.66833300  0.42192400  1.0\n  O  O40  1  0.52302500  0.70184800  0.82738900  1.0\n  O  O41  1  0.02302500  0.29815200  0.67261100  1.0\n  O  O42  1  0.47697500  0.29815200  0.17261100  1.0\n  O  O43  1  0.97697500  0.70184800  0.32738900  1.0\n", "composition": {"Na": 8.0, "O": 36.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O9", "identifiers": {"materials_project_id": "mp-1204051"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.77470527203025, "energy_above_hull": 0.013285430454545555, "formation_energy_per_atom": -0.4818392943416928, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 19.9928853, "volume": 711.0126602653702}, "record_id": "mp-1204051", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 11.259898, "alpha": 71.80262856351094, "b": 5.202804, "beta": 90.0, "c": 12.77579790760628, "gamma": 90.0, "matrix": [[11.259898, 0.0, 0.0], [0.0, 5.202804, 0.0], [0.0, 3.989771, 12.136834]], "pbc": [true, true, true], "volume": 711.0126602653702}, "properties": {}, "sites": [{"abc": [0.116314, 0.818795, 0.599383], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.309683775972, 6.651430812473, 7.274611973422]}, {"abc": [0.616314, 0.181205, 0.900617], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [6.939632775972, 4.536029687527, 10.930639026578]}, {"abc": [0.883686, 0.181205, 0.400617], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [9.950214224027999, 2.541144187527, 4.862222026578]}, {"abc": [0.383686, 0.818795, 0.099383], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.320265224028001, 4.656545312473, 1.206194973422]}, {"abc": [0.675801, 0.879288, 0.669938], "label": "Na", "properties": {"magmom": 0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [7.609450328297999, 7.247662327750001, 8.130926296292001]}, {"abc": [0.175801, 0.120712, 0.830062], "label": "Na", "properties": {"magmom": 0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.979501328298, 3.9397981722499997, 10.074324703708]}, {"abc": [0.324199, 0.120712, 0.330062], "label": "Na", "properties": {"magmom": 0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.650447671702, 1.94491267225, 4.005907703708]}, {"abc": [0.824199, 0.879288, 0.169938], "label": "Na", "properties": {"magmom": 0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [9.280396671702, 5.252776827750001, 2.062509296292]}, {"abc": [0.920163, 0.969057, 0.598274], "label": "O", "properties": {"magmom": 0.152}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.360941523373999, 7.428789891082, 7.261152224516]}, {"abc": [0.420163, 0.030943, 0.901726], "label": "O", "properties": {"magmom": 0.152}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.730992523374, 3.7586706089180004, 10.944098775484001]}, {"abc": [0.079837, 0.030943, 0.401726], "label": "O", "properties": {"magmom": 0.152}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8989564766260001, 1.7637851089180003, 4.875681775484001]}, {"abc": [0.579837, 0.969057, 0.098274], "label": "O", "properties": {"magmom": 0.152}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.528905476626, 5.433904391082001, 1.1927352245160001]}, {"abc": [0.413603, 0.01472, 0.802322], "label": "O", "properties": {"magmom": 0.215}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.657127592494, 3.2776663231420002, 9.737648928548]}, {"abc": [0.913603, 0.98528, 0.697678], "label": "O", "properties": {"magmom": 0.215}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.287076592494, 7.909794176858002, 8.467602071452001]}, {"abc": [0.586397, 0.98528, 0.197678], "label": "O", "properties": {"magmom": 0.215}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.602770407505999, 5.914908676858001, 2.399185071452]}, {"abc": [0.086397, 0.01472, 0.302322], "label": "O", "properties": {"magmom": 0.215}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.972821407506, 1.282780823142, 3.6692319285479997]}, {"abc": [0.767864, 0.747186, 0.879582], "label": "O", "properties": {"magmom": 0.638}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.646070317871999, 7.396793065266, 10.675340723388]}, {"abc": [0.267864, 0.252814, 0.620418], "label": "O", "properties": {"magmom": 0.638}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.016121317872, 3.7906674347340004, 7.529910276612]}, {"abc": [0.232136, 0.252814, 0.120418], "label": "O", "properties": {"magmom": 0.638}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.613827682128, 1.795781934734, 1.461493276612]}, {"abc": [0.732136, 0.747186, 0.379582], "label": "O", "properties": {"magmom": 0.638}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.243776682128, 5.401907565266001, 4.606923723388]}, {"abc": [0.049226, 0.320546, 0.572261], "label": "O", "properties": {"magmom": 0.284}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.554279738948, 3.9509283532150006, 6.945436761674]}, {"abc": [0.549226, 0.679454, 0.927739], "label": "O", "properties": {"magmom": 0.284}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.184228738948, 7.236532146785001, 11.259814238326]}, {"abc": [0.950774, 0.679454, 0.427739], "label": "O", "properties": {"magmom": 0.284}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.705618261051999, 5.241646646785, 5.191397238326]}, {"abc": [0.450774, 0.320546, 0.072261], "label": "O", "properties": {"magmom": 0.284}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.075669261052, 1.956042853215, 0.8770197616740001]}, {"abc": [0.443006, 0.998471, 0.503684], "label": "O", "properties": {"magmom": 0.664}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.988202373388, 7.204432729048001, 6.113129096456]}, {"abc": [0.943006, 0.001529, 0.996316], "label": "O", "properties": {"magmom": 0.664}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.618151373388, 3.9830277709520003, 12.092121903544]}, {"abc": [0.556994, 0.001529, 0.496316], "label": "O", "properties": {"magmom": 0.664}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.271695626612, 1.988142270952, 6.023704903544]}, {"abc": [0.056994, 0.998471, 0.003684], "label": "O", "properties": {"magmom": 0.664}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.641746626612, 5.209547229048001, 0.044712096456]}, {"abc": [0.212518, 0.693014, 0.803826], "label": "O", "properties": {"magmom": 0.552}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.392931003164, 6.812697675102001, 9.755902726884]}, {"abc": [0.712518, 0.306986, 0.696174], "label": "O", "properties": {"magmom": 0.552}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.022880003164, 4.374762824898, 8.449348273116]}, {"abc": [0.787482, 0.306986, 0.196174], "label": "O", "properties": {"magmom": 0.552}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.866966996836, 2.379877324898, 2.380931273116]}, {"abc": [0.287482, 0.693014, 0.303826], "label": "O", "properties": {"magmom": 0.552}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.2370179968360002, 4.817812175102, 3.687485726884]}, {"abc": [0.6108, 0.434091, 0.681984], "label": "O", "properties": {"magmom": 0.603}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.8775456984, 4.979450376828001, 8.277126598656]}, {"abc": [0.1108, 0.565909, 0.818016], "label": "O", "properties": {"magmom": 0.603}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2475966984, 6.208010123172, 9.928124401344]}, {"abc": [0.3892, 0.565909, 0.318016], "label": "O", "properties": {"magmom": 0.603}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.3823523016, 4.213124623172, 3.8597074013440005]}, {"abc": [0.8892, 0.434091, 0.181984], "label": "O", "properties": {"magmom": 0.603}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.012301301599999, 2.984564876828, 2.208709598656]}, {"abc": [0.867049, 0.668333, 0.921924], "label": "O", "properties": {"magmom": 0.78}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.762883301001999, 7.155471245136001, 11.189238548616]}, {"abc": [0.367049, 0.331667, 0.578076], "label": "O", "properties": {"magmom": 0.78}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.132934301002, 4.031989254864, 7.016012451384]}, {"abc": [0.132951, 0.331667, 0.078076], "label": "O", "properties": {"magmom": 0.78}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4970146989980002, 2.037103754864, 0.9475954513840001]}, {"abc": [0.632951, 0.668333, 0.421924], "label": "O", "properties": {"magmom": 0.78}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.126963698998, 5.160585745136, 5.120821548616]}, {"abc": [0.523025, 0.701848, 0.827389], "label": "O", "properties": {"magmom": 0.229}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.889208151449999, 6.952670219711001, 10.041882946426]}, {"abc": [0.023025, 0.298152, 0.672611], "label": "O", "properties": {"magmom": 0.229}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.25925915145, 4.234790280288999, 8.163368053574]}, {"abc": [0.476975, 0.298152, 0.172611], "label": "O", "properties": {"magmom": 0.229}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.37068984855, 2.2399047802889998, 2.094951053574]}, {"abc": [0.976975, 0.701848, 0.327389], "label": "O", "properties": {"magmom": 0.229}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.00063884855, 4.957784719711, 3.973465946426]}], "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_Na2O9\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   11.18499550\n_cell_length_b   5.46933299\n_cell_length_c   12.68761398\n_cell_angle_alpha   66.46267878\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na2O9\n_chemical_formula_sum   'Na8 O36'\n_cell_volume   711.58176149\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  Na  Na0  1  0.05302828  0.74179757  0.59400433  1.0\n  Na  Na1  1  0.55302828  0.25820243  0.90599567  1.0\n  Na  Na2  1  0.94697172  0.25820243  0.40599567  1.0\n  Na  Na3  1  0.44697172  0.74179757  0.09400433  1.0\n  Na  Na4  1  0.68053181  0.87225987  0.68066481  1.0\n  Na  Na5  1  0.18053181  0.12774013  0.81933519  1.0\n  Na  Na6  1  0.31946819  0.12774013  0.31933519  1.0\n  Na  Na7  1  0.81946819  0.87225987  0.18066481  1.0\n  O  O8  1  0.85514040  0.95751345  0.57104711  1.0\n  O  O9  1  0.35514040  0.04248655  0.92895289  1.0\n  O  O10  1  0.14485960  0.04248655  0.42895289  1.0\n  O  O11  1  0.64485960  0.95751345  0.07104711  1.0\n  O  O12  1  0.38113204  0.19107439  0.82038409  1.0\n  O  O13  1  0.88113204  0.80892561  0.67961591  1.0\n  O  O14  1  0.61886796  0.80892561  0.17961591  1.0\n  O  O15  1  0.11886796  0.19107439  0.32038409  1.0\n  O  O16  1  0.78017830  0.54173307  0.89695819  1.0\n  O  O17  1  0.28017830  0.45826693  0.60304181  1.0\n  O  O18  1  0.21982170  0.45826693  0.10304181  1.0\n  O  O19  1  0.71982170  0.54173307  0.39695819  1.0\n  O  O20  1  0.04572991  0.27819580  0.57437148  1.0\n  O  O21  1  0.54572991  0.72180420  0.92562852  1.0\n  O  O22  1  0.95427009  0.72180420  0.42562852  1.0\n  O  O23  1  0.45427009  0.27819580  0.07437148  1.0\n  O  O24  1  0.45265685  0.03289571  0.47226043  1.0\n  O  O25  1  0.95265685  0.96710429  0.02773957  1.0\n  O  O26  1  0.54734315  0.96710429  0.52773957  1.0\n  O  O27  1  0.04734315  0.03289571  0.97226043  1.0\n  O  O28  1  0.21577571  0.70586996  0.81791666  1.0\n  O  O29  1  0.71577571  0.29413004  0.68208334  1.0\n  O  O30  1  0.78422429  0.29413004  0.18208334  1.0\n  O  O31  1  0.28422429  0.70586996  0.31791666  1.0\n  O  O32  1  0.63614523  0.41553241  0.71432395  1.0\n  O  O33  1  0.13614523  0.58446759  0.78567605  1.0\n  O  O34  1  0.36385477  0.58446759  0.28567605  1.0\n  O  O35  1  0.86385477  0.41553241  0.21432395  1.0\n  O  O36  1  0.88498877  0.51089988  0.92885014  1.0\n  O  O37  1  0.38498877  0.48910012  0.57114986  1.0\n  O  O38  1  0.11501123  0.48910012  0.07114986  1.0\n  O  O39  1  0.61501123  0.51089988  0.42885014  1.0\n  O  O40  1  0.53257893  0.73630911  0.82304095  1.0\n  O  O41  1  0.03257893  0.26369089  0.67695905  1.0\n  O  O42  1  0.46742107  0.26369089  0.17695905  1.0\n  O  O43  1  0.96742107  0.73630911  0.32304095  1.0\n", "composition": {"Na": 8.0, "O": 36.0}, "description": "", "elements": ["Na", "O"], "formula": "Na2O9", "identifiers": {"materials_project_id": "mp-3346762"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.016500000000000015, "density": 1.7732859172816846, "energy_above_hull": 0.07730981238636314, "formation_energy_per_atom": -0.39900221715909046, "is_stable": false, "ordering": "FiM", "theoretical": true, "total_magnetization": 15.9999992, "volume": 711.5817614947899}, "record_id": "mp-3346762", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 11.184995497578448, "alpha": 66.46267877958218, "b": 5.469332988240188, "beta": 90.0, "c": 12.687613979603933, "gamma": 90.0, "matrix": [[11.184995497578448, 0.0, 0.0], [0.0, 5.466202408010351, 0.1850258655274506], [0.0, 4.670344799747887, 11.796754975284898]], "pbc": [true, true, true], "volume": 711.5817614947899}, "properties": {}, "sites": [{"abc": [0.0530282844688715, 0.7417975672376831, 0.5940043312933291], "label": "Na", "properties": {"magmom": -0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.5931211230286368, 6.829020687974364, 7.144575287449668]}, {"abc": [0.5530282844688645, 0.258202432762317, 0.9059956687066709], "label": "Na", "properties": {"magmom": -0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [6.185618871817783, 5.642698919657818, 10.73558304100513]}, {"abc": [0.9469717155311284, 0.258202432762317, 0.4059956687066709], "label": "Na", "properties": {"magmom": -0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [10.59187437454981, 3.3075265197838744, 4.83720555336268]}, {"abc": [0.4469717155311287, 0.7417975672376831, 0.0940043312933292], "label": "Na", "properties": {"magmom": -0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.99937662576059, 4.493848288100422, 1.2461977998072207]}, {"abc": [0.6805318107948982, 0.8722598665806538, 0.6806648054994777], "label": "Na", "properties": {"magmom": -0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [7.611745239699845, 7.946888317849849, 8.191026567556234]}, {"abc": [0.1805318107949052, 0.1277401334193392, 0.8193351945005223], "label": "Na", "properties": {"magmom": -0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.019247490910699, 4.524831289782293, 9.689131760898562]}, {"abc": [0.3194681892050949, 0.1277401334193393, 0.3193351945005223], "label": "Na", "properties": {"magmom": -0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.5732502578785263, 2.1896588899083502, 3.790754273256112]}, {"abc": [0.8194681892051018, 0.8722598665806538, 0.1806648054994777], "label": "Na", "properties": {"magmom": -0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [9.165748006667828, 5.611715917975906, 2.292649079913786]}, {"abc": [0.8551404015281591, 0.95751344755688, 0.5710471125634716], "label": "O", "properties": {"magmom": 0.445}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.564741540889885, 7.900949225309566, 6.9136676206435945]}, {"abc": [0.3551404015281591, 0.04248655244312, 0.9289528874365284], "label": "O", "properties": {"magmom": 0.445}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.972243792100662, 4.570770382322615, 10.966490707811204]}, {"abc": [0.1448595984718408, 0.04248655244312, 0.4289528874365285], "label": "O", "properties": {"magmom": 0.445}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6202539566885612, 2.235597982448672, 5.068113220168756]}, {"abc": [0.6448595984718409, 0.95751344755688, 0.0710471125634715], "label": "O", "properties": {"magmom": 0.445}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.212751705477787, 5.565776825435623, 1.0152901330011435]}, {"abc": [0.3811320378964374, 0.1910743879820553, 0.8203840890017411], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.262960127854551, 4.875927843561804, 9.713223787592366]}, {"abc": [0.8811320378964375, 0.8089256120179446, 0.6796159109982589], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.855457876643776, 7.595791764070376, 8.166934540862432]}, {"abc": [0.6188679621035625, 0.8089256120179446, 0.1796159109982514], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.922035369723897, 5.260619364196398, 2.2685570532198946]}, {"abc": [0.1188679621035626, 0.1910743879820553, 0.3203840890017484], "label": "O", "properties": {"magmom": 0.514}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.3295376209346732, 2.5407554436878943, 3.814846299950003]}, {"abc": [0.7801783007537764, 0.5417330658470677, 0.896958194844925], "label": "O", "properties": {"magmom": 0.769}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.726290781239394, 7.150326629917319, 10.681430677052624]}, {"abc": [0.2801783007537765, 0.4582669341529321, 0.603041805155075], "label": "O", "properties": {"magmom": 0.769}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.1337930324501704, 5.321392977714861, 7.198727651402174]}, {"abc": [0.2198216992462305, 0.4582669341529321, 0.103041805155075], "label": "O", "properties": {"magmom": 0.769}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.458704716339132, 2.986220577840918, 1.3003501637597255]}, {"abc": [0.7198216992462236, 0.5417330658470677, 0.396958194844925], "label": "O", "properties": {"magmom": 0.769}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.051202465128279, 4.815154230043375, 4.783053189410174]}, {"abc": [0.0457299132384342, 0.278195800833923, 0.5743714767716778], "label": "O", "properties": {"magmom": -0.657}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5114888736765396, 4.203187396080877, 6.827192995103423]}, {"abc": [0.5457299132384344, 0.7218041991660772, 0.9256285232283222], "label": "O", "properties": {"magmom": -0.657}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.103986622465767, 8.268532211551305, 11.052965333351375]}, {"abc": [0.9542700867615656, 0.7218041991660772, 0.425628523228315], "label": "O", "properties": {"magmom": -0.657}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.673506623901906, 5.933359811677327, 5.154587845708841]}, {"abc": [0.4542700867615587, 0.278195800833923, 0.0743714767716779], "label": "O", "properties": {"magmom": -0.657}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.081008875112605, 1.8680149962069343, 0.9288155074609753]}, {"abc": [0.4526568522692181, 0.0328957114194439, 0.4722604326437231], "label": "O", "properties": {"magmom": 0.724}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.062964854579238, 2.3854336726984773, 5.577227165897562]}, {"abc": [0.9526568522692183, 0.9671042885805561, 0.0277395673562768], "label": "O", "properties": {"magmom": 0.724}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.655462603368463, 5.415941135185816, 0.5061761872723356]}, {"abc": [0.5473431477307817, 0.9671042885805561, 0.5277395673562767], "label": "O", "properties": {"magmom": 0.724}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.122030642999209, 7.751113535059759, 6.404553674914784]}, {"abc": [0.0473431477307748, 0.0328957114194439, 0.9722604326437233], "label": "O", "properties": {"magmom": 0.724}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5295328942099075, 4.720606072572421, 11.475604653540014]}, {"abc": [0.2157757087420276, 0.7058699588302949, 0.8179166604899513], "label": "O", "properties": {"magmom": 0.662}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.413450330766377, 7.678380890646727, 9.779366634085642]}, {"abc": [0.7157757087420274, 0.2941300411697052, 0.6820833395100487], "label": "O", "properties": {"magmom": 0.662}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.0059480795556, 4.793338716985454, 8.100791694369155]}, {"abc": [0.7842242912579726, 0.2941300411697052, 0.1820833395100557], "label": "O", "properties": {"magmom": 0.662}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.771545166812073, 2.4581663171115435, 2.2024142067267882]}, {"abc": [0.2842242912579652, 0.7058699588302949, 0.3179166604899442], "label": "O", "properties": {"magmom": 0.662}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.179047418022767, 5.343208490772751, 3.8809891464431105]}, {"abc": [0.6361452254826333, 0.4155324098032725, 0.7143239520714428], "label": "O", "properties": {"magmom": 0.626}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.11528148282928, 5.607523413965214, 8.503588879342523]}, {"abc": [0.1361452254826334, 0.5844675901967273, 0.7856760479285572], "label": "O", "properties": {"magmom": 0.626}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5227837340400572, 6.864196193666967, 9.376569449112274]}, {"abc": [0.3638547745173737, 0.5844675901967273, 0.2856760479285639], "label": "O", "properties": {"magmom": 0.626}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.0697140147492465, 4.529023793793054, 3.4781919614699057]}, {"abc": [0.8638547745173667, 0.4155324098032725, 0.2143239520714431], "label": "O", "properties": {"magmom": 0.626}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.662211763538393, 3.2723510140912717, 2.6052113917000765]}, {"abc": [0.8849887664648866, 0.510899875655658, 0.9288501413234741], "label": "O", "properties": {"magmom": 0.823}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.898595368317261, 7.130732557836323, 11.051947217642828]}, {"abc": [0.3849887664648863, 0.489100124344342, 0.5711498586765188], "label": "O", "properties": {"magmom": 0.823}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.306097619528034, 5.3409870497958245, 6.8282111108118855]}, {"abc": [0.1150112335351137, 0.489100124344342, 0.0711498586765258], "label": "O", "properties": {"magmom": 0.823}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2864001292611902, 3.0058146499219136, 0.9298336231695188]}, {"abc": [0.6150112335351134, 0.510899875655658, 0.4288501413234743], "label": "O", "properties": {"magmom": 0.823}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.878897878050411, 4.795560157962381, 5.153569730000383]}, {"abc": [0.5325789258692143, 0.7363091080888571, 0.8230409530390524], "label": "O", "properties": {"magmom": -0.561}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.956892887952328, 7.868699654680747, 9.845448687646552]}, {"abc": [0.0325789258692144, 0.2636908919111433, 0.6769590469609476], "label": "O", "properties": {"magmom": -0.561}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.36439513916310506, 4.603019952951436, 8.034709640808245]}, {"abc": [0.4674210741307855, 0.2636908919111433, 0.1769590469609476], "label": "O", "properties": {"magmom": -0.561}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.228102609626118, 2.2678475530774924, 2.1363321531657973]}, {"abc": [0.9674210741307786, 0.7363091080888571, 0.3230409530390524], "label": "O", "properties": {"magmom": -0.561}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.820600358415264, 5.5335272548068035, 3.9470712000041024]}], "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_Na6O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   10.50587739\n_cell_length_b   10.50587739\n_cell_length_c   11.25140500\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   143.17346934\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na6O\n_chemical_formula_sum   'Na18 O3'\n_cell_volume   744.36171940\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  Na  Na0  1  0.67133000  0.32867000  0.01194100  1.0\n  Na  Na1  1  0.82189500  0.63018700  0.25615300  1.0\n  Na  Na2  1  0.00000000  0.50000000  0.24184500  1.0\n  Na  Na3  1  0.16755400  0.83244600  0.50592100  1.0\n  Na  Na4  1  0.00000000  0.50000000  0.74665600  1.0\n  Na  Na5  1  0.15462800  0.30853100  0.75667000  1.0\n  Na  Na6  1  0.32867000  0.67133000  0.01194100  1.0\n  Na  Na7  1  0.30853100  0.15462800  0.75667000  1.0\n  Na  Na8  1  0.50000000  0.00000000  0.74665600  1.0\n  Na  Na9  1  0.17810500  0.36981300  0.25615300  1.0\n  Na  Na10  1  0.36981300  0.17810500  0.25615300  1.0\n  Na  Na11  1  0.50000000  0.00000000  0.24184500  1.0\n  Na  Na12  1  0.50000000  0.50000000  0.50109300  1.0\n  Na  Na13  1  0.63018700  0.82189500  0.25615300  1.0\n  Na  Na14  1  0.83244600  0.16755400  0.50592100  1.0\n  Na  Na15  1  0.69146900  0.84537200  0.75667000  1.0\n  Na  Na16  1  0.84537200  0.69146900  0.75667000  1.0\n  Na  Na17  1  0.00000000  0.00000000  0.99887700  1.0\n  O  O18  1  0.67557500  0.32442500  0.20678800  1.0\n  O  O19  1  0.32442500  0.67557500  0.20678800  1.0\n  O  O20  1  0.00000000  0.00000000  0.80443700  1.0\n", "composition": {"Na": 18.0, "O": 3.0}, "description": "", "elements": ["Na", "O"], "formula": "Na6O", "identifiers": {"materials_project_id": "mp-1173794"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.0302252892643398, "energy_above_hull": 0.15543162064039384, "formation_energy_per_atom": -0.4555992447536947, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0067434, "volume": 744.3617193998176}, "record_id": "mp-1173794", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 10.505877392609007, "alpha": 90.0, "b": 10.505877392609007, "beta": 90.0, "c": 11.251405, "gamma": 143.17346933876638, "matrix": [[3.318478, -9.968007, 0.0], [3.318478, 9.968007, 0.0], [0.0, 0.0, 11.251405]], "pbc": [true, true, true], "volume": 744.3617193998176}, "properties": {}, "sites": [{"abc": [0.67133, 0.32867, 0.011941], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.318478, -3.4156372786199998, 0.134353027105]}, {"abc": [0.821895, 0.630187, 0.256153], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.818702171196, -1.9109466859560005, 2.8820811449650003]}, {"abc": [0.0, 0.5, 0.241845], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.659239, 4.9840035, 2.721096042225]}, {"abc": [0.167554, 0.832446, 0.505921], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.318478, 6.6276481102439995, 5.692322069005]}, {"abc": [0.0, 0.5, 0.746656], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.659239, 4.9840035, 8.40092905168]}, {"abc": [0.154628, 0.308531, 0.75667], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.536982952002, 1.5341061813210002, 8.51360062135]}, {"abc": [0.32867, 0.67133, 0.011941], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.318478, 3.4156372786199998, 0.134353027105]}, {"abc": [0.308531, 0.154628, 0.75667], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.536982952002, -1.5341061813210002, 8.51360062135]}, {"abc": [0.5, 0.0, 0.746656], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.659239, -4.9840035, 8.40092905168]}, {"abc": [0.178105, 0.369813, 0.256153], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.818253828804, 1.910946685956, 2.8820811449650003]}, {"abc": [0.369813, 0.178105, 0.256153], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.818253828804, -1.910946685956, 2.8820811449650003]}, {"abc": [0.5, 0.0, 0.241845], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.659239, -4.9840035, 2.721096042225]}, {"abc": [0.5, 0.5, 0.501093], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.318478, 0.0, 5.638000285665]}, {"abc": [0.630187, 0.821895, 0.256153], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.818702171196, 1.9109466859560005, 2.8820811449650003]}, {"abc": [0.832446, 0.167554, 0.505921], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.318478, -6.6276481102439995, 5.692322069005]}, {"abc": [0.691469, 0.845372, 0.75667], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [5.099973047998, 1.5341061813209995, 8.51360062135]}, {"abc": [0.845372, 0.691469, 0.75667], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [5.099973047998, -1.5341061813209995, 8.51360062135]}, {"abc": [0.0, 0.0, 0.998877], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 0.0, 11.238769672185]}, {"abc": [0.675575, 0.324425, 0.206788], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.318478, -3.5002656580500005, 2.32665553714]}, {"abc": [0.324425, 0.675575, 0.206788], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.318478, 3.5002656580500005, 2.32665553714]}, {"abc": [0.0, 0.0, 0.804437], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 9.051046483985]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "C 2 -2", "number": 35, "point_group": "mm2", "symbol": "Cmm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_NaO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.52287400\n_cell_length_b   5.52287400\n_cell_length_c   5.52287400\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   NaO2\n_chemical_formula_sum   'Na4 O8'\n_cell_volume   168.45946060\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  Na  Na0  1  0.00000000  0.50000000  0.50000000  1.0\n  Na  Na1  1  0.50000000  0.50000000  0.00000000  1.0\n  Na  Na2  1  0.50000000  0.00000000  0.50000000  1.0\n  Na  Na3  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O4  1  0.42922500  0.07077500  0.92922500  1.0\n  O  O5  1  0.07077500  0.92922500  0.42922500  1.0\n  O  O6  1  0.92922500  0.42922500  0.07077500  1.0\n  O  O7  1  0.57077500  0.57077500  0.57077500  1.0\n  O  O8  1  0.42922500  0.42922500  0.42922500  1.0\n  O  O9  1  0.07077500  0.57077500  0.92922500  1.0\n  O  O10  1  0.92922500  0.07077500  0.57077500  1.0\n  O  O11  1  0.57077500  0.92922500  0.07077500  1.0\n", "composition": {"Na": 4.0, "O": 8.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO2", "identifiers": {"materials_project_id": "mp-614"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.1681339192315074, "energy_above_hull": 0.02070919999999976, "formation_energy_per_atom": -0.8870194621264366, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 3.9999993, "volume": 168.45946059608542}, "record_id": "mp-614", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.522874, "alpha": 90.0, "b": 5.522874, "beta": 90.0, "c": 5.522874, "gamma": 90.0, "matrix": [[5.522874, 0.0, 0.0], [0.0, 5.522874, 0.0], [0.0, 0.0, 5.522874]], "pbc": [true, true, true], "volume": 168.45946059608542}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.5], "label": "Na", "properties": {"magmom": -0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 2.761437, 2.761437]}, {"abc": [0.5, 0.5, 0.0], "label": "Na", "properties": {"magmom": -0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.761437, 2.761437, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "Na", "properties": {"magmom": -0.003}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.761437, 0.0, 2.761437]}, {"abc": [0.0, 0.0, 0.0], "label": "Na", "properties": {"magmom": 0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.429225, 0.070775, 0.929225], "label": "O", "properties": {"magmom": -0.408}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.37055559265, 0.39088140735, 5.13199259265]}, {"abc": [0.070775, 0.929225, 0.429225], "label": "O", "properties": {"magmom": -0.404}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.39088140735, 5.13199259265, 2.37055559265]}, {"abc": [0.929225, 0.429225, 0.070775], "label": "O", "properties": {"magmom": -0.411}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.13199259265, 2.37055559265, 0.39088140735]}, {"abc": [0.570775, 0.570775, 0.570775], "label": "O", "properties": {"magmom": -0.398}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.15231840735, 3.15231840735, 3.15231840735]}, {"abc": [0.429225, 0.429225, 0.429225], "label": "O", "properties": {"magmom": -0.398}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.37055559265, 2.37055559265, 2.37055559265]}, {"abc": [0.070775, 0.570775, 0.929225], "label": "O", "properties": {"magmom": -0.411}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.39088140735, 3.15231840735, 5.13199259265]}, {"abc": [0.929225, 0.070775, 0.570775], "label": "O", "properties": {"magmom": -0.404}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.13199259265, 0.39088140735, 3.15231840735]}, {"abc": [0.570775, 0.929225, 0.070775], "label": "O", "properties": {"magmom": -0.408}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.15231840735, 5.13199259265, 0.39088140735]}], "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_NaO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.36931240\n_cell_length_b   4.18284327\n_cell_length_c   5.57014591\n_cell_angle_alpha   89.99747180\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO2\n_chemical_formula_sum   'Na2 O4'\n_cell_volume   78.50176905\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  Na  Na0  1  0.50000000  0.50000000  0.50000000  1.0\n  Na  Na1  1  0.00000000  -0.00000000  0.00000000  1.0\n  O  O2  1  0.50000000  0.38843107  0.91310753  1.0\n  O  O3  1  0.50000000  0.61156893  0.08689247  1.0\n  O  O4  1  0.00000000  0.11155322  0.41310949  1.0\n  O  O5  1  0.00000000  0.88844678  0.58689051  1.0\n", "composition": {"Na": 2.0, "O": 4.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO2", "identifiers": {"materials_project_id": "mp-1901"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.3263340110999473, "energy_above_hull": 0.0008964216666669245, "formation_energy_per_atom": -0.9068322404597696, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 1.9999995, "volume": 78.50176904758418}, "record_id": "mp-1901", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.3693124, "alpha": 89.99747179860958, "b": 4.182843270986182, "beta": 90.0, "c": 5.570145911398754, "gamma": 90.0, "matrix": [[3.3693124, 0.0, 0.0], [0.0, 4.18284327, 9.083e-05], [0.0, 0.00012483, 5.57014591]], "pbc": [true, true, true], "volume": 78.50176904758418}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.6846562, 2.09148405, 2.78511837]}, {"abc": [0.0, -0.0, 0.0], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.38843107, 0.91310753], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6846562, 1.6248602702213688, 5.08617745481379]}, {"abc": [0.5, 0.61156893, 0.08689247], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6846562, 2.5581078297786313, 0.4840592851862096]}, {"abc": [0.0, 0.11155322, 0.41310949], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.4666612039814661, 2.301090268484659]}, {"abc": [0.0, 0.88844678, 0.58689051], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.716306896018534, 3.2691464715153415]}], "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_NaO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.19512200\n_cell_length_b   6.54575500\n_cell_length_c   9.21828900\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   NaO2\n_chemical_formula_sum   'Na8 O16'\n_cell_volume   313.47709708\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  Na  Na0  1  0.65550500  0.62874300  0.11680100  1.0\n  Na  Na1  1  0.15550500  0.87125700  0.88319900  1.0\n  Na  Na2  1  0.34449500  0.12874300  0.38319900  1.0\n  Na  Na3  1  0.84449500  0.37125700  0.61680100  1.0\n  Na  Na4  1  0.34449500  0.37125700  0.88319900  1.0\n  Na  Na5  1  0.84449500  0.12874300  0.11680100  1.0\n  Na  Na6  1  0.65550500  0.87125700  0.61680100  1.0\n  Na  Na7  1  0.15550500  0.62874300  0.38319900  1.0\n  O  O8  1  0.67468800  0.63731100  0.41237200  1.0\n  O  O9  1  0.17468800  0.86268900  0.58762800  1.0\n  O  O10  1  0.32531200  0.13731100  0.08762800  1.0\n  O  O11  1  0.82531200  0.36268900  0.91237200  1.0\n  O  O12  1  0.32531200  0.36268900  0.58762800  1.0\n  O  O13  1  0.82531200  0.13731100  0.41237200  1.0\n  O  O14  1  0.67468800  0.86268900  0.91237200  1.0\n  O  O15  1  0.17468800  0.63731100  0.08762800  1.0\n  O  O16  1  0.43295900  0.29905600  0.16036600  1.0\n  O  O17  1  0.93295900  0.20094400  0.83963400  1.0\n  O  O18  1  0.56704100  0.79905600  0.33963400  1.0\n  O  O19  1  0.06704100  0.70094400  0.66036600  1.0\n  O  O20  1  0.56704100  0.70094400  0.83963400  1.0\n  O  O21  1  0.06704100  0.79905600  0.16036600  1.0\n  O  O22  1  0.43295900  0.20094400  0.66036600  1.0\n  O  O23  1  0.93295900  0.29905600  0.33963400  1.0\n", "composition": {"Na": 8.0, "O": 16.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO2", "identifiers": {"materials_project_id": "mp-1180165"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.3302670206712226, "energy_above_hull": 0.07743116958333296, "formation_energy_per_atom": -0.830297492543103, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 8.0004542, "volume": 313.4770970827282}, "record_id": "mp-1180165", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.195122, "alpha": 90.0, "b": 6.545755, "beta": 90.0, "c": 9.218289, "gamma": 90.0, "matrix": [[5.195122, 0.0, 0.0], [0.0, 6.545755, 0.0], [0.0, 0.0, 9.218289]], "pbc": [true, true, true], "volume": 313.4770970827282}, "properties": {}, "sites": [{"abc": [0.655505, 0.628743, 0.116801], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.4054284466099998, 4.115597635965, 1.076705373489]}, {"abc": [0.155505, 0.871257, 0.883199], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.80786744661, 5.703034864035, 8.141583626511]}, {"abc": [0.344495, 0.128743, 0.383199], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.7896935533899998, 0.842720135965, 3.5324391265110004]}, {"abc": [0.844495, 0.371257, 0.616801], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.38725455339, 2.430157364035, 5.685849873489]}, {"abc": [0.344495, 0.371257, 0.883199], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.7896935533899998, 2.430157364035, 8.141583626511]}, {"abc": [0.844495, 0.128743, 0.116801], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.38725455339, 0.842720135965, 1.076705373489]}, {"abc": [0.655505, 0.871257, 0.616801], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.4054284466099998, 5.703034864035, 5.685849873489]}, {"abc": [0.155505, 0.628743, 0.383199], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.80786744661, 4.115597635965, 3.5324391265110004]}, {"abc": [0.674688, 0.637311, 0.412372], "label": "O", "properties": {"magmom": 0.417}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.5050864719359995, 4.171681664805, 3.8013642715080005]}, {"abc": [0.174688, 0.862689, 0.587628], "label": "O", "properties": {"magmom": 0.417}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.907525471936, 5.646950835195, 5.416924728492001]}, {"abc": [0.325312, 0.137311, 0.087628], "label": "O", "properties": {"magmom": 0.417}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6900355280639998, 0.8988041648049999, 0.807780228492]}, {"abc": [0.825312, 0.362689, 0.912372], "label": "O", "properties": {"magmom": 0.417}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.287596528064, 2.374073335195, 8.410508771508]}, {"abc": [0.325312, 0.362689, 0.587628], "label": "O", "properties": {"magmom": 0.417}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.6900355280639998, 2.374073335195, 5.416924728492001]}, {"abc": [0.825312, 0.137311, 0.412372], "label": "O", "properties": {"magmom": 0.417}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.287596528064, 0.8988041648049999, 3.8013642715080005]}, {"abc": [0.674688, 0.862689, 0.912372], "label": "O", "properties": {"magmom": 0.417}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.5050864719359995, 5.646950835195, 8.410508771508]}, {"abc": [0.174688, 0.637311, 0.087628], "label": "O", "properties": {"magmom": 0.417}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.907525471936, 4.171681664805, 0.807780228492]}, {"abc": [0.432959, 0.299056, 0.160366], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.2492748259979995, 1.9575473072799998, 1.478300133774]}, {"abc": [0.932959, 0.200944, 0.839634], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.846835825997999, 1.31533019272, 7.739988866226001]}, {"abc": [0.567041, 0.799056, 0.339634], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.945847174002, 5.2304248072799995, 3.130844366226]}, {"abc": [0.067041, 0.700944, 0.660366], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.348286174002, 4.58820769272, 6.087444633774]}, {"abc": [0.567041, 0.700944, 0.839634], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.945847174002, 4.58820769272, 7.739988866226001]}, {"abc": [0.067041, 0.799056, 0.160366], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.348286174002, 5.2304248072799995, 1.478300133774]}, {"abc": [0.432959, 0.200944, 0.660366], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.2492748259979995, 1.31533019272, 6.087444633774]}, {"abc": [0.932959, 0.299056, 0.339634], "label": "O", "properties": {"magmom": 0.416}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.846835825997999, 1.9575473072799998, 3.130844366226]}], "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_NaO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.08844605\n_cell_length_b   6.33364450\n_cell_length_c   9.14499487\n_cell_angle_alpha   90.00116795\n_cell_angle_beta   89.99727376\n_cell_angle_gamma   90.00541525\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO2\n_chemical_formula_sum   'Na8 O16'\n_cell_volume   294.72862702\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  Na  Na0  1  0.33190294  0.72564541  0.62075651  1.0\n  Na  Na1  1  0.83188055  0.77438743  0.37925491  1.0\n  Na  Na2  1  0.66808018  0.22553795  0.87933392  1.0\n  Na  Na3  1  0.16807889  0.27446094  0.12068307  1.0\n  Na  Na4  1  0.66809706  0.27435459  0.37924349  1.0\n  Na  Na5  1  0.16811945  0.22561257  0.62074509  1.0\n  Na  Na6  1  0.33191982  0.77446205  0.12066608  1.0\n  Na  Na7  1  0.83192111  0.72553906  0.87931693  1.0\n  O  O8  1  0.27595412  0.02778078  0.93137422  1.0\n  O  O9  1  0.77597375  0.47220752  0.06864671  1.0\n  O  O10  1  0.72399936  0.52775484  0.56861624  1.0\n  O  O11  1  0.22401020  0.97222761  0.43141302  1.0\n  O  O12  1  0.72404588  0.97221922  0.06862578  1.0\n  O  O13  1  0.22402625  0.52779248  0.93135329  1.0\n  O  O14  1  0.27600064  0.47224516  0.43138376  1.0\n  O  O15  1  0.77598980  0.02777239  0.56858698  1.0\n  O  O16  1  0.57639020  0.03583715  0.66416526  1.0\n  O  O17  1  0.07640197  0.46422675  0.33580679  1.0\n  O  O18  1  0.42360568  0.53565904  0.83577545  1.0\n  O  O19  1  0.92361894  0.96433328  0.16422068  1.0\n  O  O20  1  0.42360980  0.96416285  0.33583474  1.0\n  O  O21  1  0.92359803  0.53577325  0.66419321  1.0\n  O  O22  1  0.57639432  0.46434096  0.16422455  1.0\n  O  O23  1  0.07638106  0.03566672  0.83577932  1.0\n", "composition": {"Na": 8.0, "O": 16.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO2", "identifiers": {"materials_project_id": "mp-1180346"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.478501489497432, "energy_above_hull": 0.020404291249999318, "formation_energy_per_atom": -0.8873243708764372, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 7.9999995, "volume": 294.72862702041544}, "record_id": "mp-1180346", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.088446047164568, "alpha": 90.00116795140694, "b": 6.333644497436187, "beta": 89.99727376437444, "c": 9.144994872939172, "gamma": 90.00541524611751, "matrix": [[5.08844604, -0.00024047, 0.00012283], [-0.0002993, 6.33364449, -6.794e-05], [0.00021438, -8.831e-05, 9.14499487]], "pbc": [true, true, true], "volume": 294.7286270204154}, "properties": {}, "sites": [{"abc": [0.33190294, 0.72564541, 0.62075651], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.6887860928167584, 4.595845421032911, 5.676806566758068]}, {"abc": [0.83188055, 0.77438743, 0.37925491], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.2328288209103295, 4.9044611448278, 3.468333774378274]}, {"abc": [0.66808018, 0.22553795, 0.87933392], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.3996109544208215, 1.4282388870840355, 8.041570924657176]}, {"abc": [0.16807889, 0.27446094, 0.12068307], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.8552040881053002, 1.7382869448986307, 1.103648054299646]}, {"abc": [0.66809706, 0.27435459, 0.37924349], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.399575027183242, 1.7374702889670892, 3.4682431932419315]}, {"abc": [0.16811945, 0.22561257, 0.62074509], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.8555322990896711, 1.4288545651722, 5.676715985621725]}, {"abc": [0.33191982, 0.77446205, 0.12066608], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [1.6887501655791781, 4.905076822915964, 1.103478835342823]}, {"abc": [0.83192111, 0.72553906, 0.87931693], "label": "Na", "properties": {}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.2331570318947, 4.595028765101369, 8.041401705700354]}, {"abc": [0.27595412, 0.02778078, 0.93137422], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4043690023535147, 0.17580497583029764, 8.517444471968616]}, {"abc": [0.77597375, 0.47220752, 0.06864671], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.948373940102404, 2.9906018965859427, 0.6278370418691814]}, {"abc": [0.72399936, 0.52775484, 0.56861624], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6839956192804535, 3.3423872198105777, 5.200045670976248]}, {"abc": [0.2240102, 0.97222761, 0.43141302], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1396653137091626, 6.1576520792857785, 3.9452313167802497]}, {"abc": [0.72404588, 0.97221922, 0.06862578], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.683992117646486, 6.157510734169702, 0.6276052880313822]}, {"abc": [0.22402625, 0.52779248, 0.93135329], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.139987179897596, 3.3427138134140577, 8.517212718130818]}, {"abc": [0.27600064, 0.47224516, 0.43138376], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4043655007195466, 2.9909284901894218, 3.945004089023752]}, {"abc": [0.7759898, 0.02777239, 0.56858698], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.9486958062908375, 0.1756636307142213, 5.199818443219749]}, {"abc": [0.5763902, 0.03583715, 0.66416526], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.933062088374251, 0.22678251064929889, 6.07385625876451]}, {"abc": [0.07640197, 0.46422675, 0.33580679], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.38870034888806404, 2.940199169768757, 3.070929216749747]}, {"abc": [0.42360568, 0.53565904, 0.83577545], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.155513495707806, 3.3924982554268306, 7.643177841532437]}, {"abc": [0.92361894, 0.96433328, 0.16422068], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.699531718390672, 6.107507560420874, 1.5018452074592687]}, {"abc": [0.4236098, 0.96416285, 0.33583474], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.1552990316257485, 6.106533199350701, 3.0711935012354887]}, {"abc": [0.92359803, 0.53577325, 0.66419321], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.699660771111935, 3.393116540231243, 6.074120543250252]}, {"abc": [0.57639432, 0.46434096, 0.16422455], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.932847624292194, 2.9408174545731693, 1.5018719184675615]}, {"abc": [0.07638106, 0.03566672, 0.83577932], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.388829401609328, 0.2258081495791254, 7.643204552540731]}], "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_NaO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.36447891\n_cell_length_b   3.36447891\n_cell_length_c   3.36447924\n_cell_angle_alpha   82.31512580\n_cell_angle_beta   82.31512580\n_cell_angle_gamma   82.31511670\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO2\n_chemical_formula_sum   'Na1 O2'\n_cell_volume   37.14280800\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  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O1  1  0.39646700  0.39646700  0.39646700  1.0\n  O  O2  1  0.60353300  0.60353300  0.60353300  1.0\n", "composition": {"Na": 1.0, "O": 2.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO2", "identifiers": {"materials_project_id": "mp-1220954"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.4583673812246554, "energy_above_hull": 0.11579924499999983, "formation_energy_per_atom": -0.7919294171264367, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 0.9998419, "volume": 37.1428079996599}, "record_id": "mp-1220954", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.364478908696858, "alpha": 82.31512580325808, "b": 3.364478908696858, "beta": 82.31512580325808, "c": 3.3644792446053224, "gamma": 82.31511669760263, "matrix": [[2.533125, -2.214271, 0.0], [2.533125, 2.214271, 0.0], [0.597572, 0.0, 3.310986]], "pbc": [true, true, true], "volume": 37.1428079996599}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.396467, 0.396467, 0.396467], "label": "O", "properties": {"magmom": 0.423}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.245518516874, 0.0, 1.3126966864620002]}, {"abc": [0.603533, 0.603533, 0.603533], "label": "O", "properties": {"magmom": 0.423}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.418303483126, 0.0, 1.998289313538]}], "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_NaO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.32870400\n_cell_length_b   4.32870400\n_cell_length_c   4.57850500\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   NaO2\n_chemical_formula_sum   'Na2 O4'\n_cell_volume   85.79055387\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  Na  Na0  1  0.50000000  0.50000000  0.50000000  1.0\n  Na  Na1  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O2  1  0.11067300  0.88932700  0.50000000  1.0\n  O  O3  1  0.88932700  0.11067300  0.50000000  1.0\n  O  O4  1  0.38932700  0.38932700  0.00000000  1.0\n  O  O5  1  0.61067300  0.61067300  0.00000000  1.0\n", "composition": {"Na": 2.0, "O": 4.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO2", "identifiers": {"materials_project_id": "mp-1238787"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.12868814827235, "energy_above_hull": 0.0656872350000004, "formation_energy_per_atom": -0.8420414271264361, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 2.0007034, "volume": 85.79055387475346}, "record_id": "mp-1238787", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.328704, "alpha": 90.0, "b": 4.328704, "beta": 90.0, "c": 4.578505, "gamma": 90.0, "matrix": [[4.328704, 0.0, 0.0], [0.0, 4.328704, 0.0], [0.0, 0.0, 4.578505]], "pbc": [true, true, true], "volume": 85.79055387475346}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Na", "properties": {"magmom": 0.003}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.164352, 2.164352, 2.2892525]}, {"abc": [0.0, 0.0, 0.0], "label": "Na", "properties": {"magmom": 0.003}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.110673, 0.889327, 0.5], "label": "O", "properties": {"magmom": -0.42}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.479070657792, 3.849633342208, 2.2892525]}, {"abc": [0.889327, 0.110673, 0.5], "label": "O", "properties": {"magmom": -0.42}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.849633342208, 0.479070657792, 2.2892525]}, {"abc": [0.389327, 0.389327, 0.0], "label": "O", "properties": {"magmom": -0.398}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.685281342208, 1.685281342208, 0.0]}, {"abc": [0.610673, 0.610673, 0.0], "label": "O", "properties": {"magmom": -0.398}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.643422657792, 2.643422657792, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4n 2n", "number": 136, "point_group": "4/mmm", "symbol": "P4_2/mnm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_NaO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.39360402\n_cell_length_b   5.37453501\n_cell_length_c   5.41498606\n_cell_angle_alpha   89.70789541\n_cell_angle_beta   85.20226461\n_cell_angle_gamma   90.20749073\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO2\n_chemical_formula_sum   'Na4 O8'\n_cell_volume   156.41691060\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  Na  Na0  1  0.00000000  0.50000000  0.50000000  1.0\n  Na  Na1  1  0.50000000  0.50000000  0.00000000  1.0\n  Na  Na2  1  0.50000000  0.00000000  0.50000000  1.0\n  Na  Na3  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O4  1  0.43045035  0.07605399  0.93530367  1.0\n  O  O5  1  0.07535813  0.93732542  0.41713881  1.0\n  O  O6  1  0.92424440  0.43641042  0.08299293  1.0\n  O  O7  1  0.57059561  0.57546736  0.56403387  1.0\n  O  O8  1  0.42940439  0.42453264  0.43596613  1.0\n  O  O9  1  0.07575560  0.56358958  0.91700707  1.0\n  O  O10  1  0.92464187  0.06267458  0.58286119  1.0\n  O  O11  1  0.56954965  0.92394601  0.06469633  1.0\n", "composition": {"Na": 4.0, "O": 8.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO2", "identifiers": {"materials_project_id": "mp-1545216"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.48360000000000003, "density": 2.3350587167153805, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.9077286621264365, "is_stable": true, "ordering": "FM", "theoretical": true, "total_magnetization": 3.9999999, "volume": 156.41691059811396}, "record_id": "mp-1545216", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.39360402332785, "alpha": 89.70789541308314, "b": 5.374535013591867, "beta": 85.20226461067091, "c": 5.414986063497705, "gamma": 90.20749072910414, "matrix": [[5.388803497857151, -0.0102329787359439, 0.2272806812887706], [-0.0098600212243675, 5.374508056730142, 0.0138758945360447], [0.2251445149444867, 0.0140514132920378, 5.410285258010827]], "pbc": [true, true, true], "volume": 156.41691059811396}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.5], "label": "Na", "properties": {"magmom": -0.003}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.1076422468600596, 2.69427973501109, 2.712080576273436]}, {"abc": [0.5, 0.5, 0.0], "label": "Na", "properties": {"magmom": -0.002}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.6894717383163917, 2.682137538997099, 0.12057828791240766]}, {"abc": [0.5, 0.0, 0.5], "label": "Na", "properties": {"magmom": -0.001}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.806974006400819, 0.0019092172780469504, 2.818782969649799]}, {"abc": [0.0, 0.0, 0.0], "label": "Na", "properties": {"magmom": -0.004}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.4304503490562723, 0.0760539851351467, 0.9353036702820532], "label": "O", "properties": {"magmom": -0.411}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.529440943912092, 0.41749030501120094, 5.159148024761691]}, {"abc": [0.0753581269635646, 0.9373254206977961, 0.4171388088813544], "label": "O", "properties": {"magmom": -0.42}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.4907646044211142, 5.042753277011216, 2.2869736233554687]}, {"abc": [0.9242443974575778, 0.4364104176527306, 0.0829929286185802], "label": "O", "properties": {"magmom": -0.42}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.994953828571332, 2.3371997003899043, 0.6651338994855174]}, {"abc": [0.5705956116596695, 0.5754673564888719, 0.5640338701351908], "label": "O", "properties": {"magmom": -0.41}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.196142639728506, 3.0949405240936794, 3.1892546163171844]}, {"abc": [0.4294043883403305, 0.4245326435111281, 0.4359661298648092], "label": "O", "properties": {"magmom": -0.41}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.4079453518487646, 2.2833859671925563, 2.462187217518458]}, {"abc": [0.0757556025424222, 0.5635895823472694, 0.9170070713814198], "label": "O", "properties": {"magmom": -0.42}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.6091341630059384, 3.0411267908963318, 4.986307934350125]}, {"abc": [0.9246418730364354, 0.0626745793022039, 0.5828611911186456], "label": "O", "properties": {"magmom": -0.42}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.113323387156156, 0.3355732142750194, 3.364468210480174]}, {"abc": [0.5695496509437277, 0.9239460148648533, 0.0646963297179468], "label": "O", "properties": {"magmom": -0.411}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0746470476651777, 4.960836186275036, 0.4922938090739507]}], "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_NaO3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.31656199\n_cell_length_b   4.31656199\n_cell_length_c   4.31656199\n_cell_angle_alpha   130.12205370\n_cell_angle_beta   103.05039856\n_cell_angle_gamma   97.45652989\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO3\n_chemical_formula_sum   'Na1 O3'\n_cell_volume   55.67230344\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  Na  Na0  1  0.48255300  0.48255300  0.00000000  1.0\n  O  O1  1  0.87965400  0.09148200  0.78817200  1.0\n  O  O2  1  0.95888300  0.95888300  0.00000000  1.0\n  O  O3  1  0.30331000  0.09148200  0.21182800  1.0\n", "composition": {"Na": 1.0, "O": 3.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO3", "identifiers": {"materials_project_id": "mp-22464"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.6064, "density": 2.1173597844860153, "energy_above_hull": 0.08481666499999996, "formation_energy_per_atom": -0.5959798315948275, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 1.0002463, "volume": 55.67230343961003}, "record_id": "mp-22464", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.316561987289537, "alpha": 130.12205369893258, "b": 4.316561987289537, "beta": 103.05039855903739, "c": 4.316561987289537, "gamma": 97.45652989087094, "matrix": [[-1.82009, 2.685637, 2.847338], [1.82009, -2.685637, 2.847338], [1.82009, 2.685637, -2.847338]], "pbc": [true, true, true], "volume": 55.67230343961003}, "properties": {}, "sites": [{"abc": [0.482553, 0.482553, 0.0], "label": "Na", "properties": {"magmom": 0.004}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 0.0, 2.747982987828]}, {"abc": [0.879654, 0.091482, 0.788172], "label": "O", "properties": {"magmom": 0.236}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 4.233487771128, 0.5209603498320003]}, {"abc": [0.958883, 0.958883, 0.0], "label": "O", "properties": {"magmom": 0.344}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 5.460528006908]}, {"abc": [0.30331, 0.091482, 0.211828], "label": "O", "properties": {"magmom": 0.236}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.1102230246251565e-16, 1.1377862288719998, 0.5209603498320002]}], "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"}}}
{"cif": "# generated using pymatgen\ndata_NaO5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.56140561\n_cell_length_b   7.56140561\n_cell_length_c   9.69732686\n_cell_angle_alpha   50.99269342\n_cell_angle_beta   50.99269342\n_cell_angle_gamma   23.51591468\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO5\n_chemical_formula_sum   'Na2 O10'\n_cell_volume   169.44550815\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  Na  Na0  1  0.42451800  0.42451800  0.24481000  1.0\n  Na  Na1  1  0.57548200  0.57548200  0.75519000  1.0\n  O  O2  1  0.15786400  0.15786400  0.90727400  1.0\n  O  O3  1  0.84213600  0.84213600  0.09272600  1.0\n  O  O4  1  0.22686400  0.22686400  0.53238700  1.0\n  O  O5  1  0.77313600  0.77313600  0.46761300  1.0\n  O  O6  1  0.61328400  0.61328400  0.96698700  1.0\n  O  O7  1  0.38671600  0.38671600  0.03301300  1.0\n  O  O8  1  0.00769500  0.00769500  0.36651500  1.0\n  O  O9  1  0.99230500  0.99230500  0.63348500  1.0\n  O  O10  1  0.90128200  0.90128200  0.65225000  1.0\n  O  O11  1  0.09871800  0.09871800  0.34775000  1.0\n", "composition": {"Na": 2.0, "O": 10.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO5", "identifiers": {"materials_project_id": "mp-1180210"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.0185079656208402, "energy_above_hull": 0.35541285333333317, "formation_energy_per_atom": -0.09845147772988483, "is_stable": false, "ordering": "FiM", "theoretical": true, "total_magnetization": 2.1607766, "volume": 169.44550815155264}, "record_id": "mp-1180210", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.561405605853451, "alpha": 50.99269342456303, "b": 7.561405605853451, "beta": 50.99269342456303, "c": 9.69732685791796, "gamma": 23.51591467883535, "matrix": [[1.540846, 7.402746, 0.0], [-1.540846, 7.402746, 0.0], [0.0, 6.234504, 7.427591]], "pbc": [true, true, true], "volume": 169.44550815155264}, "properties": {}, "sites": [{"abc": [0.424518, 0.424518, 0.24481], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 7.811466777096, 1.8183485527099998]}, {"abc": [0.575482, 0.575482, 0.75519], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [0.0, 13.228529222904001, 5.60924244729]}, {"abc": [0.157864, 0.157864, 0.907274], "label": "O", "properties": {"magmom": 0.243}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 7.993657571184, 6.738860196934]}, {"abc": [0.842136, 0.842136, 0.092726], "label": "O", "properties": {"magmom": 0.243}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 13.046338428816, 0.688730803066]}, {"abc": [0.226864, 0.226864, 0.532387], "label": "O", "properties": {"magmom": -0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 6.6780020181360005, 3.954352889717]}, {"abc": [0.773136, 0.773136, 0.467613], "label": "O", "properties": {"magmom": -0.237}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 14.361993981864, 3.473238110283]}, {"abc": [0.613284, 0.613284, 0.966987], "label": "O", "properties": {"magmom": 0.209}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 15.108655675176001, 7.182383938317]}, {"abc": [0.386716, 0.386716, 0.033013], "label": "O", "properties": {"magmom": 0.209}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 5.931340324823999, 0.245207061683]}, {"abc": [0.007695, 0.007695, 0.366515], "label": "O", "properties": {"magmom": 0.308}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 2.3989674945, 2.722323515365]}, {"abc": [0.992305, 0.992305, 0.633485], "label": "O", "properties": {"magmom": 0.308}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 18.6410285055, 4.705267484635]}, {"abc": [0.901282, 0.901282, 0.65225], "label": "O", "properties": {"magmom": 0.371}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 17.410378674744, 4.8446462297499995]}, {"abc": [0.098718, 0.098718, 0.34775], "label": "O", "properties": {"magmom": 0.371}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.629617325256, 2.5829447702499997]}], "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_NaO5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.01414793\n_cell_length_b   8.01414793\n_cell_length_c   10.25226820\n_cell_angle_alpha   44.61813716\n_cell_angle_beta   135.38186284\n_cell_angle_gamma   156.90988240\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO5\n_chemical_formula_sum   'Na2 O10'\n_cell_volume   177.45106406\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  Na  Na0  1  0.58553551  0.41446449  0.92855145  1.0\n  Na  Na1  1  0.41446449  0.58553551  0.07144855  1.0\n  O  O2  1  0.88629475  0.11370525  0.81106654  1.0\n  O  O3  1  0.11370525  0.88629475  0.18893346  1.0\n  O  O4  1  0.75441326  0.24558674  0.97140440  1.0\n  O  O5  1  0.24558674  0.75441326  0.02859560  1.0\n  O  O6  1  0.38410052  0.61589948  0.80445555  1.0\n  O  O7  1  0.61589948  0.38410052  0.19554445  1.0\n  O  O8  1  0.95413440  0.04586560  0.60412939  1.0\n  O  O9  1  0.04586560  0.95413440  0.39587061  1.0\n  O  O10  1  0.12816216  0.87183784  0.57095469  1.0\n  O  O11  1  0.87183784  0.12816216  0.42904531  1.0\n", "composition": {"Na": 2.0, "O": 10.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO5", "identifiers": {"materials_project_id": "mp-1180554"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.9274446718962563, "energy_above_hull": 0.39985948083333245, "formation_energy_per_atom": -0.05400485022988496, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 4.8835497, "volume": 177.4510640588647}, "record_id": "mp-1180554", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.014147925493482, "alpha": 44.61813715583876, "b": 8.014147925493482, "beta": 135.38186284416125, "c": 10.252268201022073, "gamma": 156.909882398989, "matrix": [[6.07707357, 1.60393962, -4.97223506], [-6.07707357, 1.60393962, 4.97223506], [-1.30343014, 0.0, 10.16907435]], "pbc": [true, true, true], "volume": 177.4510640588647}, "properties": {}, "sites": [{"abc": [0.58553551, 0.41446449, 0.92855145], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [-0.17069077223576135, 1.60393962, 8.591903409456346]}, {"abc": [0.41446449, 0.58553551, 0.07144855], "label": "Na", "properties": {"magmom": -0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [-1.1327393677642383, 1.60393962, 1.5771709405436538]}, {"abc": [0.88629475, 0.11370525, 0.81106654], "label": "O", "properties": {"magmom": 0.141}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6379146571279986, 1.60393962, 4.40629934916938]}, {"abc": [0.11370525, 0.88629475, 0.18893346], "label": "O", "properties": {"magmom": 0.141}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-4.941344797127998, 1.60393962, 5.762775000830622]}, {"abc": [0.75441326, 0.24558674, 0.9714044], "label": "O", "properties": {"magmom": 0.138}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.82601842331846, 1.60393962, 7.348278505315349]}, {"abc": [0.24558674, 0.75441326, 0.0285956], "label": "O", "properties": {"magmom": 0.138}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-3.12944856331846, 1.60393962, 2.8207958446846515]}, {"abc": [0.38410052, 0.61589948, 0.80445555], "label": "O", "properties": {"magmom": 0.131}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-2.4572109435297644, 1.6039396200000002, 9.33312721500368]}, {"abc": [0.61589948, 0.38410052, 0.19554445], "label": "O", "properties": {"magmom": 0.131}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1537808035297643, 1.6039396200000002, 0.8359471349963201]}, {"abc": [0.9541344, 0.0458656, 0.60412939], "label": "O", "properties": {"magmom": 0.756}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.732175863549801, 1.60393962, 1.6273107126660182]}, {"abc": [0.0458656, 0.9541344, 0.39587061], "label": "O", "properties": {"magmom": 0.756}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-6.035606003549801, 1.60393962, 8.541763637333982]}, {"abc": [0.12816216, 0.87183784, 0.57095469], "label": "O", "properties": {"magmom": 0.841}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-5.263571371100134, 1.60393962, 9.503810982456542]}, {"abc": [0.87183784, 0.12816216, 0.42904531], "label": "O", "properties": {"magmom": 0.841}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.9601412311001347, 1.60393962, 0.6652633675434578]}], "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_NaO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   15.75834200\n_cell_length_b   5.69582000\n_cell_length_c   6.75386714\n_cell_angle_alpha   79.98619724\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO8\n_chemical_formula_sum   'Na4 O32'\n_cell_volume   596.96970091\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  Na  Na0  1  0.79744900  0.52542700  0.05801000  1.0\n  Na  Na1  1  0.29744900  0.47457300  0.44199000  1.0\n  Na  Na2  1  0.20255100  0.47457300  0.94199000  1.0\n  Na  Na3  1  0.70255100  0.52542700  0.55801000  1.0\n  O  O4  1  0.57715300  0.85470900  0.49981600  1.0\n  O  O5  1  0.07715300  0.14529100  0.00018400  1.0\n  O  O6  1  0.42284700  0.14529100  0.50018400  1.0\n  O  O7  1  0.92284700  0.85470900  0.99981600  1.0\n  O  O8  1  0.73271700  0.01714200  0.74429100  1.0\n  O  O9  1  0.23271700  0.98285800  0.75570900  1.0\n  O  O10  1  0.26728300  0.98285800  0.25570900  1.0\n  O  O11  1  0.76728300  0.01714200  0.24429100  1.0\n  O  O12  1  0.71383000  0.78547900  0.81179000  1.0\n  O  O13  1  0.21383000  0.21452100  0.68821000  1.0\n  O  O14  1  0.28617000  0.21452100  0.18821000  1.0\n  O  O15  1  0.78617000  0.78547900  0.31179000  1.0\n  O  O16  1  0.58559600  0.46021300  0.33498300  1.0\n  O  O17  1  0.08559600  0.53978700  0.16501700  1.0\n  O  O18  1  0.41440400  0.53978700  0.66501700  1.0\n  O  O19  1  0.91440400  0.46021300  0.83498300  1.0\n  O  O20  1  0.60183200  0.57146400  0.14736700  1.0\n  O  O21  1  0.10183200  0.42853600  0.35263300  1.0\n  O  O22  1  0.39816800  0.42853600  0.85263300  1.0\n  O  O23  1  0.89816800  0.57146400  0.64736700  1.0\n  O  O24  1  0.53713600  0.65676000  0.04130400  1.0\n  O  O25  1  0.03713600  0.34324000  0.45869600  1.0\n  O  O26  1  0.46286400  0.34324000  0.95869600  1.0\n  O  O27  1  0.96286400  0.65676000  0.54130400  1.0\n  O  O28  1  0.68080100  0.17380300  0.80774300  1.0\n  O  O29  1  0.18080100  0.82619700  0.69225700  1.0\n  O  O30  1  0.31919900  0.82619700  0.19225700  1.0\n  O  O31  1  0.81919900  0.17380300  0.30774300  1.0\n  O  O32  1  0.59150000  0.99135700  0.34039300  1.0\n  O  O33  1  0.09150000  0.00864300  0.15960700  1.0\n  O  O34  1  0.40850000  0.00864300  0.65960700  1.0\n  O  O35  1  0.90850000  0.99135700  0.84039300  1.0\n", "composition": {"Na": 4.0, "O": 32.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO8", "identifiers": {"materials_project_id": "mp-1180536"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.6799274062113343, "energy_above_hull": 0.23815402194444424, "formation_energy_per_atom": -0.06442219876436815, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 11.4790727, "volume": 596.9697009100068}, "record_id": "mp-1180536", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 15.758342, "alpha": 79.98619724015934, "b": 5.69582, "beta": 90.0, "c": 6.753867141696304, "gamma": 90.0, "matrix": [[15.758342, 0.0, 0.0], [0.0, 5.69582, 0.0], [0.0, 1.174399, 6.650978]], "pbc": [true, true, true], "volume": 596.9697009100068}, "properties": {}, "sites": [{"abc": [0.797449, 0.525427, 0.05801], "label": "Na", "properties": {"magmom": 0.003}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [12.566474069558, 3.06086450113, 0.38582323378]}, {"abc": [0.297449, 0.474573, 0.44199], "label": "Na", "properties": {"magmom": 0.003}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [4.687303069558, 3.22215499887, 2.93966576622]}, {"abc": [0.202551, 0.474573, 0.94199], "label": "Na", "properties": {"magmom": 0.003}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [3.191867930442, 3.8093544988700003, 6.26515476622]}, {"abc": [0.702551, 0.525427, 0.55801], "label": "Na", "properties": {"magmom": 0.003}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [11.071038930442, 3.6480640011300003, 3.71131223378]}, {"abc": [0.577153, 0.854709, 0.499816], "label": "O", "properties": {"magmom": 0.765}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.094974360326, 5.455252026964001, 3.324265220048]}, {"abc": [0.077153, 0.145291, 0.000184], "label": "O", "properties": {"magmom": 0.765}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.2158033603260001, 0.8277674730360001, 0.001223779952]}, {"abc": [0.422847, 0.145291, 0.500184], "label": "O", "properties": {"magmom": 0.765}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.663367639674, 1.414966973036, 3.326712779952]}, {"abc": [0.922847, 0.854709, 0.999816], "label": "O", "properties": {"magmom": 0.765}, "species": [{"element": "O", "occu": 1.0}], "xyz": [14.542538639674, 6.042451526964001, 6.649754220048001]}, {"abc": [0.732717, 0.017142, 0.744291], "label": "O", "properties": {"magmom": 0.251}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.546405075214, 0.971732352549, 4.9502630665980005]}, {"abc": [0.232717, 0.982858, 0.755709], "label": "O", "properties": {"magmom": 0.251}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.6672340752140005, 6.485686147451, 5.026203933402]}, {"abc": [0.267283, 0.982858, 0.255709], "label": "O", "properties": {"magmom": 0.251}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.211936924786, 5.8984866474510005, 1.7007149334020002]}, {"abc": [0.767283, 0.017142, 0.244291], "label": "O", "properties": {"magmom": 0.251}, "species": [{"element": "O", "occu": 1.0}], "xyz": [12.091107924786002, 0.384532852549, 1.6247740665980002]}, {"abc": [0.71383, 0.785479, 0.81179], "label": "O", "properties": {"magmom": 0.152}, "species": [{"element": "O", "occu": 1.0}], "xyz": [11.24877726986, 5.42731236199, 5.39919743062]}, {"abc": [0.21383, 0.214521, 0.68821], "label": "O", "properties": {"magmom": 0.152}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.3696062698600002, 2.03010613801, 4.57726956938]}, {"abc": [0.28617, 0.214521, 0.18821], "label": "O", "properties": {"magmom": 0.152}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.50956473014, 1.44290663801, 1.25178056938]}, {"abc": [0.78617, 0.785479, 0.31179], "label": "O", "properties": {"magmom": 0.152}, "species": [{"element": "O", "occu": 1.0}], "xyz": [12.38873573014, 4.840112861990001, 2.07370843062]}, {"abc": [0.585596, 0.460213, 0.334983], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.228022041832, 3.0146941098770004, 2.227964563374]}, {"abc": [0.085596, 0.539787, 0.165017], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.348851041832, 3.268325390123, 1.097524436626]}, {"abc": [0.414404, 0.539787, 0.665017], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.5303199581680005, 3.855524890123, 4.423013436626]}, {"abc": [0.914404, 0.460213, 0.834983], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [14.409490958168, 3.601893609877, 5.553453563374]}, {"abc": [0.601832, 0.571464, 0.147367], "label": "O", "properties": {"magmom": 0.057}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.483874482544001, 3.428023737913, 0.980134674926]}, {"abc": [0.101832, 0.428536, 0.352633], "label": "O", "properties": {"magmom": 0.057}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.604703482544, 2.854995762087, 2.345354325074]}, {"abc": [0.398168, 0.428536, 0.852633], "label": "O", "properties": {"magmom": 0.057}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.274467517456, 3.442195262087, 5.670843325074]}, {"abc": [0.898168, 0.571464, 0.647367], "label": "O", "properties": {"magmom": 0.057}, "species": [{"element": "O", "occu": 1.0}], "xyz": [14.153638517456, 4.015223237913, 4.305623674926]}, {"abc": [0.537136, 0.65676, 0.041304], "label": "O", "properties": {"magmom": 0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.464372788512, 3.789294119496, 0.274711995312]}, {"abc": [0.037136, 0.34324, 0.458696], "label": "O", "properties": {"magmom": 0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.5852017885120001, 2.493725380504, 3.0507770046880003]}, {"abc": [0.462864, 0.34324, 0.958696], "label": "O", "properties": {"magmom": 0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.293969211488, 3.080924880504, 6.376266004688]}, {"abc": [0.962864, 0.65676, 0.541304], "label": "O", "properties": {"magmom": 0.075}, "species": [{"element": "O", "occu": 1.0}], "xyz": [15.173140211488002, 4.376493619496, 3.600200995312]}, {"abc": [0.680801, 0.173803, 0.807743], "label": "O", "properties": {"magmom": 0.211}, "species": [{"element": "O", "occu": 1.0}], "xyz": [10.728294991942, 1.938563174917, 5.372280922654]}, {"abc": [0.180801, 0.826197, 0.692257], "label": "O", "properties": {"magmom": 0.211}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.849123991942, 5.518855325083, 4.604186077346]}, {"abc": [0.319199, 0.826197, 0.192257], "label": "O", "properties": {"magmom": 0.211}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.030047008058, 4.931655825083, 1.278697077346]}, {"abc": [0.819199, 0.173803, 0.307743], "label": "O", "properties": {"magmom": 0.211}, "species": [{"element": "O", "occu": 1.0}], "xyz": [12.909218008058001, 1.3513636749170002, 2.046791922654]}, {"abc": [0.5915, 0.991357, 0.340393], "label": "O", "properties": {"magmom": 0.799}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.321059293000001, 6.046348226547001, 2.263946354354]}, {"abc": [0.0915, 0.008643, 0.159607], "label": "O", "properties": {"magmom": 0.799}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.441888293, 0.236671273453, 1.061542645646]}, {"abc": [0.4085, 0.008643, 0.659607], "label": "O", "properties": {"magmom": 0.799}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.437282707, 0.8238707734530001, 4.387031645646]}, {"abc": [0.9085, 0.991357, 0.840393], "label": "O", "properties": {"magmom": 0.799}, "species": [{"element": "O", "occu": 1.0}], "xyz": [14.316453707, 6.633547726547, 5.589435354354]}], "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_NaO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.26740943\n_cell_length_b   4.64905714\n_cell_length_c   18.38670400\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.97990025\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   NaO8\n_chemical_formula_sum   'Na4 O32'\n_cell_volume   621.13339391\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  Na  Na0  1  0.95898500  0.46361500  0.18345100  1.0\n  Na  Na1  1  0.54101500  0.53638500  0.68345100  1.0\n  Na  Na2  1  0.04101500  0.53638500  0.81654900  1.0\n  Na  Na3  1  0.45898500  0.46361500  0.31654900  1.0\n  O  O4  1  0.64361500  0.08821000  0.43088700  1.0\n  O  O5  1  0.85638500  0.91179000  0.93088700  1.0\n  O  O6  1  0.35638500  0.91179000  0.56911300  1.0\n  O  O7  1  0.14361500  0.08821000  0.06911300  1.0\n  O  O8  1  0.73698800  0.01796100  0.25295900  1.0\n  O  O9  1  0.76301200  0.98203900  0.75295900  1.0\n  O  O10  1  0.26301200  0.98203900  0.74704100  1.0\n  O  O11  1  0.23698800  0.01796100  0.24704100  1.0\n  O  O12  1  0.73801400  0.30026100  0.26929700  1.0\n  O  O13  1  0.76198600  0.69973900  0.76929700  1.0\n  O  O14  1  0.26198600  0.69973900  0.73070300  1.0\n  O  O15  1  0.23801400  0.30026100  0.23070300  1.0\n  O  O16  1  0.34660100  0.56153100  0.43429600  1.0\n  O  O17  1  0.15339900  0.43846900  0.93429600  1.0\n  O  O18  1  0.65339900  0.43846900  0.56570400  1.0\n  O  O19  1  0.84660100  0.56153100  0.06570400  1.0\n  O  O20  1  0.18996700  0.44263700  0.45586400  1.0\n  O  O21  1  0.31003300  0.55736300  0.95586400  1.0\n  O  O22  1  0.81003300  0.55736300  0.54413600  1.0\n  O  O23  1  0.68996700  0.44263700  0.04413600  1.0\n  O  O24  1  0.09427600  0.30446100  0.40715400  1.0\n  O  O25  1  0.40572400  0.69553900  0.90715400  1.0\n  O  O26  1  0.90572400  0.69553900  0.59284600  1.0\n  O  O27  1  0.59427600  0.30446100  0.09284600  1.0\n  O  O28  1  0.71737100  0.86765500  0.40936100  1.0\n  O  O29  1  0.78262900  0.13234500  0.90936100  1.0\n  O  O30  1  0.28262900  0.13234500  0.59063900  1.0\n  O  O31  1  0.21737100  0.86765500  0.09063900  1.0\n  O  O32  1  0.35938600  0.94658000  0.29761500  1.0\n  O  O33  1  0.14061400  0.05342000  0.79761500  1.0\n  O  O34  1  0.64061400  0.05342000  0.70238500  1.0\n  O  O35  1  0.85938600  0.94658000  0.20238500  1.0\n", "composition": {"Na": 4.0, "O": 32.0}, "description": "", "elements": ["Na", "O"], "formula": "NaO8", "identifiers": {"materials_project_id": "mp-1201981"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.055400000000000116, "density": 1.6145738919614143, "energy_above_hull": 0.18457610388888845, "formation_energy_per_atom": -0.11800011681992355, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 12.0012447, "volume": 621.1333939124977}, "record_id": "mp-1201981", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.267409432474546, "alpha": 90.0, "b": 4.649057135233014, "beta": 90.0, "c": 18.386704, "gamma": 90.97990024704305, "matrix": [[0.228828, 0.0, 7.263806], [4.643569, 0.0, -0.22583], [0.0, 18.386704, 0.0]], "pbc": [true, true, true], "volume": 621.1333939124977}, "properties": {}, "sites": [{"abc": [0.958985, 0.463615, 0.183451], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.372270861515, 3.3730592355040003, 6.861182821459999]}, {"abc": [0.541015, 0.536385, 0.683451], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.614540138485, 12.566411235504003, 3.80869617854]}, {"abc": [0.041015, 0.536385, 0.816549], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.500126138485, 15.013644764496, 0.17679317854000004]}, {"abc": [0.458985, 0.463615, 0.316549], "label": "Na", "properties": {"magmom": 0.0}, "species": [{"element": "Na", "occu": 1.0}], "xyz": [2.257856861515, 5.820292764496001, 3.22927982146]}, {"abc": [0.643615, 0.08821, 0.430887], "label": "O", "properties": {"magmom": 0.812}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.55688635471, 7.922591726448001, 4.65517403439]}, {"abc": [0.856385, 0.91179, 0.930887], "label": "O", "properties": {"magmom": 0.812}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.42992464529, 17.115943726448002, 6.014704965609999]}, {"abc": [0.356385, 0.91179, 0.569113], "label": "O", "properties": {"magmom": 0.812}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.31551064529, 10.464112273552, 2.38280196561]}, {"abc": [0.143615, 0.08821, 0.069113], "label": "O", "properties": {"magmom": 0.812}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.44247235471, 1.270760273552, 1.02327103439]}, {"abc": [0.736988, 0.017961, 0.252959], "label": "O", "properties": {"magmom": 0.243}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.252046632873, 4.651082257136, 5.349281723698]}, {"abc": [0.763012, 0.982039, 0.752959], "label": "O", "properties": {"magmom": 0.243}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.734764367127, 13.844434257136003, 5.320597276302]}, {"abc": [0.263012, 0.982039, 0.747041], "label": "O", "properties": {"magmom": 0.243}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.620350367127, 13.735621742864, 1.688694276302]}, {"abc": [0.236988, 0.017961, 0.247041], "label": "O", "properties": {"magmom": 0.243}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.137632632873, 4.542269742864001, 1.717378723698]}, 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