raw/materials_project/materials_project-part-01.jsonl

{"cif": "# generated using pymatgen\ndata_Li2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.29066929\n_cell_length_b   3.29066917\n_cell_length_c   3.29066900\n_cell_angle_alpha   59.99999165\n_cell_angle_beta   59.99999290\n_cell_angle_gamma   59.99999982\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Li2O\n_chemical_formula_sum   'Li2 O1'\n_cell_volume   25.19634879\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  Li  Li0  1  0.75000000  0.75000000  0.75000000  1.0\n  Li  Li1  1  0.25000000  0.25000000  0.25000000  1.0\n  O  O2  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Li": 2.0, "O": 1.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O", "identifiers": {"materials_project_id": "mp-1960"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 4.8986, "density": 1.9693024788017823, "energy_above_hull": 0.0, "formation_energy_per_atom": -2.0615979138888885, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 25.196348792602333}, "record_id": "mp-1960", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.29066929378113, "alpha": 59.999991645039074, "b": 3.2906691688744707, "beta": 59.99999290067432, "c": 3.290669, "gamma": 59.99999981534343, "matrix": [[2.849803, 0.0, 1.645335], [0.949934, 2.68682, 1.645335], [0.0, 0.0, 3.290669]], "pbc": [true, true, true], "volume": 25.196348792602333}, "properties": {}, "sites": [{"abc": [0.75, 0.75, 0.75], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.8498027500000003, 2.0151149999999998, 4.93600425]}, {"abc": [0.25, 0.25, 0.25], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.94993425, 0.671705, 1.64533475]}, {"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_Li2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.04457170\n_cell_length_b   3.08088234\n_cell_length_c   5.81651896\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   Li2O\n_chemical_formula_sum   'Li8 O4'\n_cell_volume   90.39877805\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  Li  Li0  1  0.01154527  0.25000000  0.15931657  1.0\n  Li  Li1  1  0.14113996  0.25000000  0.57979029  1.0\n  Li  Li2  1  0.35886004  0.75000000  0.07979029  1.0\n  Li  Li3  1  0.48845473  0.75000000  0.65931657  1.0\n  Li  Li4  1  0.51154527  0.25000000  0.34068343  1.0\n  Li  Li5  1  0.64113996  0.25000000  0.92020971  1.0\n  Li  Li6  1  0.85886004  0.75000000  0.42020971  1.0\n  Li  Li7  1  0.98845473  0.75000000  0.84068343  1.0\n  O  O8  1  0.24646164  0.75000000  0.39962990  1.0\n  O  O9  1  0.25353836  0.25000000  0.89962990  1.0\n  O  O10  1  0.74646164  0.75000000  0.10037010  1.0\n  O  O11  1  0.75353836  0.25000000  0.60037010  1.0\n", "composition": {"Li": 8.0, "O": 4.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O", "identifiers": {"materials_project_id": "mp-755894"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 5.2421999999999995, "density": 2.195570922607838, "energy_above_hull": 0.0843597108333336, "formation_energy_per_atom": -1.9772382030555544, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 90.39877805466602}, "record_id": "mp-755894", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.0445717, "alpha": 90.0, "b": 3.08088234, "beta": 90.0, "c": 5.81651896, "gamma": 90.0, "matrix": [[5.0445717, 0.0, 0.0], [0.0, 3.08088234, 0.0], [0.0, 0.0, 5.81651896]], "pbc": [true, true, true], "volume": 90.39877805466602}, "properties": {}, "sites": [{"abc": [0.01154527, 0.25, 0.15931657], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.058240942310858995, 0.770220585, 0.9266678500471671]}, {"abc": [0.14113996, 0.25, 0.57979029], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.711990647955132, 0.770220585, 3.3723612146088984]}, {"abc": [0.35886004, 0.75, 0.07979029], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.810295202044868, 2.310661755, 0.46410173460889836]}, {"abc": [0.48845473, 0.75, 0.65931657], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.4640449076891406, 2.310661755, 3.834927330047167]}, {"abc": [0.51154527, 0.25, 0.34068343], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.580526792310859, 0.770220585, 1.981591629952833]}, {"abc": [0.64113996, 0.25, 0.92020971], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [3.2342764979551317, 0.770220585, 5.352417225391101]}, {"abc": [0.85886004, 0.75, 0.42020971], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.332581052044868, 2.310661755, 2.4441577453911014]}, {"abc": [0.98845473, 0.75, 0.84068343], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.9863307576891405, 2.310661755, 4.889851109952833]}, {"abc": [0.24646164, 0.75, 0.3996299], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.243293414279588, 2.310661755, 2.3244548903329036]}, {"abc": [0.25353836, 0.25, 0.8996299], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.278992435720412, 0.770220585, 5.2327143703329035]}, {"abc": [0.74646164, 0.75, 0.1003701], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.765579264279588, 2.310661755, 0.583804589667096]}, {"abc": [0.75353836, 0.25, 0.6003701], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8012782857204117, 0.770220585, 3.492064069667096]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2ac 2n", "number": 62, "point_group": "mmm", "symbol": "Pnma", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Li2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   9.59822986\n_cell_length_b   10.08017171\n_cell_length_c   10.38069533\n_cell_angle_alpha   88.35489624\n_cell_angle_beta   91.68455038\n_cell_angle_gamma   86.99374115\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Li2O\n_chemical_formula_sum   'Li68 O34'\n_cell_volume   1002.07490754\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  Li  Li0  1  0.59273100  0.72558500  0.32875000  1.0\n  Li  Li1  1  0.27368200  0.25075500  0.33860800  1.0\n  Li  Li2  1  0.89773400  0.17038500  0.04598800  1.0\n  Li  Li3  1  0.02541700  0.37496500  0.59328400  1.0\n  Li  Li4  1  0.64646200  0.30562900  0.99417000  1.0\n  Li  Li5  1  0.81239800  0.64752200  0.58199200  1.0\n  Li  Li6  1  0.65617500  0.98677200  0.88274800  1.0\n  Li  Li7  1  0.16768900  0.54382700  0.08125000  1.0\n  Li  Li8  1  0.97677200  0.45461100  0.05329600  1.0\n  Li  Li9  1  0.93447100  0.62469300  0.80107900  1.0\n  Li  Li10  1  0.08746200  0.07864000  0.35463200  1.0\n  Li  Li11  1  0.55797200  0.92557500  0.42161500  1.0\n  Li  Li12  1  0.80879800  0.66050400  0.36532000  1.0\n  Li  Li13  1  0.48079000  0.33576700  0.81304600  1.0\n  Li  Li14  1  0.42740900  0.33602600  0.19980800  1.0\n  Li  Li15  1  0.81312600  0.43584400  0.23024800  1.0\n  Li  Li16  1  0.39262200  0.56615800  0.95127000  1.0\n  Li  Li17  1  0.30770100  0.85035400  0.98277400  1.0\n  Li  Li18  1  0.56636900  0.18133900  0.33067000  1.0\n  Li  Li19  1  0.06633400  0.13201400  0.57907700  1.0\n  Li  Li20  1  0.21081500  0.42510300  0.79865400  1.0\n  Li  Li21  1  0.62514300  0.52108200  0.74289100  1.0\n  Li  Li22  1  0.26979400  0.49722600  0.29409000  1.0\n  Li  Li23  1  0.60227500  0.76754400  0.61894700  1.0\n  Li  Li24  1  0.55975700  0.51698100  0.10444000  1.0\n  Li  Li25  1  0.71491300  0.29014800  0.74164100  1.0\n  Li  Li26  1  0.16385100  0.64076000  0.75868300  1.0\n  Li  Li27  1  0.59907500  0.09303800  0.67165700  1.0\n  Li  Li28  1  0.02945700  0.39913300  0.38037900  1.0\n  Li  Li29  1  0.91343000  0.85910200  0.07669600  1.0\n  Li  Li30  1  0.06364700  0.93690100  0.88785700  1.0\n  Li  Li31  1  0.02386700  0.61145200  0.29973200  1.0\n  Li  Li32  1  0.32060300  0.64565800  0.50823700  1.0\n  Li  Li33  1  0.76585800  0.71394000  0.14595800  1.0\n  Li  Li34  1  0.82506600  0.82722100  0.79728500  1.0\n  Li  Li35  1  0.05372900  0.92176500  0.64444100  1.0\n  Li  Li36  1  0.10844400  0.59152700  0.52069300  1.0\n  Li  Li37  1  0.08790100  0.03957200  0.10763500  1.0\n  Li  Li38  1  0.76161200  0.49493400  0.93439300  1.0\n  Li  Li39  1  0.59321300  0.44400200  0.34622700  1.0\n  Li  Li40  1  0.63113600  0.70226500  0.89584200  1.0\n  Li  Li41  1  0.06764700  0.26318600  0.19832800  1.0\n  Li  Li42  1  0.51104600  0.14420700  0.00200900  1.0\n  Li  Li43  1  0.75293500  0.22107000  0.20304000  1.0\n  Li  Li44  1  0.89791000  0.18360500  0.38455300  1.0\n  Li  Li45  1  0.37182000  0.69376900  0.19839100  1.0\n  Li  Li46  1  0.86587100  0.95438600  0.30200200  1.0\n  Li  Li47  1  0.39921800  0.42521000  0.56057900  1.0\n  Li  Li48  1  0.01611400  0.81399300  0.41665300  1.0\n  Li  Li49  1  0.28129800  0.85272800  0.73680100  1.0\n  Li  Li50  1  0.14688100  0.16465200  0.79331100  1.0\n  Li  Li51  1  0.80448100  0.90295300  0.55578700  1.0\n  Li  Li52  1  0.55691900  0.88766800  0.08679100  1.0\n  Li  Li53  1  0.33393100  0.82494900  0.39360800  1.0\n  Li  Li54  1  0.97044900  0.31431500  0.87542900  1.0\n  Li  Li55  1  0.86839100  0.10865800  0.80897900  1.0\n  Li  Li56  1  0.77716000  0.39501300  0.52981700  1.0\n  Li  Li57  1  0.24977700  0.12109200  0.99216600  1.0\n  Li  Li58  1  0.83507900  0.11574800  0.59213600  1.0\n  Li  Li59  1  0.38203000  0.96966200  0.58363900  1.0\n  Li  Li60  1  0.38919200  0.03423600  0.17356000  1.0\n  Li  Li61  1  0.38837200  0.64555600  0.71486900  1.0\n  Li  Li62  1  0.29908500  0.17741800  0.55225800  1.0\n  Li  Li63  1  0.11150000  0.79058200  0.21270500  1.0\n  Li  Li64  1  0.39224500  0.10178500  0.82155900  1.0\n  Li  Li65  1  0.55942600  0.27719000  0.49915000  1.0\n  Li  Li66  1  0.12095500  0.71987500  0.92990800  1.0\n  Li  Li67  1  0.27111200  0.33363800  0.03560600  1.0\n  O  O68  1  0.24288200  0.17788200  0.16944200  1.0\n  O  O69  1  0.19558000  0.69385900  0.36698400  1.0\n  O  O70  1  0.06097000  0.45590000  0.21425100  1.0\n  O  O71  1  0.56729000  0.21510200  0.15007100  1.0\n  O  O72  1  0.49127200  0.09503600  0.50340500  1.0\n  O  O73  1  0.11704200  0.24172700  0.44699100  1.0\n  O  O74  1  0.57182400  0.49464000  0.91728800  1.0\n  O  O75  1  0.73489000  0.29122100  0.38113300  1.0\n  O  O76  1  0.35598400  0.51598300  0.12438200  1.0\n  O  O77  1  0.06811300  0.51741300  0.90813500  1.0\n  O  O78  1  0.67533900  0.57941900  0.23999400  1.0\n  O  O79  1  0.83251300  0.34813500  0.03583900  1.0\n  O  O80  1  0.12000400  0.85542600  0.05102300  1.0\n  O  O81  1  0.96095000  0.99328700  0.48271700  1.0\n  O  O82  1  0.02864700  0.78808000  0.76520800  1.0\n  O  O83  1  0.93737300  0.10967500  0.21876200  1.0\n  O  O84  1  0.58808500  0.39203100  0.63175900  1.0\n  O  O85  1  0.41613100  0.99363600  0.98276800  1.0\n  O  O86  1  0.74314200  0.65737600  0.75052400  1.0\n  O  O87  1  0.60586700  0.17797400  0.84636300  1.0\n  O  O88  1  0.02770500  0.11613300  0.92816500  1.0\n  O  O89  1  0.29546000  0.26759200  0.86687000  1.0\n  O  O90  1  0.41136800  0.37446400  0.38260700  1.0\n  O  O91  1  0.91492400  0.25723500  0.68848000  1.0\n  O  O92  1  0.45888100  0.85468900  0.25813700  1.0\n  O  O93  1  0.76243600  0.98814800  0.70908700  1.0\n  O  O94  1  0.22564200  0.03891500  0.67658200  1.0\n  O  O95  1  0.92019400  0.77624100  0.25366100  1.0\n  O  O96  1  0.93405700  0.53036200  0.48297000  1.0\n  O  O97  1  0.72797100  0.83014500  0.99639500  1.0\n  O  O98  1  0.31383500  0.71278800  0.86276600  1.0\n  O  O99  1  0.70586800  0.78214100  0.46864500  1.0\n  O  O100  1  0.24989700  0.52570000  0.63811800  1.0\n  O  O101  1  0.40397500  0.78733800  0.58172300  1.0\n", "composition": {"Li": 68.0, "O": 34.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O", "identifiers": {"materials_project_id": "mp-1245009"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.723, "density": 1.6835606598520736, "energy_above_hull": 0.16185090637254884, "formation_energy_per_atom": -1.8997470075163398, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0049899, "volume": 1002.0749075385974}, "record_id": "mp-1245009", "smiles": null, "source_name": "materials-project", "structure": 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{"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.981534873487001, 3.9438813388310003, 3.963309963134999]}, {"abc": [0.914924, 0.257235, 0.68848], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.738446246883, 2.946792211934, 7.045391782332999]}, {"abc": [0.458881, 0.854689, 0.258137], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.573201062048001, 8.776631781184001, 2.733737302441]}, {"abc": [0.762436, 0.988148, 0.709087], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.451414393531, 10.273151724883, 7.387698689463]}, {"abc": [0.225642, 0.038915, 0.676582], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.074370932477, 0.557134758786, 6.993712569001]}, {"abc": [0.920194, 0.776241, 0.253661], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.980124719953999, 8.111320359996999, 2.6067903490820004]}, {"abc": [0.934057, 0.530362, 0.48297], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [9.019132720818002, 5.672653856359, 4.949084738125]}, {"abc": [0.727971, 0.830145, 0.996395], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [7.039752917742001, 8.715626584116, 10.351875469797]}, {"abc": [0.313835, 0.712788, 0.862766], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0578603934200004, 7.399721002985001, 9.010141201465]}, {"abc": [0.705868, 0.782141, 0.468645], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.893796201458001, 8.145188973319, 4.870990918343999]}, {"abc": [0.249897, 0.5257, 0.638118], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.4318407155760005, 5.462794474382999, 6.661189440646999]}, {"abc": [0.403975, 0.787338, 0.581723], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.9822776725030002, 8.132503981534, 6.090584690491999]}], "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_Li2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   10.72756752\n_cell_length_b   10.40012540\n_cell_length_c   9.37080382\n_cell_angle_alpha   90.64512268\n_cell_angle_beta   89.05603496\n_cell_angle_gamma   93.60072808\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Li2O\n_chemical_formula_sum   'Li68 O34'\n_cell_volume   1043.22205714\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  Li  Li0  1  0.54903000  0.27065200  0.79238100  1.0\n  Li  Li1  1  0.58413700  0.98350100  0.25868100  1.0\n  Li  Li2  1  0.49808300  0.79277200  0.72897100  1.0\n  Li  Li3  1  0.62797800  0.49237700  0.87848600  1.0\n  Li  Li4  1  0.62456100  0.05977800  0.89744400  1.0\n  Li  Li5  1  0.17360700  0.48501100  0.47723500  1.0\n  Li  Li6  1  0.78716500  0.87634500  0.17630100  1.0\n  Li  Li7  1  0.10350200  0.30908700  0.35775700  1.0\n  Li  Li8  1  0.62872100  0.32900800  0.32690800  1.0\n  Li  Li9  1  0.87963300  0.45175500  0.39918000  1.0\n  Li  Li10  1  0.69540000  0.70844000  0.82256500  1.0\n  Li  Li11  1  0.34277800  0.34729300  0.66260000  1.0\n  Li  Li12  1  0.86883600  0.02097000  0.01000600  1.0\n  Li  Li13  1  0.93989400  0.14766600  0.22253300  1.0\n  Li  Li14  1  0.33338900  0.29343800  0.41889400  1.0\n  Li  Li15  1  0.62099200  0.62615800  0.40724200  1.0\n  Li  Li16  1  0.27193100  0.69782900  0.34174700  1.0\n  Li  Li17  1  0.35190600  0.67212100  0.10291700  1.0\n  Li  Li18  1  0.27807300  0.15793800  0.94451500  1.0\n  Li  Li19  1  0.85236900  0.89828600  0.75571500  1.0\n  Li  Li20  1  0.78092400  0.24579200  0.44875300  1.0\n  Li  Li21  1  0.38350100  0.35838500  0.89948200  1.0\n  Li  Li22  1  0.92777100  0.36838900  0.16289700  1.0\n  Li  Li23  1  0.21808000  0.37564400  0.09270100  1.0\n  Li  Li24  1  0.24629800  0.68381900  0.73535800  1.0\n  Li  Li25  1  0.45282900  0.59575700  0.89664000  1.0\n  Li  Li26  1  0.32309600  0.92159900  0.87155300  1.0\n  Li  Li27  1  0.08484100  0.93104600  0.65879900  1.0\n  Li  Li28  1  0.72368400  0.14229600  0.15146700  1.0\n  Li  Li29  1  0.99194700  0.26577200  0.56358500  1.0\n  Li  Li30  1  0.73947100  0.03591400  0.67684400  1.0\n  Li  Li31  1  0.59906900  0.16061800  0.56253200  1.0\n  Li  Li32  1  0.06392300  0.94509900  0.08105900  1.0\n  Li  Li33  1  0.49647800  0.80445200  0.39704900  1.0\n  Li  Li34  1  0.22719700  0.50037600  0.90318200  1.0\n  Li  Li35  1  0.20492000  0.76462700  0.97889900  1.0\n  Li  Li36  1  0.28154800  0.92297500  0.50308600  1.0\n  Li  Li37  1  0.83544100  0.65200400  0.28214000  1.0\n  Li  Li38  1  0.95792700  0.50513100  0.81071700  1.0\n  Li  Li39  1  0.68670100  0.82758400  0.56893500  1.0\n  Li  Li40  1  0.82807400  0.57971500  0.58819900  1.0\n  Li  Li41  1  0.59042100  0.83832200  0.96399300  1.0\n  Li  Li42  1  0.07766400  0.59079500  0.07392400  1.0\n  Li  Li43  1  0.82435900  0.23625800  0.85788300  1.0\n  Li  Li44  1  0.06093700  0.83373000  0.28909100  1.0\n  Li  Li45  1  0.27016700  0.90568500  0.20877800  1.0\n  Li  Li46  1  0.41327700  0.04672900  0.09146100  1.0\n  Li  Li47  1  0.51424700  0.53291000  0.14786900  1.0\n  Li  Li48  1  0.40776400  0.10103600  0.73324300  1.0\n  Li  Li49  1  0.88913700  0.80664600  0.45353700  1.0\n  Li  Li50  1  0.09212100  0.71327700  0.52215000  1.0\n  Li  Li51  1  0.47012700  0.12650100  0.38311000  1.0\n  Li  Li52  1  0.77762600  0.99326900  0.38494400  1.0\n  Li  Li53  1  0.61564300  0.54310300  0.64753200  1.0\n  Li  Li54  1  0.99146500  0.00605600  0.43018300  1.0\n  Li  Li55  1  0.24579900  0.14472500  0.59057000  1.0\n  Li  Li56  1  0.05007400  0.58676300  0.28806400  1.0\n  Li  Li57  1  0.13508500  0.01189400  0.87004900  1.0\n  Li  Li58  1  0.53078300  0.36974500  0.53193300  1.0\n  Li  Li59  1  0.12165000  0.33932500  0.72591700  1.0\n  Li  Li60  1  0.98666500  0.73961400  0.89772600  1.0\n  Li  Li61  1  0.34069900  0.48647400  0.25489700  1.0\n  Li  Li62  1  0.02118600  0.26883600  0.92391700  1.0\n  Li  Li63  1  0.45003300  0.30557500  0.10995000  1.0\n  Li  Li64  1  0.78871700  0.57855500  0.00960700  1.0\n  Li  Li65  1  0.59783900  0.73222000  0.18573000  1.0\n  Li  Li66  1  0.77805800  0.36963600  0.68304400  1.0\n  Li  Li67  1  0.41104100  0.61698200  0.50720700  1.0\n  O  O68  1  0.93950700  0.96610800  0.23102400  1.0\n  O  O69  1  0.55768600  0.69522500  0.57695400  1.0\n  O  O70  1  0.70769200  0.43109900  0.48914400  1.0\n  O  O71  1  0.24615300  0.64149000  0.53833500  1.0\n  O  O72  1  0.90812500  0.54849900  0.14294400  1.0\n  O  O73  1  0.36805200  0.48151400  0.04132500  1.0\n  O  O74  1  0.49054600  0.43806900  0.75102400  1.0\n  O  O75  1  0.68995100  0.19380100  0.73365000  1.0\n  O  O76  1  0.78240100  0.55714500  0.78438900  1.0\n  O  O77  1  0.10676200  0.62100800  0.87201600  1.0\n  O  O78  1  0.45657800  0.18316100  0.94581300  1.0\n  O  O79  1  0.65802700  0.13768000  0.35997800  1.0\n  O  O80  1  0.88076000  0.20958200  0.04744900  1.0\n  O  O81  1  0.94294800  0.63204900  0.44607000  1.0\n  O  O82  1  0.41264400  0.95703900  0.32311000  1.0\n  O  O83  1  0.71406600  0.78575500  0.33298100  1.0\n  O  O84  1  0.20055400  0.31045600  0.89781100  1.0\n  O  O85  1  0.42931100  0.20611700  0.57013400  1.0\n  O  O86  1  0.61965900  0.64092900  0.00753400  1.0\n  O  O87  1  0.18525700  0.30666500  0.54093100  1.0\n  O  O88  1  0.94864900  0.32929200  0.74529900  1.0\n  O  O89  1  0.98213600  0.91746500  0.88626100  1.0\n  O  O90  1  0.16180100  0.44896600  0.26117400  1.0\n  O  O91  1  0.46299100  0.35328500  0.29863200  1.0\n  O  O92  1  0.44870300  0.65146500  0.28710800  1.0\n  O  O93  1  0.25251900  0.00596900  0.71604900  1.0\n  O  O94  1  0.93529700  0.27437400  0.36994200  1.0\n  O  O95  1  0.23800200  0.99640100  0.03439700  1.0\n  O  O96  1  0.85123800  0.95416000  0.56089000  1.0\n  O  O97  1  0.66188000  0.88835900  0.77843700  1.0\n  O  O98  1  0.37401800  0.75550800  0.88444600  1.0\n  O  O99  1  0.10934200  0.89044900  0.46811400  1.0\n  O  O100  1  0.17273300  0.73732500  0.17719500  1.0\n  O  O101  1  0.66558700  0.97599700  0.07944300  1.0\n", "composition": {"Li": 68.0, "O": 34.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O", "identifiers": {"materials_project_id": "mp-1245092"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.461, "density": 1.6171570386254213, "energy_above_hull": 0.17322202568627443, "formation_energy_per_atom": -1.888375888202614, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0073539, "volume": 1043.2220571422533}, "record_id": "mp-1245092", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 10.727567522609634, "alpha": 90.64512268418984, "b": 10.40012539573466, "beta": 89.05603495822335, "c": 9.370803819008216, "gamma": 93.60072808028352, "matrix": [[10.721713, -0.341418, 0.094916], [-0.321828, 10.394861, -0.07681], [0.070423, -0.034141, 9.370477]], "pbc": [true, true, true], "volume": 1043.2220571422533}, "properties": {}, "sites": [{"abc": [0.54903, 0.270652, 0.792381], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [5.855240543697, 2.5988885151110006, 7.456310887097]}, {"abc": [0.584137, 0.983501, 0.258681], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [5.964648198916, 10.015089674074002, 2.4038655965189997]}, {"abc": [0.498083, 0.792772, 0.728971], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [5.136503073695999, 8.045812444087002, 6.817189217875]}, {"abc": [0.627978, 0.492377, 0.878486], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.636404800736, 4.8737950912670005, 8.2536185403]}, {"abc": [0.624561, 0.059778, 0.897444], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.740326257621001, 0.377507997756, 8.464167644484]}, {"abc": [0.173607, 0.485011, 0.477235], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.738882629088, 4.966056093610001, 4.451143978197]}, {"abc": [0.787165, 0.876345, 0.176301], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.170140500307998, 8.834713070634, 1.659426959267]}, {"abc": [0.103502, 0.309087, 0.357757], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.035440209101, 3.1653647743340003, 3.338436763451]}, {"abc": [0.628721, 0.329008, 0.326908], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.658103974533, 3.194174795482, 3.0976884730719996]}, {"abc": [0.879633, 0.451755, 0.39918], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [9.313896616329, 4.381979487081, 3.7892989531379992]}, {"abc": [0.6954, 0.70844, 0.822565], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.285810886875, 7.098630057975, 7.719415723504999]}, {"abc": [0.342778, 0.347293, 0.6626], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [3.61006100691, 3.4704100554690003, 6.214737601517999]}, {"abc": [0.868836, 0.02097, 0.010006], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [9.309366155446, -0.07899762912400003, 0.17461672493799998]}, {"abc": [0.939894, 0.147666, 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{"cif": "# generated using pymatgen\ndata_Li2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   10.11815425\n_cell_length_b   9.71550927\n_cell_length_c   10.05902595\n_cell_angle_alpha   96.37024057\n_cell_angle_beta   91.51237550\n_cell_angle_gamma   91.25258599\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Li2O\n_chemical_formula_sum   'Li68 O34'\n_cell_volume   982.07909826\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  Li  Li0  1  0.90376500  0.72030900  0.88544300  1.0\n  Li  Li1  1  0.16859500  0.39748400  0.01327700  1.0\n  Li  Li2  1  0.80289900  0.31902600  0.43608800  1.0\n  Li  Li3  1  0.17676500  0.52008900  0.80957100  1.0\n  Li  Li4  1  0.76202400  0.70803400  0.08755600  1.0\n  Li  Li5  1  0.97809400  0.92649700  0.96040600  1.0\n  Li  Li6  1  0.11587500  0.25079700  0.63095500  1.0\n  Li  Li7  1  0.45268300  0.82924700  0.90016100  1.0\n  Li  Li8  1  0.22914100  0.63838700  0.62654000  1.0\n  Li  Li9  1  0.84740500  0.47926400  0.19084200  1.0\n  Li  Li10  1  0.67926900  0.30849900  0.92448600  1.0\n  Li  Li11  1  0.81135900  0.07508700  0.91639200  1.0\n  Li  Li12  1  0.46090900  0.55592300  0.91367500  1.0\n  Li  Li13  1  0.25260300  0.13909900  0.40785900  1.0\n  Li  Li14  1  0.24876500  0.38336800  0.51996900  1.0\n  Li  Li15  1  0.79887700  0.56149600  0.42216400  1.0\n  Li  Li16  1  0.56102900  0.67157200  0.34832500  1.0\n  Li  Li17  1  0.44604500  0.04907300  0.00566900  1.0\n  Li  Li18  1  0.31860700  0.56840000  0.17195000  1.0\n  Li  Li19  1  0.76522600  0.07986400  0.43813200  1.0\n  Li  Li20  1  0.21675900  0.02409800  0.99068300  1.0\n  Li  Li21  1  0.23481200  0.71153300  0.96489800  1.0\n  Li  Li22  1  0.40870800  0.37203000  0.68348400  1.0\n  Li  Li23  1  0.61516700  0.51409500  0.15621900  1.0\n  Li  Li24  1  0.20617600  0.99916700  0.58456900  1.0\n  Li  Li25  1  0.42053400  0.98924700  0.67615800  1.0\n  Li  Li26  1  0.67479300  0.56196800  0.88876100  1.0\n  Li  Li27  1  0.24352600  0.15244500  0.80306100  1.0\n  Li  Li28  1  0.89859200  0.74885400  0.27308900  1.0\n  Li  Li29  1  0.55005900  0.06033100  0.29095300  1.0\n  Li  Li30  1  0.47398600  0.77777200  0.12205700  1.0\n  Li  Li31  1  0.56469600  0.91031300  0.48529400  1.0\n  Li  Li32  1  0.08283800  0.46855300  0.25618700  1.0\n  Li  Li33  1  0.66896000  0.86045300  0.90492900  1.0\n  Li  Li34  1  0.03576700  0.62405800  0.04029800  1.0\n  Li  Li35  1  0.99075200  0.59950000  0.69831000  1.0\n  Li  Li36  1  0.10274200  0.77991900  0.45910100  1.0\n  Li  Li37  1  0.95479000  0.09110500  0.72132200  1.0\n  Li  Li38  1  0.04788400  0.17116400  0.93205400  1.0\n  Li  Li39  1  0.90972100  0.43134600  0.89223200  1.0\n  Li  Li40  1  0.77339700  0.67716100  0.66201100  1.0\n  Li  Li41  1  0.66670000  0.92744700  0.70111400  1.0\n  Li  Li42  1  0.69037700  0.41711300  0.71383900  1.0\n  Li  Li43  1  0.77627400  0.17265100  0.65924800  1.0\n  Li  Li44  1  0.54905600  0.16454100  0.75906200  1.0\n  Li  Li45  1  0.59476900  0.39642600  0.35759100  1.0\n  Li  Li46  1  0.88119600  0.28981200  0.03281500  1.0\n  Li  Li47  1  0.80513600  0.22468200  0.21232300  1.0\n  Li  Li48  1  0.20252800  0.85399300  0.78143100  1.0\n  Li  Li49  1  0.35518100  0.96655800  0.20592500  1.0\n  Li  Li50  1  0.98432100  0.84305000  0.71749500  1.0\n  Li  Li51  1  0.99314600  0.02304100  0.42607200  1.0\n  Li  Li52  1  0.32536500  0.27537000  0.20261500  1.0\n  Li  Li53  1  0.44329900  0.72315400  0.61217200  1.0\n  Li  Li54  1  0.68368400  0.83950300  0.28083900  1.0\n  Li  Li55  1  0.31590800  0.82545200  0.40367300  1.0\n  Li  Li56  1  0.80537500  0.81504400  0.49006300  1.0\n  Li  Li57  1  0.90480900  0.96500600  0.18181200  1.0\n  Li  Li58  1  0.08784700  0.21634500  0.17289200  1.0\n  Li  Li59  1  0.02907500  0.29938300  0.42322100  1.0\n  Li  Li60  1  0.02731800  0.54341300  0.47435900  1.0\n  Li  Li61  1  0.33255200  0.53572500  0.38923100  1.0\n  Li  Li62  1  0.59283700  0.23363900  0.50428500  1.0\n  Li  Li63  1  0.38320400  0.34278300  0.95488300  1.0\n  Li  Li64  1  0.91899700  0.36928000  0.65496500  1.0\n  Li  Li65  1  0.58153100  0.24887500  0.17330700  1.0\n  Li  Li66  1  0.13273700  0.81609800  0.22924200  1.0\n  Li  Li67  1  0.56035000  0.55341000  0.56125000  1.0\n  O  O68  1  0.93829700  0.11204500  0.07840300  1.0\n  O  O69  1  0.62467900  0.74903400  0.56203100  1.0\n  O  O70  1  0.92231900  0.42408700  0.35125500  1.0\n  O  O71  1  0.29678500  0.18914900  0.62758400  1.0\n  O  O72  1  0.73572000  0.64764100  0.25867000  1.0\n  O  O73  1  0.18755400  0.64967300  0.31617400  1.0\n  O  O74  1  0.54054200  0.37955500  0.82906200  1.0\n  O  O75  1  0.62412300  0.07694600  0.59289800  1.0\n  O  O76  1  0.29347300  0.52831200  0.97457400  1.0\n  O  O77  1  0.09539800  0.44569900  0.63036300  1.0\n  O  O78  1  0.71543500  0.35189400  0.09877400  1.0\n  O  O79  1  0.43706900  0.13168800  0.17622400  1.0\n  O  O80  1  0.67397800  0.20267600  0.33567500  1.0\n  O  O81  1  0.82747600  0.89245500  0.81821200  1.0\n  O  O82  1  0.32330000  0.87317700  0.02882500  1.0\n  O  O83  1  0.83995000  0.92710000  0.34987200  1.0\n  O  O84  1  0.46734400  0.49941100  0.26483500  1.0\n  O  O85  1  0.23216100  0.22118800  0.98919800  1.0\n  O  O86  1  0.82569800  0.55145500  0.79071500  1.0\n  O  O87  1  0.29878500  0.83580700  0.61705900  1.0\n  O  O88  1  0.84773300  0.24088000  0.83022400  1.0\n  O  O89  1  0.10231700  0.01708600  0.79943600  1.0\n  O  O90  1  0.19001500  0.30097900  0.33275400  1.0\n  O  O91  1  0.68277200  0.42020300  0.53406500  1.0\n  O  O92  1  0.49544700  0.86416400  0.30720600  1.0\n  O  O93  1  0.37887200  0.53012300  0.58197800  1.0\n  O  O94  1  0.93540500  0.18093000  0.55036400  1.0\n  O  O95  1  0.00254700  0.44107200  0.06152100  1.0\n  O  O96  1  0.16671200  0.95616900  0.38548500  1.0\n  O  O97  1  0.94533000  0.78587700  0.09092700  1.0\n  O  O98  1  0.58945200  0.70747600  0.98023200  1.0\n  O  O99  1  0.94551000  0.71089600  0.55127500  1.0\n  O  O100  1  0.09756100  0.70284800  0.83206700  1.0\n  O  O101  1  0.53248500  0.99053800  0.84338600  1.0\n", "composition": {"Li": 68.0, "O": 34.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O", "identifiers": {"materials_project_id": "mp-1245224"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.736, "density": 1.7178391186021913, "energy_above_hull": 0.14968582284313658, "formation_energy_per_atom": -1.9119120910457517, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0030762, "volume": 982.0790982624993}, "record_id": "mp-1245224", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 10.118154249871713, "alpha": 96.37024057104007, "b": 9.715509266723695, "beta": 91.51237549872722, "c": 10.0590259498694, "gamma": 91.25258598648244, "matrix": [[10.116656, -0.104894, -0.138975], [-0.119323, 9.699508, -0.544451], [-0.133329, -0.555839, 10.042772]], "pbc": [true, true, true], "volume": 982.0790982624994}, "properties": {}, "sites": [{"abc": [0.903765, 0.720309, 0.885443], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.939074949286, 6.399679630384999, 8.374528471761998]}, {"abc": [0.168595, 0.397484, 0.013277], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.6564184258549999, 3.8303347595390003, -0.10650316756500003]}, {"abc": [0.802899, 0.319026, 0.436088], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.026442669394001, 2.7677812336699996, 4.094255442684999]}, {"abc": [0.176765, 0.520089, 0.809571], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.6182728262340003, 4.576074693233, 7.822608078797999]}, {"abc": [0.762024, 0.708034, 0.087556], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.612976176838001, 6.738982662332, 0.3879128404979998]}, {"abc": [0.978094, 0.926497, 0.960406], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [9.656438160559, 8.350137760806, 9.004775653634999]}, {"abc": [0.115875, 0.250797, 0.630955], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.058217064374, 2.069743519381, 6.183886801688]}, {"abc": [0.452683, 0.829247, 0.900161], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.360672382298, 7.495459589795, 8.525715707969999]}, {"abc": [0.229141, 0.638387, 0.62654], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.1584304688350002, 5.8197489304820005, 5.912783057867999]}, {"abc": [0.847405, 0.479264, 0.190842], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.49027288639, 4.453659875604, 1.537878820085]}, {"abc": [0.679269, 0.308499, 0.924486], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.711858984393001, 2.407171902252, 9.022038116868]}, {"abc": [0.811359, 0.075087, 0.916392], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.077098660435, 0.13383385336200004, 9.049476109361999]}, {"abc": [0.460909, 0.555923, 0.913675], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.474704026100001, 4.835976798912999, 8.809102045552]}, {"abc": [0.252603, 0.139099, 0.407859], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.4845205129800005, 1.095991385509, 3.985196853574]}, {"abc": [0.248765, 0.383368, 0.519969], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.4015983631749998, 3.403367978043, 4.978632907225]}, {"abc": [0.798877, 0.561496, 0.422164], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.958677704147999, 5.127782324334, 3.8229658088369995]}, {"abc": [0.561029, 0.671572, 0.348325], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [5.549161589343, 6.261456790975, 3.054541504653]}, {"abc": [0.446045, 0.049073, 0.005669], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.50587244584, 0.42604546056299997, -0.031774473330000004]}, {"abc": [0.318607, 0.5684, 0.17195], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [3.1324883034419995, 5.3842038684919995, 1.3731102891749998]}, {"abc": [0.765226, 0.079864, 0.438132], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.673582890756, 0.45084303812000004, 4.25023046389]}, {"abc": [0.216759, 0.024098, 0.990683], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.0579140185430003, -0.339658222799, 9.905959231052998]}, {"abc": [0.234812, 0.711533, 0.964898], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.1619610910710003, 6.340561716413999, 9.270222766173]}, {"abc": [0.408708, 0.37203, 0.683484], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [3.999238266522001, 3.1857298812120005, 6.604721677818]}, {"abc": [0.615167, 0.514095, 0.156219], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.141261040816001, 4.8351086252209985, 1.203479428398]}, {"abc": [0.206176, 0.999167, 0.584569], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.8886480633140004, 9.344875436101, 5.298042403350999]}, {"abc": [0.420534, 0.989247, 0.676158], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.046206424541, 9.175262710518, 6.193460398929]}, {"abc": [0.674793, 0.561968, 0.888761], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.641095329175, 4.886023349323, 8.525880688749]}, {"abc": [0.243526, 0.152445, 0.803061], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.338407254252, 1.006724457637, 7.948115666546999]}, {"abc": [0.898592, 0.748854, 0.273089], "label": "Li", "properties": {"magmom": 0.0}, 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[0.792186483069, 6.344550946037, 7.9600343333009995]}, {"abc": [0.532485, 0.990538, 0.843386], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.156325792392, 9.08308994286, 7.856631798478999]}], "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_Li2O\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   9.57315243\n_cell_length_b   10.14605409\n_cell_length_c   10.10366749\n_cell_angle_alpha   86.13106221\n_cell_angle_beta   89.99998293\n_cell_angle_gamma   90.33051888\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Li2O\n_chemical_formula_sum   'Li68 O34'\n_cell_volume   979.11352344\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  Li  Li0  1  0.73560900  0.29166000  0.43267100  1.0\n  Li  Li1  1  0.20629000  0.34873400  0.63873300  1.0\n  Li  Li2  1  0.94032400  0.84400400  0.96894700  1.0\n  Li  Li3  1  0.15756800  0.96613100  0.14521200  1.0\n  Li  Li4  1  0.73986100  0.82144300  0.19359300  1.0\n  Li  Li5  1  0.85200200  0.49104700  0.54630000  1.0\n  Li  Li6  1  0.19749000  0.77097800  0.85251600  1.0\n  Li  Li7  1  0.88449100  0.33612900  0.24700900  1.0\n  Li  Li8  1  0.19586100  0.39531900  0.20868600  1.0\n  Li  Li9  1  0.10491800  0.61031600  0.53175000  1.0\n  Li  Li10  1  0.49804200  0.55274800  0.95210900  1.0\n  Li  Li11  1  0.28896300  0.57858300  0.06008400  1.0\n  Li  Li12  1  0.61625000  0.70587500  0.52385200  1.0\n  Li  Li13  1  0.94950100  0.31040800  0.47409300  1.0\n  Li  Li14  1  0.42386400  0.45646900  0.76033900  1.0\n  Li  Li15  1  0.41880000  0.23724800  0.64591800  1.0\n  Li  Li16  1  0.82236100  0.54172000  0.17188900  1.0\n  Li  Li17  1  0.26622300  0.28053400  0.96522100  1.0\n  Li  Li18  1  0.16025700  0.97731700  0.92442600  1.0\n  Li  Li19  1  0.25953600  0.39177300  0.42295600  1.0\n  Li  Li20  1  0.64952800  0.30222800  0.12963400  1.0\n  Li  Li21  1  0.23883800  0.82554900  0.62125900  1.0\n  Li  Li22  1  0.42589400  0.56939300  0.42158700  1.0\n  Li  Li23  1  0.82321400  0.66230500  0.39400600  1.0\n  Li  Li24  1  0.04931700  0.15984900  0.87881400  1.0\n  Li  Li25  1  0.51926200  0.89463200  0.10858000  1.0\n  Li  Li26  1  0.44639400  0.81259400  0.35060500  1.0\n  Li  Li27  1  0.86607900  0.12929700  0.68354600  1.0\n  Li  Li28  1  0.68689100  0.64255300  0.74819200  1.0\n  Li  Li29  1  0.73774300  0.94756500  0.79701400  1.0\n  Li  Li30  1  0.45903900  0.81310600  0.85733400  1.0\n  Li  Li31  1  0.44906500  0.23464300  0.39711800  1.0\n  Li  Li32  1  0.71828900  0.29431400  0.81188300  1.0\n  Li  Li33  1  0.26602500  0.05943000  0.62655000  1.0\n  Li  Li34  1  0.18057000  0.84821500  0.39523800  1.0\n  Li  Li35  1  0.64697300  0.51141800  0.30316000  1.0\n  Li  Li36  1  0.95446700  0.62912700  0.73491800  1.0\n  Li  Li37  1  0.15228900  0.52006400  0.83081200  1.0\n  Li  Li38  1  0.06968000  0.99685000  0.70682600  1.0\n  Li  Li39  1  0.61667500  0.40933200  0.64264800  1.0\n  Li  Li40  1  0.53676000  0.09949200  0.19652800  1.0\n  Li  Li41  1  0.96023000  0.35152400  0.00415600  1.0\n  Li  Li42  1  0.33005000  0.04572200  0.38582600  1.0\n  Li  Li43  1  0.66502100  0.67730700  0.02836600  1.0\n  Li  Li44  1  0.11757200  0.14598100  0.42539800  1.0\n  Li  Li45  1  0.01287800  0.73785300  0.17724100  1.0\n  Li  Li46  1  0.62142200  0.06010600  0.44767900  1.0\n  Li  Li47  1  0.30875500  0.13978100  0.15715200  1.0\n  Li  Li48  1  0.07713200  0.20132000  0.20462800  1.0\n  Li  Li49  1  0.74999900  0.45215000  0.94787700  1.0\n  Li  Li50  1  0.49765200  0.62705000  0.18778800  1.0\n  Li  Li51  1  0.00816000  0.51288600  0.33923400  1.0\n  Li  Li52  1  0.31003200  0.81250300  0.09863100  1.0\n  Li  Li53  1  0.36454800  0.09988100  0.83560900  1.0\n  Li  Li54  1  0.96321200  0.37288700  0.71533200  1.0\n  Li  Li55  1  0.31418100  0.60875900  0.62133100  1.0\n  Li  Li56  1  0.22453600  0.64946000  0.32647200  1.0\n  Li  Li57  1  0.98372000  0.58352500  0.01125700  1.0\n  Li  Li58  1  0.98592000  0.79581900  0.52986600  1.0\n  Li  Li59  1  0.77845700  0.11389300  0.24203400  1.0\n  Li  Li60  1  0.83788200  0.07745800  0.00487100  1.0\n  Li  Li61  1  0.60597800  0.13784300  0.97638700  1.0\n  Li  Li62  1  0.50289400  0.33014900  0.91742600  1.0\n  Li  Li63  1  0.75293600  0.84393800  0.62005300  1.0\n  Li  Li64  1  0.91853900  0.03278600  0.46289600  1.0\n  Li  Li65  1  0.63243700  0.14222400  0.64098300  1.0\n  Li  Li66  1  0.44556400  0.38410600  0.16565000  1.0\n  Li  Li67  1  0.47940200  0.94145300  0.66468300  1.0\n  O  O68  1  0.13140900  0.81076200  0.03360200  1.0\n  O  O69  1  0.08160100  0.43094300  0.51986900  1.0\n  O  O70  1  0.14072900  0.13227200  0.04505300  1.0\n  O  O71  1  0.45520000  0.22402000  0.06728600  1.0\n  O  O72  1  0.79773600  0.30601100  0.62651700  1.0\n  O  O73  1  0.62345600  0.20892600  0.31524600  1.0\n  O  O74  1  0.33402400  0.52029700  0.25355500  1.0\n  O  O75  1  0.78560600  0.25796600  0.99699300  1.0\n  O  O76  1  0.03630100  0.71095700  0.36309000  1.0\n  O  O77  1  0.01714300  0.44685300  0.15495300  1.0\n  O  O78  1  0.81699200  0.46272900  0.36656000  1.0\n  O  O79  1  0.62432300  0.49336800  0.11372800  1.0\n  O  O80  1  0.61011300  0.69896500  0.33683700  1.0\n  O  O81  1  0.11162700  0.96835200  0.52178800  1.0\n  O  O82  1  0.76582100  0.01935300  0.57644800  1.0\n  O  O83  1  0.95713800  0.48274800  0.85956400  1.0\n  O  O84  1  0.54232700  0.18895900  0.79339800  1.0\n  O  O85  1  0.46365800  0.73136300  0.02967800  1.0\n  O  O86  1  0.81998400  0.67467700  0.59015300  1.0\n  O  O87  1  0.68521800  0.99327700  0.11955300  1.0\n  O  O88  1  0.92889600  0.00555400  0.84500500  1.0\n  O  O89  1  0.30032900  0.92479800  0.78107100  1.0\n  O  O90  1  0.60764000  0.81277300  0.73771800  1.0\n  O  O91  1  0.25764400  0.22951500  0.31845000  1.0\n  O  O92  1  0.34659500  0.94134300  0.23065000  1.0\n  O  O93  1  0.60978200  0.48021900  0.81243000  1.0\n  O  O94  1  0.44644700  0.08778300  0.53530600  1.0\n  O  O95  1  0.94007100  0.17702900  0.34024600  1.0\n  O  O96  1  0.40356900  0.42561500  0.57557000  1.0\n  O  O97  1  0.84703400  0.71122500  0.08042900  1.0\n  O  O98  1  0.31902300  0.46434700  0.91813700  1.0\n  O  O99  1  0.32437800  0.72430000  0.47262200  1.0\n  O  O100  1  0.18517300  0.19078300  0.73889900  1.0\n  O  O101  1  0.14464400  0.67363700  0.70441600  1.0\n", "composition": {"Li": 68.0, "O": 34.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O", "identifiers": {"materials_project_id": "mp-1245303"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.7845, "density": 1.7230421724991842, "energy_above_hull": 0.15857413774509688, "formation_energy_per_atom": -1.903023776143791, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0038972, "volume": 979.113523443191}, "record_id": "mp-1245303", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 9.57315243047336, "alpha": 86.13106220519246, "b": 10.146054088976166, "beta": 89.99998293316617, "c": 10.103667485433098, "gamma": 90.33051888498589, "matrix": [[9.573134, -0.012479, 0.014041], [-0.045815, 10.140122, 0.343861], [-0.014365, 0.339642, 10.097947]], "pbc": [true, true, true], "volume": 979.113523443191}, "properties": {}, "sites": [{"abc": [0.735609, 0.29166, 0.432671], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.022505806790999, 3.0952415615909996, 4.479708011665999]}, {"abc": [0.20629, 0.348734, 0.638733], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.949689165105, 3.750571566224, 6.572704521015]}, {"abc": [0.940324, 0.844004, 0.968947], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.949260688501, 8.875664322266, 10.087798600536999]}, {"abc": [0.157568, 0.966131, 0.145212], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.4620703159669999, 9.844040011014, 1.800770263843]}, {"abc": [0.739861, 0.821443, 0.193593], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.042373119883999, 8.386051824333, 2.247742453295]}, {"abc": [0.852002, 0.491047, 0.5463], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.125984396463, 5.154190779376, 5.6973233186489995]}, {"abc": [0.19749, 0.770978, 0.852516], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.84302948425, 8.104896740878, 8.8765436078]}, {"abc": [0.884491, 0.336129, 0.247009], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.448402830374, 3.4812461353270003, 2.6222845827229997]}, {"abc": [0.195861, 0.395319, 0.208686], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.8538942839989998, 4.077017269910999, 2.2459850386020004]}, {"abc": [0.104918, 0.610316, 0.53175], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.968793856722, 6.36797406033, 5.580920340963999]}, {"abc": [0.498042, 0.552748, 0.952109], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.728821608222999, 5.922093294115999, 9.811407707973]}, {"abc": [0.288963, 0.578583, 0.060084], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.7389106332370003, 5.883703287776999, 0.809734505994]}, {"abc": [0.61625, 0.705875, 0.523852], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [5.859579030395, 7.327890573984, 5.541205381469]}, {"abc": [0.949501, 0.310408, 0.474093], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [9.068668617669, 3.2967480615029996, 4.907435135899999]}, {"abc": [0.423864, 0.456469, 0.760339], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.025871472806, 4.881605008999999, 7.840776285265999]}, {"abc": [0.4188, 0.237248, 0.645918], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [3.9890803900099994, 2.619878340412, 6.609906435674]}, {"abc": [0.822361, 0.54172, 0.171889], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.845283962089, 5.541225370659, 1.9335491636039999]}, {"abc": [0.266223, 0.280534, 0.965221], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.5218703880069997, 3.169156379213, 9.846953240204]}, {"abc": [0.160257, 0.977317, 0.924426], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.476106577593, 10.222087661062998, 9.673116122896]}, {"abc": [0.259536, 0.391773, 0.422956], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.4605480628889995, 4.113040888314, 4.409346871861]}, {"abc": [0.649528, 0.302228, 0.129634], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.202309812522, 3.1005524829319997, 1.4220817063539999]}, {"abc": [0.238838, 0.825549, 0.621259], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.239681265322, 8.579192766854, 6.56066808432]}, {"abc": [0.425894, 0.569393, 0.421587], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.044997494246, 5.911588406574, 4.458935205916]}, {"abc": [0.823214, 0.662305, 0.394006], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.844734532911, 6.839401599556, 4.2179513130610005]}, {"abc": [0.049317, 0.159849, 0.878814], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.452170604433, 1.9187550793229997, 8.929875491844]}, {"abc": [0.519262, 0.894632, 0.10858], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.928417390328, 9.102076082966, 1.411355097154]}, {"abc": [0.446394, 0.812594, 0.350605], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.231124143861, 8.353311929152, 3.826077911523]}, {"abc": [0.866079, 0.129297, 0.683546], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [8.275347441241, 1.532440484925, 6.959032091017999]}, {"abc": [0.686891, 0.642553, 0.748192], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.535513242619, 6.761111525941001, 7.785796715487999]}, {"abc": [0.737743, 0.947565, 0.797014], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [7.007650799977, 9.869917837021, 8.384394428185999]}, {"abc": [0.459039, 0.813106, 0.857334], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.344873803925999, 8.530452325678999, 8.943354102163]}, {"abc": [0.449065, 0.234643, 0.397118], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.282504650595, 2.508582716067, 4.097066415034001]}, {"abc": [0.718289, 0.294314, 0.811883], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [6.851130152521, 3.2511659037630003, 8.309640106404]}, {"abc": [0.266025, 0.05943, 0.62655], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.53496979615, 0.8121104195850001, 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8.484594655701999, 7.737450074739]}, {"abc": [0.257644, 0.229515, 0.31845], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.4513707723209994, 2.432253956254, 3.2982300589689997]}, {"abc": [0.346595, 0.941343, 0.23065], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.271559461935, 9.619346132141, 2.657649161268]}, {"abc": [0.609782, 0.480219, 0.81243], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.803853006353, 5.1378051272, 8.377565615831]}, {"abc": [0.446447, 0.087783, 0.535306], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.262185506063, 1.066371517865, 5.4419453292719995]}, {"abc": [0.940071, 0.177029, 0.340246], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.986427435088999, 1.898926343461, 3.509858980842]}, {"abc": [0.403569, 0.425615, 0.57557], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.835652500971, 4.506239633419, 5.964094266634]}, {"abc": [0.847034, 0.711225, 0.080429], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [8.075029848596001, 7.2286551985820005, 1.068623523382]}, {"abc": [0.319023, 0.464347, 0.918137], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0195868322719996, 5.016392029271, 9.435448990448998]}, {"abc": [0.324378, 0.7243, 0.472622], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.0653410411219997, 7.500964732862, 5.026125020832]}, {"abc": [0.185173, 0.190783, 0.738899], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7533309349019999, 2.183213255817, 7.529565787608999]}, {"abc": [0.144644, 0.673637, 0.704416], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.343714779301, 7.068205610310001, 7.346823872813]}], "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_Li2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.10263483\n_cell_length_b   3.10263383\n_cell_length_c   7.56992946\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998946\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Li2O2\n_chemical_formula_sum   'Li4 O4'\n_cell_volume   63.10789545\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  Li  Li0  1  0.00000000  -0.00000000  -0.00000000  1.0\n  Li  Li1  1  0.00000000  -0.00000000  0.50000000  1.0\n  Li  Li2  1  0.33333300  0.66666700  0.25000000  1.0\n  Li  Li3  1  0.66666700  0.33333300  0.75000000  1.0\n  O  O4  1  0.33333300  0.66666700  0.64856887  1.0\n  O  O5  1  0.66666700  0.33333300  0.14856887  1.0\n  O  O6  1  0.66666700  0.33333300  0.35143113  1.0\n  O  O7  1  0.33333300  0.66666700  0.85143113  1.0\n", "composition": {"Li": 4.0, "O": 4.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O2", "identifiers": {"materials_project_id": "mp-841"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9742999999999997, "density": 2.414495377117451, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.6501702366666664, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 63.107895451231315}, "record_id": "mp-841", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.10263483, "alpha": 90.0, "b": 3.102633828952688, "beta": 90.0, "c": 7.56992946, "gamma": 119.99998945596172, "matrix": [[3.10263483, -0.0, -0.0], [-1.55131642, 2.68696, 0.0], [-0.0, -0.0, 7.56992946]], "pbc": [true, true, true], "volume": 63.107895451231315}, "properties": {}, "sites": [{"abc": [0.0, -0.0, -0.0], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.0, -0.0, 0.5], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.0, 0.0, 3.78496473]}, {"abc": [0.333333, 0.666667, 0.25], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [-8.87983750086363e-07, 1.79130756232, 1.892482365]}, {"abc": [0.666667, 0.333333, 0.75], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.5513192979837498, 0.89565243768, 5.677447095]}, {"abc": [0.333333, 0.666667, 0.64856887], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-8.87983750086363e-07, 1.79130756232, 4.90962059585191]}, {"abc": [0.666667, 0.333333, 0.14856887], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5513192979837498, 0.89565243768, 1.1246558658519101]}, {"abc": [0.666667, 0.333333, 0.35143113], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5513192979837498, 0.89565243768, 2.6603088641480896]}, {"abc": [0.333333, 0.666667, 0.85143113], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-8.87983750086363e-07, 1.79130756232, 6.44527359414809]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6c 2c", "number": 194, "point_group": "6/mmm", "symbol": "P6_3/mmc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Li2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.33619335\n_cell_length_b   3.33619335\n_cell_length_c   7.90047500\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998702\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Li2O2\n_chemical_formula_sum   'Li4 O4'\n_cell_volume   76.15287697\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  Li  Li0  1  0.66666700  0.33333300  0.39762700  1.0\n  Li  Li1  1  0.33333300  0.66666700  0.89762700  1.0\n  Li  Li2  1  0.66666700  0.33333300  0.10237300  1.0\n  Li  Li3  1  0.33333300  0.66666700  0.60237300  1.0\n  O  O4  1  0.66666700  0.33333300  0.65386300  1.0\n  O  O5  1  0.66666700  0.33333300  0.84613700  1.0\n  O  O6  1  0.33333300  0.66666700  0.15386300  1.0\n  O  O7  1  0.33333300  0.66666700  0.34613700  1.0\n", "composition": {"Li": 4.0, "O": 4.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O2", "identifiers": {"materials_project_id": "mp-558312"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6379, "density": 2.0008925189353968, "energy_above_hull": 0.14272422874999968, "formation_energy_per_atom": -1.5074460079166667, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0, "volume": 76.15287697096396}, "record_id": "mp-558312", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.3361933453253276, "alpha": 90.0, "b": 3.3361933453253276, "beta": 90.0, "c": 7.900475, "gamma": 119.9999870172605, "matrix": [[1.668097, -2.889228, 0.0], [1.668097, 2.889228, 0.0], [0.0, 0.0, 7.900475]], "pbc": [true, true, true], "volume": 76.15287697096396}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.397627], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.668097, -0.9630779261520002, 3.141442172825]}, {"abc": [0.333333, 0.666667, 0.897627], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.668097, 0.9630779261520002, 7.091679672824999]}, {"abc": [0.666667, 0.333333, 0.102373], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.668097, -0.9630779261520002, 0.808795327175]}, {"abc": [0.333333, 0.666667, 0.602373], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.668097, 0.9630779261520002, 4.759032827175001]}, {"abc": [0.666667, 0.333333, 0.653863], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.668097, -0.9630779261520002, 5.1658282849249995]}, {"abc": [0.666667, 0.333333, 0.846137], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.668097, -0.9630779261520002, 6.684884215075001]}, {"abc": [0.333333, 0.666667, 0.153863], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.668097, 0.9630779261520002, 1.215590784925]}, {"abc": [0.333333, 0.666667, 0.346137], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.668097, 0.9630779261520002, 2.734646715075]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6c 2c", "number": 194, "point_group": "6/mmm", "symbol": "P6_3/mmc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Li2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.67160600\n_cell_length_b   2.67160600\n_cell_length_c   2.13188200\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   Li2O2\n_chemical_formula_sum   'Li1 O1'\n_cell_volume   15.21626219\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  Li  Li0  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Li": 1.0, "O": 1.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O2", "identifiers": {"materials_project_id": "mp-1097030"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.5034683269547546, "energy_above_hull": 0.2682035875000004, "formation_energy_per_atom": -1.381966649166666, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.001419, "volume": 15.216262193734085}, "record_id": "mp-1097030", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.671606, "alpha": 90.0, "b": 2.671606, "beta": 90.0, "c": 2.131882, "gamma": 90.0, "matrix": [[2.671606, 0.0, 0.0], [0.0, 2.671606, 0.0], [0.0, 0.0, 2.131882]], "pbc": [true, true, true], "volume": 15.216262193734085}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "O", "properties": {"magmom": 0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.335803, 1.335803, 1.065941]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4 2", "number": 123, "point_group": "4/mmm", "symbol": "P4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Li2O2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.53812100\n_cell_length_b   2.53812100\n_cell_length_c   2.53812100\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   Li2O2\n_chemical_formula_sum   'Li1 O1'\n_cell_volume   16.35072323\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  Li  Li0  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O1  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Li": 1.0, "O": 1.0}, "description": "", "elements": ["Li", "O"], "formula": "Li2O2", "identifiers": {"materials_project_id": "mp-1180619"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.3297703671133894, "energy_above_hull": 0.28903187249999984, "formation_energy_per_atom": -1.3611383641666666, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.0005528, "volume": 16.35072322765034}, "record_id": "mp-1180619", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.538121, "alpha": 90.0, "b": 2.538121, "beta": 90.0, "c": 2.538121, "gamma": 90.0, "matrix": [[2.538121, 0.0, 0.0], [0.0, 2.538121, 0.0], [0.0, 0.0, 2.538121]], "pbc": [true, true, true], "volume": 16.35072322765034}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Li", "properties": {"magmom": -0.017}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.2690605, 1.2690605, 1.2690605]}, {"abc": [0.0, 0.0, 0.0], "label": "O", "properties": {"magmom": 0.873}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "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_LiO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.96110100\n_cell_length_b   3.98566900\n_cell_length_c   4.89609000\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   LiO2\n_chemical_formula_sum   'Li2 O4'\n_cell_volume   57.78349977\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  Li  Li0  1  0.50000000  0.50000000  0.50000000  1.0\n  Li  Li1  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O2  1  0.50000000  0.63185800  0.08562300  1.0\n  O  O3  1  0.50000000  0.36814200  0.91437700  1.0\n  O  O4  1  0.00000000  0.13185800  0.41437700  1.0\n  O  O5  1  0.00000000  0.86814200  0.58562300  1.0\n", "composition": {"Li": 2.0, "O": 4.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO2", "identifiers": {"materials_project_id": "mp-1018789"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.238045791580559, "energy_above_hull": 0.08308098404761921, "formation_energy_per_atom": -1.042903046111111, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.9997174, "volume": 57.78349976500337}, "record_id": "mp-1018789", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.961101, "alpha": 90.0, "b": 3.985669, "beta": 90.0, "c": 4.89609, "gamma": 90.0, "matrix": [[2.961101, 0.0, 0.0], [0.0, 3.985669, 0.0], [0.0, 0.0, 4.89609]], "pbc": [true, true, true], "volume": 57.78349976500337}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Li", "properties": {"magmom": 0.009}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.4805505, 1.9928345, 2.448045]}, {"abc": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.006}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.631858, 0.085623], "label": "O", "properties": {"magmom": 0.411}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4805505, 2.518376843002, 0.41921791407000003]}, {"abc": [0.5, 0.368142, 0.914377], "label": "O", "properties": {"magmom": 0.411}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4805505, 1.4672921569980002, 4.47687208593]}, {"abc": [0.0, 0.131858, 0.414377], "label": "O", "properties": {"magmom": 0.421}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.525542343002, 2.02882708593]}, {"abc": [0.0, 0.868142, 0.585623], "label": "O", "properties": {"magmom": 0.421}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.460126656998, 2.86726291407]}], "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_LiO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.79139149\n_cell_length_b   3.79139149\n_cell_length_c   3.79139173\n_cell_angle_alpha   49.42206343\n_cell_angle_beta   49.42206343\n_cell_angle_gamma   49.42206860\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO2\n_chemical_formula_sum   'Li1 O2'\n_cell_volume   28.89486209\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  Li  Li0  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O1  1  0.27655400  0.27655400  0.27655400  1.0\n  O  O2  1  0.72344600  0.72344600  0.72344600  1.0\n", "composition": {"Li": 1.0, "O": 2.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO2", "identifiers": {"materials_project_id": "mp-1094129"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.07400000000000001, "density": 2.2378047365027456, "energy_above_hull": 0.5914879690476189, "formation_energy_per_atom": -0.5344960611111116, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 3.0015838, "volume": 28.894862085681204}, "record_id": "mp-1094129", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.7913914930465835, "alpha": 49.422063434206635, "b": 3.7913914930465835, "beta": 49.422063434206635, "c": 3.791391730730155, "gamma": 49.422068600697614, "matrix": [[3.444205, -1.584961, 0.0], [3.444205, 1.584961, 0.0], [2.714835, 0.0, 2.646568]], "pbc": [true, true, true], "volume": 28.894862085681204}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Li", "properties": {"magmom": 0.015}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.801622500000001, 0.0, 1.323284]}, {"abc": [0.276554, 0.276554, 0.276554], "label": "O", "properties": {"magmom": 1.264}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.65581581773, 0.0, 0.731918966672]}, {"abc": [0.723446, 0.723446, 0.723446], "label": "O", "properties": {"magmom": 1.264}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.9474291822700005, 0.0, 1.914649033328]}], "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_LiO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.19837889\n_cell_length_b   4.19837889\n_cell_length_c   4.14137099\n_cell_angle_alpha   61.97865550\n_cell_angle_beta   61.97865550\n_cell_angle_gamma   88.79297862\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO2\n_chemical_formula_sum   'Li2 O4'\n_cell_volume   54.98744154\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  Li  Li0  1  0.25165500  0.74834500  0.50000000  1.0\n  Li  Li1  1  0.74834500  0.25165500  0.50000000  1.0\n  O  O2  1  0.20985000  0.79015000  0.00000000  1.0\n  O  O3  1  0.79015000  0.20985000  0.00000000  1.0\n  O  O4  1  0.79060600  0.79060600  0.00765100  1.0\n  O  O5  1  0.20939400  0.20939400  0.99234900  1.0\n", "composition": {"Li": 2.0, "O": 4.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO2", "identifiers": {"materials_project_id": "mp-1094135"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.351848255855821, "energy_above_hull": 0.31686676238095224, "formation_energy_per_atom": -0.8091172677777786, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0007093, "volume": 54.98744153661504}, "record_id": "mp-1094135", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.1983788944154385, "alpha": 61.9786555024867, "b": 4.1983788944154385, "beta": 61.9786555024867, "c": 4.14137098861295, "gamma": 88.79297861814273, "matrix": [[2.937268, 2.999807, 0.0], [-2.937268, 2.999807, 0.0], [0.0, 2.722989, 3.120302]], "pbc": [true, true, true], "volume": 54.98744153661504}, "properties": {}, "sites": [{"abc": [0.251655, 0.748345, 0.5], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [-1.45891164292, 4.361301500000001, 1.560151]}, {"abc": [0.748345, 0.251655, 0.5], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.45891164292, 4.361301500000001, 1.560151]}, {"abc": [0.20985, 0.79015, 0.0], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [-1.7044966204, 2.999807, 0.0]}, {"abc": [0.79015, 0.20985, 0.0], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7044966204, 2.999807, 0.0]}, {"abc": [0.790606, 0.790606, 0.007651], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 4.764164414923001, 0.023873430602]}, {"abc": [0.209394, 0.209394, 0.992349], "label": "O", "properties": {"magmom": 0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 3.9584385850770003, 3.0964285693980003]}], "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_LiO2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.27633826\n_cell_length_b   3.27633826\n_cell_length_c   3.27633826\n_cell_angle_alpha   60.00000000\n_cell_angle_beta   60.00000000\n_cell_angle_gamma   60.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO2\n_chemical_formula_sum   'Li1 O2'\n_cell_volume   24.86859226\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  Li  Li0  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O1  1  0.25000000  0.25000000  0.25000000  1.0\n  O  O2  1  0.75000000  0.75000000  0.75000000  1.0\n", "composition": {"Li": 1.0, "O": 2.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO2", "identifiers": {"materials_project_id": "mp-1097725"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.600109349430031, "energy_above_hull": 0.6860070323809522, "formation_energy_per_atom": -0.4399769977777783, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.0783597, "volume": 24.86859225751614}, "record_id": "mp-1097725", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.2763382584345586, "alpha": 59.99999999999999, "b": 3.2763382584345586, "beta": 59.99999999999999, "c": 3.2763382584345586, "gamma": 59.99999999999999, "matrix": [[0.0, 2.316721, 2.316721], [2.316721, 0.0, 2.316721], [2.316721, 2.316721, 0.0]], "pbc": [true, true, true], "volume": 24.86859225751614}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.001}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.25, 0.25, 0.25], "label": "O", "properties": {"magmom": 0.47}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.1583605, 1.1583605, 1.1583605]}, {"abc": [0.75, 0.75, 0.75], "label": "O", "properties": {"magmom": 0.47}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.4750815, 3.4750815, 3.4750815]}], "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_LiO3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.01133305\n_cell_length_b   4.01133305\n_cell_length_c   4.01133305\n_cell_angle_alpha   133.55844871\n_cell_angle_beta   103.16232656\n_cell_angle_gamma   94.77224660\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO3\n_chemical_formula_sum   'Li1 O3'\n_cell_volume   42.82763105\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  Li  Li0  1  0.48337000  0.48337000  0.00000000  1.0\n  O  O1  1  0.98518100  0.98518100  0.00000000  1.0\n  O  O2  1  0.35188000  0.12562400  0.22625600  1.0\n  O  O3  1  0.89936800  0.12562400  0.77374400  1.0\n", "composition": {"Li": 1.0, "O": 3.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO3", "identifiers": {"materials_project_id": "mp-1001790"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.17820000000000003, "density": 2.1301362175281673, "energy_above_hull": 0.23903239732142811, "formation_energy_per_atom": -0.6248585295833333, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.0004856, "volume": 42.8276310521927}, "record_id": "mp-1001790", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.011333046601466, "alpha": 133.55844870987136, "b": 4.011333046601466, "beta": 103.16232656379505, "c": 4.011333046601466, "gamma": 94.77224659744066, "matrix": [[-1.581569, 2.492664, 2.71589], [1.581569, -2.492664, 2.71589], [1.581569, 2.492664, -2.71589]], "pbc": [true, true, true], "volume": 42.8276310521927}, "properties": {}, "sites": [{"abc": [0.48337, 0.48337, 0.0], "label": "Li", "properties": {"magmom": 0.007}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.0, 0.0, 2.6255594986]}, {"abc": [0.985181, 0.985181, 0.0], "label": "O", "properties": {"magmom": 0.358}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.0, 0.0, 5.35128645218]}, {"abc": [0.35188, 0.125624, 0.226256], "label": "O", "properties": {"magmom": 0.231}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.551115123125783e-17, 1.1279603719680003, 0.6823619307200001]}, {"abc": [0.899368, 0.125624, 0.773744], "label": "O", "properties": {"magmom": 0.231}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.220446049250313e-16, 3.8573676280319997, 0.6823619307199995]}], "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_LiO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.62593833\n_cell_length_b   5.27028813\n_cell_length_c   6.05959243\n_cell_angle_alpha   61.11996665\n_cell_angle_beta   62.15496861\n_cell_angle_gamma   69.35234031\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO8\n_chemical_formula_sum   'Li1 O8'\n_cell_volume   112.83184242\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  Li  Li0  1  0.33578200  0.72215400  0.42770600  1.0\n  O  O1  1  0.80757100  0.35393200  0.81731300  1.0\n  O  O2  1  0.11517800  0.32416500  0.72889500  1.0\n  O  O3  1  0.11708900  0.67506300  0.22802600  1.0\n  O  O4  1  0.80203800  0.71989700  0.31910600  1.0\n  O  O5  1  0.78536000  0.16263400  0.24349300  1.0\n  O  O6  1  0.12724100  0.89479500  0.73549300  1.0\n  O  O7  1  0.09306500  0.12708200  0.16326400  1.0\n  O  O8  1  0.81667700  0.94884900  0.82479800  1.0\n", "composition": {"Li": 1.0, "O": 8.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO8", "identifiers": {"materials_project_id": "mp-1232999"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.15209999999999996, "density": 1.9858474974980342, "energy_above_hull": 0.01681786333333335, "formation_energy_per_atom": -0.41025122481481524, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.0000221, "volume": 112.83184242189002}, "record_id": "mp-1232999", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.625938326672871, "alpha": 61.1199666530315, "b": 5.270288132101413, "beta": 62.15496860734682, "c": 6.0595924336824005, "gamma": 69.35234031493174, "matrix": [[4.186247, -0.244124, 1.953214], [1.24588, 4.573912, 2.302835], [0.320558, 0.240761, 6.046316]], "pbc": [true, true, true], "volume": 112.83184242189}, "properties": {}, "sites": [{"abc": [0.335782, 0.722154, 0.427706], "label": "Li", "properties": {"magmom": 0.006}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.4424881956220004, 3.3240713257459995, 4.904901241034]}, {"abc": [0.807571, 0.353932, 0.817313], "label": "O", "properties": {"magmom": -0.196}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.083644696851, 1.618483454373, 7.334138649322]}, {"abc": [0.115178, 0.324165, 0.728895], "label": "O", "properties": {"magmom": -0.177}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.119687370576, 1.630073958503, 5.378595290687]}, {"abc": [0.117089, 0.675063, 0.228026], "label": "O", "properties": {"magmom": 0.04}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.404306523931, 3.113994289206, 3.161975829867]}, {"abc": [0.802038, 0.719897, 0.319106], "label": "O", "properties": {"magmom": 0.048}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.356726426894, 3.1737770820180002, 5.153771571623]}, {"abc": [0.78536, 0.162634, 0.243493], "label": "O", "properties": {"magmom": 0.164}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.568387020934, 0.610771997741, 3.380731036218]}, {"abc": [0.127241, 0.894795, 0.735493], "label": "O", "properties": {"magmom": 0.382}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8832376142210001, 4.2387290363289996, 6.756117240186999]}, {"abc": [0.093065, 0.127082, 0.163264], "label": "O", "properties": {"magmom": 0.148}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.600257580527, 0.597850088628, 1.461570473804]}, {"abc": [0.816677, 0.948849, 0.824798], "label": "O", "properties": {"magmom": 0.421}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.8653592306230005, 4.339160562618, 8.767176980961]}], "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_LiO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.05737575\n_cell_length_b   5.11233863\n_cell_length_c   5.11233854\n_cell_angle_alpha   73.49344580\n_cell_angle_beta   61.42033747\n_cell_angle_gamma   61.42033400\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO8\n_chemical_formula_sum   'Li1 O8'\n_cell_volume   101.66840432\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  Li  Li0  1  0.49553000  0.80370600  0.80370600  1.0\n  O  O1  1  0.84209800  0.33335800  0.82039300  1.0\n  O  O2  1  0.15060000  0.23329700  0.69961700  1.0\n  O  O3  1  0.15060000  0.69961700  0.23329700  1.0\n  O  O4  1  0.84209800  0.82039300  0.33335800  1.0\n  O  O5  1  0.83801700  0.25582200  0.25582200  1.0\n  O  O6  1  0.15371300  0.74122500  0.74122500  1.0\n  O  O7  1  0.14205900  0.15254900  0.15254900  1.0\n  O  O8  1  0.84361800  0.86479500  0.86479500  1.0\n", "composition": {"Li": 1.0, "O": 8.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO8", "identifiers": {"materials_project_id": "mp-1235059"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.203898383387987, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.4270690881481482, "is_stable": true, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0222966, "volume": 101.66840431506266}, "record_id": "mp-1235059", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.0573757452372465, "alpha": 73.49344580276845, "b": 5.112338626127772, "beta": 61.42033746822463, "c": 5.112338536934051, "gamma": 61.42033399985758, "matrix": [[4.680267, 0.030675, 1.91604], [1.982558, 4.453103, 1.541215], [0.569716, -0.340467, 5.069074]], "pbc": [true, true, true], "volume": 101.66840431506266}, "properties": {}, "sites": [{"abc": [0.49553, 0.803706, 0.803706], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.370490633954001, 3.320550611766, 6.2621842322340004]}, {"abc": [0.842098, 0.333358, 0.820393], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.0695360683179995, 1.2309921224929998, 6.285902627972]}, {"abc": [0.1506, 0.233297, 0.699617], "label": "O", "properties": {"magmom": -0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.565956042698, 0.8053187244519998, 4.194526804513]}, {"abc": [0.1506, 0.699617, 0.233297], "label": "O", "properties": {"magmom": -0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.224792524138, 3.0406562868519997, 2.549415595633]}, {"abc": [0.842098, 0.820393, 0.333358], "label": "O", "properties": {"magmom": -0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.757639571787999, 3.565628487443, 4.567711819907]}, {"abc": [0.838017, 0.255822, 0.255822], "label": "O", "properties": {"magmom": 0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.575071149767, 1.077808938267, 3.2967314452379997]}, {"abc": [0.153713, 0.741225, 0.741225], "label": "O", "properties": {"magmom": 0.023}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.611227177021, 3.053103765375, 5.194231720545]}, {"abc": [0.142059, 0.152549, 0.152549], "label": "O", "properties": {"magmom": 0.004}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.0542208961789998, 0.631736168989, 1.2805837030209999]}, {"abc": [0.843618, 0.864795, 0.864795], "label": "O", "properties": {"magmom": 0.023}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.155551279836, 3.5824650317699995, 7.332950708475]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_LiO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.02197573\n_cell_length_b   5.08681164\n_cell_length_c   5.08681181\n_cell_angle_alpha   73.62917575\n_cell_angle_beta   61.67015835\n_cell_angle_gamma   61.67016344\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO8\n_chemical_formula_sum   'Li1 O8'\n_cell_volume   100.41400956\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  Li  Li0  1  0.50000000  0.75186900  0.24813100  1.0\n  O  O1  1  0.84765500  0.31766700  0.78896000  1.0\n  O  O2  1  0.15234500  0.21104000  0.68233300  1.0\n  O  O3  1  0.15536800  0.67581400  0.20184500  1.0\n  O  O4  1  0.84463200  0.79815500  0.32418600  1.0\n  O  O5  1  0.84016200  0.26819800  0.23665700  1.0\n  O  O6  1  0.15983800  0.76334300  0.73180200  1.0\n  O  O7  1  0.15037700  0.16663500  0.11938800  1.0\n  O  O8  1  0.84962200  0.88061200  0.83336500  1.0\n", "composition": {"Li": 1.0, "O": 8.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO8", "identifiers": {"materials_project_id": "mp-1235185"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.2314299856952626, "energy_above_hull": 0.00536153111111215, "formation_energy_per_atom": -0.4217075570370368, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0051505, "volume": 100.41400955799593}, "record_id": "mp-1235185", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.0219757332389605, "alpha": 73.62917574779402, "b": 5.086811637681211, "beta": 61.67015835472937, "c": 5.086811808215142, "gamma": 61.67016344398838, "matrix": [[4.657094, 0.010434, 1.879257], [1.976852, 4.431168, 1.527239], [0.568836, -0.34603, 5.043049]], "pbc": [true, true, true], "volume": 100.41400955799594}, "properties": {}, "sites": [{"abc": [0.5, 0.751869, 0.248131], "label": "Li", "properties": {"magmom": 0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [3.956026581904, 3.2510140830620005, 3.33924895111]}, {"abc": [0.847655, 0.317667, 0.78896], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.024378509414, 1.143476448526, 6.056878962788]}, {"abc": [0.152345, 0.21104, 0.682333], "label": "O", "properties": {"magmom": -0.0}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.5148154058980001, 0.7006355744600001, 4.049642679542]}, {"abc": [0.155368, 0.675814, 0.201845], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.1743643405400004, 2.9264220551140006, 2.342020124527]}, {"abc": [0.844632, 0.798155, 0.324186], "label": "O", "properties": {"magmom": 0.003}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.695773594964, 3.433393703748, 4.441139925583]}, {"abc": [0.840162, 0.268198, 0.236657], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.5775201831759995, 1.115306223862, 3.1819556121490002]}, {"abc": [0.159838, 0.763343, 0.731802], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.66967204948, 3.130943378256, 5.156697224640999]}, {"abc": [0.150377, 0.166635, 0.119388], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.097644749826, 0.698644883658, 1.139168034666]}, {"abc": [0.849622, 0.880612, 0.833365], "label": "O", "properties": {"magmom": -0.001}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.171657125032, 3.622635379814, 7.144263611007]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C 2y", "number": 5, "point_group": "2", "symbol": "C2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_LiO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.12997229\n_cell_length_b   5.55428754\n_cell_length_c   5.55428816\n_cell_angle_alpha   72.91261653\n_cell_angle_beta   71.73453222\n_cell_angle_gamma   71.73452295\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO8\n_chemical_formula_sum   'Li1 O8'\n_cell_volume   112.15901852\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  Li  Li0  1  0.50000000  0.50000000  0.50000000  1.0\n  O  O1  1  0.83404763  0.32965083  0.72750177  1.0\n  O  O2  1  0.16595237  0.27249823  0.67034917  1.0\n  O  O3  1  0.16595237  0.67034917  0.27249823  1.0\n  O  O4  1  0.83404763  0.72750177  0.32965083  1.0\n  O  O5  1  0.84666106  0.24320638  0.24320638  1.0\n  O  O6  1  0.15333894  0.75679362  0.75679362  1.0\n  O  O7  1  0.16879007  0.18477839  0.18477839  1.0\n  O  O8  1  0.83120993  0.81522161  0.81522161  1.0\n", "composition": {"Li": 1.0, "O": 8.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO8", "identifiers": {"materials_project_id": "mp-1235252"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.48340000000000005, "density": 1.9977602770462106, "energy_above_hull": 0.009239624444445482, "formation_energy_per_atom": -0.41782946370370333, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.9998027, "volume": 112.1590185199282}, "record_id": "mp-1235252", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.129972288289374, "alpha": 72.91261653068509, "b": 5.554287536717894, "beta": 71.73453222256211, "c": 5.554288160331318, "gamma": 71.73452295240057, "matrix": [[3.87370256, -0.08978411, 1.42934894], [1.33085855, 5.10278494, 1.74370623], [-0.1936806, -0.06975539, 5.55047196]], "pbc": [true, true, true], "volume": 112.1590185199282}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Li", "properties": {}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [2.505440255, 2.47162272, 4.361763565]}, {"abc": [0.83404763, 0.32965083, 0.72750177], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.528668085798367, 1.5565058969333008, 5.804937477081053]}, {"abc": [0.16595237, 0.27249823, 0.67034917], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8756730903073316, 1.3288395105882893, 4.433114976959234]}, {"abc": [0.16595237, 0.67034917, 0.27249823], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4822124242016326, 3.3867395430667, 2.918589652918948]}, {"abc": [0.83404763, 0.72750177, 0.32965083], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.1352074196926685, 3.6144059294117112, 4.290412153040766]}, {"abc": [0.84666106, 0.24320638, 0.24320638], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.5562820482096344, 1.1480481875447726, 2.9841647613151285]}, {"abc": [0.15333894, 0.75679362, 0.75679362], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.4545984617903653, 3.7951972524552273, 5.739362368684871]}, {"abc": [0.16879007, 0.18477839, 0.18477839], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.8639684370060796, 0.9148404308596367, 1.5890664099583398]}, {"abc": [0.83120993, 0.81522161, 0.81522161], "label": "O", "properties": {}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.146912072993921, 4.028405009140363, 7.134460720041661]}], "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_LiO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.57348719\n_cell_length_b   5.67998271\n_cell_length_c   5.67998243\n_cell_angle_alpha   69.47805287\n_cell_angle_beta   68.25517190\n_cell_angle_gamma   68.25517351\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO8\n_chemical_formula_sum   'Li1 O8'\n_cell_volume   123.34687345\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  Li  Li0  1  0.00918200  0.60526700  0.60526700  1.0\n  O  O1  1  0.84835900  0.27662600  0.79899600  1.0\n  O  O2  1  0.16080000  0.21139700  0.74016900  1.0\n  O  O3  1  0.16080000  0.74016900  0.21139700  1.0\n  O  O4  1  0.84835900  0.79899600  0.27662600  1.0\n  O  O5  1  0.82986700  0.20123600  0.20123600  1.0\n  O  O6  1  0.17499200  0.78322800  0.78322800  1.0\n  O  O7  1  0.13112500  0.14244000  0.14244000  1.0\n  O  O8  1  0.86429400  0.84778300  0.84778300  1.0\n", "composition": {"Li": 1.0, "O": 8.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO8", "identifiers": {"materials_project_id": "mp-1235698"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.8165586662235602, "energy_above_hull": 0.06772417444444478, "formation_energy_per_atom": -0.35934491370370364, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.0002529, "volume": 123.34687344693079}, "record_id": "mp-1235698", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.573487187998891, "alpha": 69.47805287460754, "b": 5.679982705186874, "beta": 68.25517189696282, "c": 5.679982426782058, "gamma": 68.25517350661801, "matrix": [[4.263617, -0.039126, 1.654335], [1.548861, 5.106355, 1.946374], [0.053763, 0.0337, 5.679628]], "pbc": [true, true, true], "volume": 123.34687344693079}, "properties": {}, "sites": [{"abc": [0.009182, 0.605267, 0.605267], "label": "Li", "properties": {"magmom": 0.007}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [1.009163951902, 3.1107464147529997, 4.6309574565039995]}, {"abc": [0.848359, 0.276626, 0.798996], "label": "O", "properties": {"magmom": 0.009}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.088489499437, 1.4062838291959996, 6.479887693877]}, {"abc": [0.1608, 0.211397, 0.740169], "label": "O", "properties": {"magmom": 0.01}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.052807888364, 1.098120362435, 4.88135926961]}, {"abc": [0.1608, 0.740169, 0.211397], "label": "O", "properties": {"magmom": 0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.8433738480200001, 3.7803982920949997, 2.9073190855220004]}, {"abc": [0.848359, 0.798996, 0.276626], "label": "O", "properties": {"magmom": 0.008}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.869483841697, 4.056086621545999, 4.529747801897001]}, {"abc": [0.829867, 0.201236, 0.201236], "label": "O", "properties": {"magmom": 0.012}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.8607406922030005, 1.0018947317379998, 2.907504161917]}, {"abc": [0.174992, 0.783228, 0.783228], "label": "O", "properties": {"magmom": 0.385}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.0013188563360003, 4.018988260548, 6.262393684776001]}, {"abc": [0.131125, 0.14244, 0.14244], "label": "O", "properties": {"magmom": 0.012}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.7873445416849999, 0.72701903745, 1.303172401755]}, {"abc": [0.864294, 0.847783, 0.847783], "label": "O", "properties": {"magmom": 0.385}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.04369597399, 4.323834881020999, 7.8950266680559995]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_LiO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.47701927\n_cell_length_b   5.52679381\n_cell_length_c   5.52637534\n_cell_angle_alpha   70.19354205\n_cell_angle_beta   69.90760857\n_cell_angle_gamma   71.71516408\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO8\n_chemical_formula_sum   'Li1 O8'\n_cell_volume   117.77124157\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  Li  Li0  1  0.54844000  0.96714600  0.57251700  1.0\n  O  O1  1  0.84451800  0.25980900  0.80140700  1.0\n  O  O2  1  0.14603300  0.22905400  0.73797500  1.0\n  O  O3  1  0.17721400  0.73046600  0.23997100  1.0\n  O  O4  1  0.87573000  0.75184600  0.31253300  1.0\n  O  O5  1  0.83638100  0.18942300  0.22742900  1.0\n  O  O6  1  0.16220200  0.81427800  0.73414600  1.0\n  O  O7  1  0.14044100  0.13537900  0.16395900  1.0\n  O  O8  1  0.85237400  0.88688500  0.80530100  1.0\n", "composition": {"Li": 1.0, "O": 8.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO8", "identifiers": {"materials_project_id": "mp-1236127"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.08889999999999999, "density": 1.9025598178928151, "energy_above_hull": 0.01570788888888952, "formation_energy_per_atom": -0.4113611992592594, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.0000543, "volume": 117.77124156851406}, "record_id": "mp-1236127", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.4770192743978665, "alpha": 70.19354204893783, "b": 5.526793806597365, "beta": 69.90760857195106, "c": 5.526375341405884, "gamma": 71.71516407966173, "matrix": [[4.194941, -0.165605, 1.555232], [1.359439, 5.023829, 1.859709], [-0.021855, 0.020257, 5.526295]], "pbc": [true, true, true], "volume": 117.77124156851406}, "properties": {}, "sites": [{"abc": [0.54844, 0.967146, 0.572517], "label": "Li", "properties": {"magmom": 0.004}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [3.6029370740990005, 4.779549192703, 5.815459393109]}, {"abc": [0.844518, 0.259809, 0.801407], "label": "O", "properties": {"magmom": 0.018}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.878382920604, 1.18161368687, 6.225402050822]}, {"abc": [0.146033, 0.229054, 0.737975], "label": "O", "properties": {"magmom": 0.021}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.9078563161340001, 1.141493492376, 4.731356532567]}, {"abc": [0.177214, 0.730466, 0.239971], "label": "O", "properties": {"magmom": 0.415}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7311816767430002, 3.645249842391, 2.9602136154869996]}, {"abc": [0.87573, 0.751846, 0.312533], "label": "O", "properties": {"magmom": 0.365}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.688894047609, 3.6384514526650005, 4.487327647409]}, {"abc": [0.836381, 0.189423, 0.227429], "label": "O", "properties": {"magmom": -0.125}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.7611075014230004, 0.8177269144150001, 2.909877898854]}, {"abc": [0.162202, 0.814278, 0.734146], "label": "O", "properties": {"magmom": 0.148}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7713443292939999, 4.078803563774, 5.8236892350359994]}, {"abc": [0.140441, 0.135379, 0.163959], "label": "O", "properties": {"magmom": -0.141}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.769597877417, 0.6601845318490001, 1.376269683928]}, {"abc": [0.852374, 0.886885, 0.805301], "label": "O", "properties": {"magmom": 0.132}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.763724844094, 4.330714168752001, 7.425318227028001]}], "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_LiO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.64925563\n_cell_length_b   5.67366876\n_cell_length_c   5.67366871\n_cell_angle_alpha   68.87925124\n_cell_angle_beta   69.22566535\n_cell_angle_gamma   69.22565439\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO8\n_chemical_formula_sum   'Li1 O8'\n_cell_volume   126.03760029\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  Li  Li0  1  0.00000000  0.00000000  0.00000000  1.0\n  O  O1  1  0.84843000  0.33884500  0.72540400  1.0\n  O  O2  1  0.15157000  0.27459600  0.66115500  1.0\n  O  O3  1  0.15157000  0.66115500  0.27459600  1.0\n  O  O4  1  0.84843000  0.72540400  0.33884500  1.0\n  O  O5  1  0.84900900  0.25261100  0.25261100  1.0\n  O  O6  1  0.15099100  0.74738900  0.74738900  1.0\n  O  O7  1  0.14794900  0.18877400  0.18877400  1.0\n  O  O8  1  0.85205100  0.81122600  0.81122600  1.0\n", "composition": {"Li": 1.0, "O": 8.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO8", "identifiers": {"materials_project_id": "mp-1236522"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.27270000000000005, "density": 1.777777674236536, "energy_above_hull": 0.07006267444444436, "formation_energy_per_atom": -0.35700641370370395, "is_stable": false, "ordering": "FiM", "theoretical": true, "total_magnetization": 0.9998076, "volume": 126.03760029095203}, "record_id": "mp-1236522", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.6492556265370055, "alpha": 68.87925123617508, "b": 5.673668763904534, "beta": 69.22566535292336, "c": 5.673668708574549, "gamma": 69.22565439163172, "matrix": [[4.352386, -0.081209, 1.632703], [1.505027, 5.102536, 1.972191], [0.022865, 0.073772, 5.673143]], "pbc": [true, true, true], "volume": 126.03760029095201}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.009}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.84843, 0.338845, 0.725404], "label": "O", "properties": {"magmom": -0.487}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.219252090255, 1.7135831629379998, 6.168821890457]}, {"abc": [0.15157, 0.274596, 0.661155], "label": "O", "properties": {"magmom": -0.487}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.088082849187, 1.437601853986, 4.539851413711]}, {"abc": [0.15157, 0.661155, 0.274596], "label": "O", "properties": {"magmom": -0.487}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.661025909745, 3.381515837062, 3.109215109543]}, {"abc": [0.84843, 0.725404, 0.338845], "label": "O", "properties": {"magmom": -0.487}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.792195150813, 3.6574971460140002, 4.738185586289]}, {"abc": [0.849009, 0.252611, 0.252611], "label": "O", "properties": {"magmom": 0.701}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.0811772114860005, 1.2386451683069999, 3.317475008401]}, {"abc": [0.150991, 0.747389, 0.747389], "label": "O", "properties": {"magmom": 0.701}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.7991007885139998, 3.8564538316929995, 5.960561991599]}, {"abc": [0.147949, 0.188774, 0.188774], "label": "O", "properties": {"magmom": 0.693}, "species": [{"element": "O", "occu": 1.0}], "xyz": [0.932357440722, 0.9651375760509999, 1.684797056663]}, {"abc": [0.852051, 0.811226, 0.811226], "label": "O", "properties": {"magmom": 0.693}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.947920559278, 4.129961423948999, 7.593239943336999]}], "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_LiO8\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.27863554\n_cell_length_b   5.55083185\n_cell_length_c   5.55083175\n_cell_angle_alpha   63.99152400\n_cell_angle_beta   54.14230741\n_cell_angle_gamma   54.14230469\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   LiO8\n_chemical_formula_sum   'Li1 O8'\n_cell_volume   105.70359754\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  Li  Li0  1  0.47560584  0.79555748  0.79555748  1.0\n  O  O1  1  0.83360870  0.35375752  0.80218569  1.0\n  O  O2  1  0.16420270  0.23305761  0.66473762  1.0\n  O  O3  1  0.16420270  0.66473762  0.23305761  1.0\n  O  O4  1  0.83360870  0.80218569  0.35375752  1.0\n  O  O5  1  0.83117323  0.30882756  0.30882756  1.0\n  O  O6  1  0.16296432  0.71823048  0.71823048  1.0\n  O  O7  1  0.15175428  0.18572585  0.18572585  1.0\n  O  O8  1  0.84121253  0.84268219  0.84268219  1.0\n", "composition": {"Li": 1.0, "O": 8.0}, "description": "", "elements": ["Li", "O"], "formula": "LiO8", "identifiers": {"materials_project_id": "mp-1544600"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.10920000000000002, "density": 2.1197654301775857, "energy_above_hull": 0.07630395847222271, "formation_energy_per_atom": -0.27516586074074056, "is_stable": false, "ordering": "FiM", "theoretical": true, "total_magnetization": 0.9938018, "volume": 105.70359754042757}, "record_id": "mp-1544600", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.278635538367279, "alpha": 63.991523999975506, "b": 5.550831853556673, "beta": 54.14230741095452, "c": 5.550831749978273, "gamma": 54.14230468926594, "matrix": [[4.69956487, 0.363578, 2.37610905], [2.23810081, 4.63051624, 2.08829078], [0.879516, 0.02103304, 5.48066988]], "pbc": [true, true, true], "volume": 105.70359754042757}, "properties": {}, "sites": [{"abc": [0.47560584, 0.79555748, 0.79555748], "label": "Li", "properties": {"magmom": -0.0}, "species": [{"element": "Li", "occu": 1.0}], "xyz": [4.715383870600079, 3.8734946433881348, 7.151634609545589]}, {"abc": [0.8336087, 0.35375752, 0.80218569], "label": "O", "properties": {"magmom": 0.563}, "species": [{"element": "O", "occu": 1.0}], "xyz": [5.414878303228, 1.9580341290159224, 7.116008692950418]}, {"abc": [0.1642027, 0.23305761, 0.66473762], "label": "O", "properties": {"magmom": 0.567}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.877935038788733, 1.152858990172151, 4.520063031713156]}, {"abc": [0.1642027, 0.66473762, 0.23305761], "label": "O", "properties": {"magmom": 0.567}, "species": [{"element": "O", "occu": 1.0}], "xyz": [2.4644089431553815, 3.142680744042983, 3.0556407879013654]}, {"abc": [0.8336087, 0.80218569, 0.35375752], "label": "O", "properties": {"magmom": 0.563}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.024106003366097, 4.025056245037667, 5.594770341191171]}, {"abc": [0.83117323, 0.30882756, 0.30882756], "label": "O", "properties": {"magmom": -0.791}, "species": [{"element": "O", "occu": 1.0}], "xyz": [4.868958505039713, 1.738722914979097, 4.312461886284521]}, {"abc": [0.16296432, 0.71823048, 0.71823048], "label": "O", "properties": {"magmom": -0.761}, "species": [{"element": "O", "occu": 1.0}], "xyz": [3.005028811237807, 3.400134713655014, 5.823479243512013]}, {"abc": [0.15175428, 0.18572585, 0.18572585], "label": "O", "properties": {"magmom": -0.766}, "species": [{"element": "O", "occu": 1.0}], "xyz": [1.292201115171682, 0.9190874614587281, 1.766336370279295]}, {"abc": [0.84121253, 0.84268219, 0.84268219], "label": "O", "properties": {"magmom": -0.764}, "species": [{"element": "O", "occu": 1.0}], "xyz": [6.580493015223435, 4.225624103395663, 8.377041050499042]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}