raw/materials_project/materials_project-part-141.jsonl

{"cif": "# generated using pymatgen\ndata_Si5C3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.59493398\n_cell_length_b   5.59493398\n_cell_length_c   5.59493470\n_cell_angle_alpha   97.30263540\n_cell_angle_beta   97.30263540\n_cell_angle_gamma   97.30263001\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Si5C3\n_chemical_formula_sum   'Si5 C3'\n_cell_volume   170.47338432\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  Si  Si0  1  0.38535000  0.38535000  0.38535000  1.0\n  Si  Si1  1  0.56303600  0.84427100  0.35721800  1.0\n  Si  Si2  1  0.84427100  0.35721800  0.56303600  1.0\n  Si  Si3  1  0.35721800  0.56303600  0.84427100  1.0\n  Si  Si4  1  0.72163200  0.72163200  0.72163200  1.0\n  C  C5  1  0.16474100  0.35940700  0.60434500  1.0\n  C  C6  1  0.35940700  0.60434500  0.16474100  1.0\n  C  C7  1  0.60434500  0.16474100  0.35940700  1.0\n", "composition": {"C": 3.0, "Si": 5.0}, "description": "", "elements": ["C", "Si"], "formula": "Si5C3", "identifiers": {"materials_project_id": "mp-1219306"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.7307000000000001, "density": 1.718849315097525, "energy_above_hull": 0.8732097103750007, "formation_energy_per_atom": 0.6437498767236836, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0003164, "volume": 170.47338432302902}, "record_id": "mp-1219306", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.594933975093182, "alpha": 97.30263540198509, "b": 5.594933975093182, "beta": 97.30263540198509, "c": 5.594934695210749, "gamma": 97.30263001049359, "matrix": [[3.696236, -4.200134, 0.0], [3.696236, 4.200134, 0.0], [-1.076492, 0.0, 5.490397]], "pbc": [true, true, true], "volume": 170.47338432302902}, "properties": {}, "sites": [{"abc": [0.38535, 0.38535, 0.38535], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.433862893, 0.0, 2.1157244839500002]}, {"abc": [0.563036, 0.844271, 0.357218], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.817196477196, 1.1812246854900001, 1.9612686355459998]}, {"abc": [0.844271, 0.357218, 0.563036], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.8348831456919994, -2.045687865102, 3.0912911652919997]}, {"abc": [0.357218, 0.563036, 0.844271], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.492624986612, 0.8644631796119999, 4.635382965587]}, {"abc": [0.721632, 0.721632, 0.721632], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.55781327936, 0.0, 3.962046167904]}, {"abc": [0.164741, 0.359407, 0.604345], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.286802149188, 0.817623285244, 3.318093974965]}, {"abc": [0.359407, 0.604345, 0.164741], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [3.3849124689, 1.028772421692, 0.9044934921769999]}, {"abc": [0.604345, 0.164741, 0.359407], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.455824600052, -1.846395706936, 1.9732871145789999]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3", "number": 146, "point_group": "3", "symbol": "R3", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Si8C3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.17316027\n_cell_length_b   12.93595271\n_cell_length_c   11.59251473\n_cell_angle_alpha   109.50768690\n_cell_angle_beta   91.74599851\n_cell_angle_gamma   110.47500621\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Si8C3\n_chemical_formula_sum   'Si32 C12'\n_cell_volume   675.44560032\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  Si  Si0  1  0.82316000  0.94694300  0.30179800  1.0\n  Si  Si1  1  0.17684000  0.05305700  0.69820200  1.0\n  Si  Si2  1  0.42273600  0.90636300  0.41252000  1.0\n  Si  Si3  1  0.57726400  0.09363700  0.58748000  1.0\n  Si  Si4  1  0.26219500  0.77555700  0.62438400  1.0\n  Si  Si5  1  0.73780500  0.22444300  0.37561600  1.0\n  Si  Si6  1  0.76942000  0.75112500  0.61120800  1.0\n  Si  Si7  1  0.23058000  0.24887500  0.38879200  1.0\n  Si  Si8  1  0.22734100  0.53465500  0.66965900  1.0\n  Si  Si9  1  0.77265900  0.46534500  0.33034100  1.0\n  Si  Si10  1  0.24023500  0.61100600  0.42277700  1.0\n  Si  Si11  1  0.75976500  0.38899400  0.57722300  1.0\n  Si  Si12  1  0.89994100  0.75778900  0.40798700  1.0\n  Si  Si13  1  0.10005900  0.24221100  0.59201300  1.0\n  Si  Si14  1  0.05944800  0.75959100  0.16813500  1.0\n  Si  Si15  1  0.94055200  0.24040900  0.83186500  1.0\n  Si  Si16  1  0.30305500  0.08938800  0.91289900  1.0\n  Si  Si17  1  0.69694500  0.91061200  0.08710100  1.0\n  Si  Si18  1  0.18826800  0.86474900  0.02993300  1.0\n  Si  Si19  1  0.81173200  0.13525000  0.97006700  1.0\n  Si  Si20  1  0.70389700  0.63891900  0.99190800  1.0\n  Si  Si21  1  0.29610300  0.36108100  0.00809200  1.0\n  Si  Si22  1  0.70029600  0.36282900  0.93176000  1.0\n  Si  Si23  1  0.29970400  0.63717100  0.06824000  1.0\n  Si  Si24  1  0.46525900  0.42687600  0.71936000  1.0\n  Si  Si25  1  0.53474100  0.57312400  0.28064000  1.0\n  Si  Si26  1  0.05462000  0.59567700  0.86141700  1.0\n  Si  Si27  1  0.94538000  0.40432300  0.13858300  1.0\n  Si  Si28  1  0.86130700  0.82354000  0.83186900  1.0\n  Si  Si29  1  0.13869300  0.17646000  0.16813100  1.0\n  Si  Si30  1  0.52460700  0.92079800  0.81961700  1.0\n  Si  Si31  1  0.47539300  0.07920200  0.18038300  1.0\n  C  C32  1  0.05186800  0.86620000  0.32543300  1.0\n  C  C33  1  0.94813200  0.13380000  0.67456700  1.0\n  C  C34  1  0.26510200  0.77119200  0.45981700  1.0\n  C  C35  1  0.73489800  0.22880800  0.54018300  1.0\n  C  C36  1  0.38079100  0.64399600  0.59082700  1.0\n  C  C37  1  0.61920900  0.35600400  0.40917300  1.0\n  C  C38  1  0.21788600  0.93512100  0.90663900  1.0\n  C  C39  1  0.78211400  0.06487900  0.09336100  1.0\n  C  C40  1  0.91994800  0.71851000  0.89915000  1.0\n  C  C41  1  0.08005200  0.28149000  0.10085000  1.0\n  C  C42  1  0.70130800  0.48650700  0.87809400  1.0\n  C  C43  1  0.29869200  0.51349300  0.12190600  1.0\n", "composition": {"C": 12.0, "Si": 32.0}, "description": "", "elements": ["C", "Si"], "formula": "Si8C3", "identifiers": {"materials_project_id": "mp-1179504"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.563814286415017, "energy_above_hull": 0.561837004818182, "formation_energy_per_atom": 0.3949571257990424, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0020671, "volume": 675.4456003157994}, "record_id": "mp-1179504", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.173160266951817, "alpha": 109.50768690035599, "b": 12.935952713143358, "beta": 91.7459985147518, "c": 11.592514727901836, "gamma": 110.47500621092873, "matrix": [[5.120482, -0.602226, -0.423763], [-3.30379, 12.315009, -2.18275], [0.359678, -1.945269, 11.422476]], "pbc": [true, true, true], "volume": 675.4456003157994}, "properties": {}, "sites": [{"abc": [0.82316, 0.946943, 0.301798], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.195025250194, 10.578804919665, 1.031515827518]}, {"abc": [0.17684, 0.053057, 0.698202], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.981344749806, -0.8112909196649999, 7.7844471724819995]}, {"abc": [0.422736, 0.906363, 0.41252], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-0.6814465684579999, 10.104823524051, 2.554496085702]}, {"abc": [0.577264, 0.093637, 0.58748], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.857816568458, -0.337309524051, 6.2614669142979995]}, {"abc": [0.262195, 0.775557, 0.624384], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-0.9951354946879998, 8.178495949647, 5.3280556732490005]}, {"abc": [0.737805, 0.224443, 0.375616], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.171505494688, 1.5890180503529998, 3.487907326751]}, {"abc": [0.76942, 0.751125, 0.611208], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.678080067714, 7.597782431253, 5.015938889798]}, {"abc": [0.23058, 0.248875, 0.388792], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.4982899322860001, 2.1697315687470002, 3.8000241102019996]}, {"abc": [0.227341, 0.534655, 0.669659], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-0.3614307342859999, 5.144703582558001, 6.385806950251]}, {"abc": [0.772659, 0.465345, 0.330341], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.537800734286, 4.6228104174419995, 2.430156049749]}, {"abc": [0.240235, 0.611006, 0.422777], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-0.6364529336639999, 6.557453633931, 3.3936840850469996]}, {"abc": [0.759765, 0.388994, 0.577223], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.8128229336639996, 3.2100603660689995, 5.422278914953]}, {"abc": [0.899941, 0.757789, 0.407987], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.251299919438, 7.996566022932001, 2.6247960780789996]}, {"abc": [0.100059, 0.242211, 0.592013], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-0.07492991943800004, 1.7709479770680006, 6.191166921921]}, {"abc": [0.059448, 0.759591, 0.168135], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.144652275424, 8.991501066756, 0.23732888418599996]}, {"abc": [0.940552, 0.240409, 0.831865], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.321022275424, 0.776012933244, 8.578634115814]}, {"abc": [0.303055, 0.089388, 0.912899], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5848181785120001, -0.857527700769, 10.104031764959]}, {"abc": [0.696945, 0.910612, 0.087101], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.5915518214880005, 10.625041700769, -1.2880687649590001]}, {"abc": [0.188268, 0.864749, 0.029933], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.88215995196, 10.477784096196, -1.625402918126]}, {"abc": [0.811732, 0.13525, 0.970067], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.0585332557500005, -0.7102824112049999, 10.441368100876]}, {"abc": [0.703897, 0.638919, 0.991908], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.8502052009680001, 5.514860277297001, 9.637159372547]}, {"abc": [0.296103, 0.361081, 0.008092], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.32616479903200024, 4.252653722702999, -0.821196372547]}, {"abc": [0.700296, 0.362829, 0.93176], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.7222758140420003, 2.233982098125, 9.554281704162]}, {"abc": [0.299704, 0.637171, 0.06824], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-0.5459058140419998, 7.5335319018749995, -0.7383187041620004]}, {"abc": [0.465259, 0.426876, 0.71936], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.2307796408779998, 3.57744200751, 7.087949196743]}, {"abc": [0.534741, 0.573124, 0.28064], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.9455903591220005, 6.190071992489999, 1.7280138032569998]}, {"abc": [0.05462, 0.595677, 0.861417], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.378478245264, 5.627186245800001, 8.516155101682]}, {"abc": [0.94538, 0.404323, 0.138583], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.5548482452640005, 4.140327754199999, 0.29980789831800014]}, {"abc": [0.861307, 0.82354, 0.831869], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.988708751556, 8.004992064717, 7.339431714402998]}, {"abc": [0.138693, 0.17646, 0.168131], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.18766124844400006, 1.7625219352830004, 1.4765312855969999]}, {"abc": [0.524607, 0.920798, 0.819617], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-0.06108432051999929, 9.429328140027001, 7.129874641051]}, {"abc": [0.475393, 0.079202, 0.180383], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.2374543205200004, 0.33818585997299994, 1.686088358949]}, {"abc": [0.051868, 0.8662, 0.325433], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.47910264705, 10.002969811154998, 1.8045728428239998]}, {"abc": [0.948132, 0.1338, 0.674567], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [4.65547264705, -0.23545581115500003, 7.011390157176]}, {"abc": [0.265102, 0.771192, 0.459817], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.0250203395899997, 8.443117347902998, 3.4565888900659996]}, {"abc": [0.734898, 0.228808, 0.540183], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [3.20139033959, 1.3243966520970005, 5.3593741099339995]}, {"abc": [0.380791, 0.643996, 0.590827], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.03471339012800012, 6.552176847735001, 5.181659822119]}, {"abc": [0.619209, 0.356004, 0.409173], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.1416566098720002, 3.2153371522649996, 3.6343031778809998]}, {"abc": [0.217886, 0.935121, 0.906639], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.647663965296, 9.621150175962, 8.222594830395998]}, {"abc": [0.782114, 0.064879, 0.093361], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [3.8240339652959996, 0.14636382403800005, 0.5933681696040001]}, {"abc": [0.919948, 0.71851, 0.89915], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.660175495736, 6.545351890992, 8.312351668576]}, {"abc": [0.080052, 0.28149, 0.10085], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-0.48380549573600007, 3.2221621090080004, 0.5036113314239999]}, {"abc": [0.701308, 0.486507, 0.878094], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.2995491226580005, 3.860863134669, 8.67089610449]}, {"abc": [0.298692, 0.513493, 0.121906], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-0.12317912265799971, 5.906650865331, 0.14506689551000007]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "-P 1", "number": 2, "point_group": "-1", "symbol": "P-1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Si8C3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.94246200\n_cell_length_b   12.20212876\n_cell_length_c   12.29955648\n_cell_angle_alpha   60.96374165\n_cell_angle_beta   79.62305683\n_cell_angle_gamma   89.59174142\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Si8C3\n_chemical_formula_sum   'Si32 C12'\n_cell_volume   635.14335341\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  Si  Si0  1  0.81934900  0.68915400  0.96983200  1.0\n  Si  Si1  1  0.18065100  0.31084600  0.03016800  1.0\n  Si  Si2  1  0.49876100  0.60400400  0.90995900  1.0\n  Si  Si3  1  0.50123900  0.39599600  0.09004100  1.0\n  Si  Si4  1  0.53241600  0.40012200  0.82433900  1.0\n  Si  Si5  1  0.46758400  0.59987800  0.17566100  1.0\n  Si  Si6  1  0.13855800  0.43824500  0.67414800  1.0\n  Si  Si7  1  0.86144200  0.56175500  0.32585200  1.0\n  Si  Si8  1  0.71949100  0.38733600  0.54130800  1.0\n  Si  Si9  1  0.28050900  0.61266400  0.45869200  1.0\n  Si  Si10  1  0.77588400  0.61188000  0.60658900  1.0\n  Si  Si11  1  0.22411600  0.38812000  0.39341100  1.0\n  Si  Si12  1  0.18420100  0.59156300  0.75992800  1.0\n  Si  Si13  1  0.81579900  0.40843700  0.24007200  1.0\n  Si  Si14  1  0.23973800  0.83095100  0.73550200  1.0\n  Si  Si15  1  0.76026200  0.16904900  0.26449800  1.0\n  Si  Si16  1  0.21184800  0.09847100  0.08015800  1.0\n  Si  Si17  1  0.78815200  0.90152900  0.91984200  1.0\n  Si  Si18  1  0.36445800  0.00250300  0.86308300  1.0\n  Si  Si19  1  0.63554200  0.99749700  0.13691700  1.0\n  Si  Si20  1  0.00806600  0.02136700  0.66456000  1.0\n  Si  Si21  1  0.99193400  0.97863300  0.33544000  1.0\n  Si  Si22  1  0.35712400  0.05781800  0.40872100  1.0\n  Si  Si23  1  0.64287600  0.94218200  0.59127900  1.0\n  Si  Si24  1  0.84374400  0.20960200  0.42840900  1.0\n  Si  Si25  1  0.15625600  0.79039800  0.57159100  1.0\n  Si  Si26  1  0.42448900  0.22064800  0.54685500  1.0\n  Si  Si27  1  0.57551100  0.77935200  0.45314500  1.0\n  Si  Si28  1  0.15122900  0.21537500  0.79520800  1.0\n  Si  Si29  1  0.84877100  0.78462500  0.20479200  1.0\n  Si  Si30  1  0.71145600  0.19532000  0.92641300  1.0\n  Si  Si31  1  0.28854400  0.80468000  0.07358700  1.0\n  C  C32  1  0.14614100  0.66247200  0.87945400  1.0\n  C  C33  1  0.85385900  0.33752800  0.12054600  1.0\n  C  C34  1  0.57457300  0.57582100  0.77003400  1.0\n  C  C35  1  0.42542700  0.42417900  0.22996600  1.0\n  C  C36  1  0.75577700  0.43719000  0.65926800  1.0\n  C  C37  1  0.24422300  0.56281000  0.34073200  1.0\n  C  C38  1  0.37746700  0.12786700  0.91303400  1.0\n  C  C39  1  0.62253300  0.87213300  0.08696600  1.0\n  C  C40  1  0.22616100  0.11425000  0.71474100  1.0\n  C  C41  1  0.77383900  0.88575000  0.28525900  1.0\n  C  C42  1  0.15839000  0.13861100  0.48834000  1.0\n  C  C43  1  0.84161000  0.86138900  0.51166000  1.0\n", "composition": {"C": 12.0, "Si": 32.0}, "description": "", "elements": ["C", "Si"], "formula": "Si8C3", "identifiers": {"materials_project_id": "mp-1202928"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.72649799525951, "energy_above_hull": 0.6085526855000012, "formation_energy_per_atom": 0.44167280648086144, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.1292647, "volume": 635.1433534140515}, "record_id": "mp-1202928", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.942462, "alpha": 60.963741647695514, "b": 12.202128762711283, "beta": 79.6230568282642, "c": 12.299556483186457, "gamma": 89.59174142470226, "matrix": [[4.942462, 0.0, 0.0], [0.086945, 12.201819, 0.0], [2.215437, 5.954115, 10.53183]], "pbc": [true, true, true], "volume": 635.1433534140515}, "properties": {}, "sites": [{"abc": [0.819349, 0.689154, 0.969832], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [6.258121488352, 14.183423629806, 10.21410575256]}, {"abc": [0.180651, 0.310846, 0.030168], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.986722511648, 3.972510370194, 0.31772424744]}, {"abc": [0.498761, 0.604004, 0.909959], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.533579254445, 12.787948014561, 9.583533494969998]}, {"abc": [0.501239, 0.395996, 0.090041], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.711264745555, 5.367985985439, 0.9482965050299998]}, {"abc": [0.532416, 0.400122, 0.824339], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.492505576625, 9.790425426902999, 8.68179821037]}, {"abc": [0.467584, 0.599878, 0.175661], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.752338423375, 8.365508573097001, 1.85003178963]}, {"abc": [0.138558, 0.438245, 0.674148], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.2164532839969997, 9.361340886675, 7.100012130839999]}, {"abc": [0.861442, 0.561755, 0.325852], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [5.028390716003, 8.794593113325, 3.4318178691599996]}, {"abc": [0.719491, 0.387336, 0.541308], "label": "Si", "properties": {"magmom": 0.001}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.788967626958, 7.9492138466040005, 5.7009638336399995]}, {"abc": [0.280509, 0.612664, 0.458692], "label": "Si", "properties": {"magmom": 0.001}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.455876373042, 10.206720153395999, 4.83086616636]}, {"abc": [0.775884, 0.61188, 0.606589], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [5.231836807401001, 11.077749673455, 6.3884922278700005]}, {"abc": [0.224116, 0.38812, 0.393411], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.0130071925990003, 7.078184326545001, 4.14333777213]}, {"abc": [0.184201, 0.591563, 0.759928], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.645412496433, 11.742843356817, 8.00343250824]}, {"abc": [0.815799, 0.408437, 0.240072], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.599431503567001, 6.413090643183001, 2.52839749176]}, {"abc": [0.239738, 0.830951, 0.735502], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.8866013340250003, 14.518377190599, 7.74618202866]}, {"abc": [0.760262, 0.169049, 0.264498], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.358242665975, 3.6375568094010005, 2.78564797134]}, {"abc": [0.211848, 0.098471, 0.080158], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.233197249917, 1.678795268919, 0.8442104291399999]}, {"abc": [0.788152, 0.901529, 0.919842], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [6.011646750082999, 16.477138731081002, 9.68761957086]}, {"abc": [0.364458, 0.002503, 0.863083], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.713643451202, 5.169436589502, 9.08984343189]}, {"abc": [0.635542, 0.997497, 0.136917], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.531200548798, 12.986497410498, 1.44198656811]}, {"abc": [0.008066, 0.021367, 0.66456], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.514014465027, 4.217582930973, 6.9990329448]}, {"abc": [0.991934, 0.978633, 0.33544], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [5.730829534973, 13.938351069027, 3.5327970552]}, {"abc": [0.357124, 0.057818, 0.408721], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.675594411375, 3.1390566078570004, 4.30458008943]}, {"abc": [0.642876, 0.942182, 0.591279], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.569249588625, 15.016877392143, 6.227249910569999]}, {"abc": [0.843744, 0.209602, 0.428409], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [5.137509653351, 5.108322119073, 4.511930758469999]}, {"abc": [0.156256, 0.790398, 0.571591], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.107334346649, 13.047611880927, 6.019899241529999]}, {"abc": [0.424489, 0.220648, 0.546855], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.328727792913, 5.948344517037, 5.759383894649999]}, {"abc": [0.575511, 0.779352, 0.453145], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.916116207087, 12.207589482963002, 4.77244610535]}, {"abc": [0.151229, 0.215375, 0.795208], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.527902591069, 7.362726648045001, 8.37499547064]}, {"abc": [0.848771, 0.784625, 0.204792], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.7169414089310004, 10.793207351955, 2.1568345293599998]}, {"abc": [0.711456, 0.19532, 0.926413], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [5.585735979553, 7.8992288265749995, 9.75682422579]}, {"abc": [0.288544, 0.80468, 0.073587], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.659108020447, 10.256705173424999, 0.7750057742099999]}, {"abc": [0.146141, 0.662472, 0.879454], "label": "C", "properties": {"magmom": -0.001}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.72826989858, 13.319733689778, 9.26226002082]}, {"abc": [0.853859, 0.337528, 0.120546], "label": "C", "properties": {"magmom": -0.001}, "species": [{"element": "C", "occu": 1.0}], "xyz": [4.51657410142, 4.836200310222, 1.26956997918]}, {"abc": [0.574573, 0.575821, 0.770034], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [4.595831790429, 11.610934608309, 8.109867182219999]}, {"abc": [0.425427, 0.424179, 0.229966], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.649012209571, 6.544999391691, 2.42196281778]}, {"abc": [0.755777, 0.43719, 0.659268], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [5.23397730764, 9.259870736429999, 6.943298500439999]}, {"abc": [0.244223, 0.56281, 0.340732], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.01086669236, 8.896063263570001, 3.5885314995599997]}, {"abc": [0.377467, 0.127867, 0.913034], "label": "C", "properties": {"magmom": -0.001}, "species": [{"element": "C", "occu": 1.0}], "xyz": [3.899503005927, 6.996519424983, 9.61591887222]}, {"abc": [0.622533, 0.872133, 0.086966], "label": "C", "properties": {"magmom": -0.001}, "species": [{"element": "C", "occu": 1.0}], "xyz": [3.345340994073, 11.159414575017001, 0.91591112778]}, {"abc": [0.226161, 0.11425, 0.714741], "label": "C", "properties": {"magmom": -0.001}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.711189271449, 5.649707929965, 7.527530706029999]}, {"abc": [0.773839, 0.88575, 0.285259], "label": "C", "properties": {"magmom": -0.001}, "species": [{"element": "C", "occu": 1.0}], "xyz": [4.533654728551, 12.506226070035002, 3.0042992939699995]}, {"abc": [0.15839, 0.138611, 0.48834], "label": "C", "properties": {"magmom": -0.001}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.876774594155, 4.598938852509, 5.1431138622]}, {"abc": [0.84161, 0.861389, 0.51166], "label": "C", "properties": {"magmom": -0.001}, "species": [{"element": "C", "occu": 1.0}], "xyz": [5.368069405845, 13.556995147491, 5.3887161377999995]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "-P 1", "number": 2, "point_group": "-1", "symbol": "P-1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07351350\n_cell_length_b   3.07351436\n_cell_length_c   5.04524771\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000155\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si2 C2'\n_cell_volume   41.27465862\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  Si  Si0  1  0.33333300  0.66666700  0.49960240  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.99960240  1.0\n  C  C2  1  0.33333300  0.66666700  0.87539760  1.0\n  C  C3  1  0.66666700  0.33333300  0.37539760  1.0\n", "composition": {"C": 2.0, "Si": 2.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-7140"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.3028999999999993, "density": 3.2262559563541067, "energy_above_hull": 0.004145862368421405, "formation_energy_per_atom": -0.3018005825000003, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 41.27465862347238}, "record_id": "mp-7140", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0735135, "alpha": 90.0, "b": 3.073514356326536, "beta": 90.0, "c": 5.04524771, "gamma": 120.00000154633408, "matrix": [[3.0735135, 0.0, 0.0], [-1.53675725, 2.66174147, -0.0], [0.0, -0.0, 5.04524771]], "pbc": [true, true, true], "volume": 41.27465862347238}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.4996024], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.8700902502111205e-06, 1.77449520058049, 2.520617864510504]}, {"abc": [0.666667, 0.333333, 0.9996024], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5367581200902498, 0.8872462694195099, 5.043241719510504]}, {"abc": [0.333333, 0.666667, 0.8753976], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.8700902502111205e-06, 1.77449520058049, 4.4165977367394955]}, {"abc": [0.666667, 0.333333, 0.3753976], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5367581200902498, 0.8872462694195099, 1.893973881739496]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07662093\n_cell_length_b   3.07662109\n_cell_length_c   15.09808432\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998742\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si6 C6'\n_cell_volume   123.76576663\n_cell_formula_units_Z   6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.33333300  0.66666700  0.83298615  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.33298615  1.0\n  Si  Si2  1  0.66666700  0.33333300  0.66650060  1.0\n  Si  Si3  1  0.33333300  0.66666700  0.16650060  1.0\n  Si  Si4  1  0.00000000  -0.00000000  0.49972942  1.0\n  Si  Si5  1  -0.00000000  0.00000000  0.99972942  1.0\n  C  C6  1  0.00000000  -0.00000000  0.87436641  1.0\n  C  C7  1  -0.00000000  0.00000000  0.37436641  1.0\n  C  C8  1  0.33333300  0.66666700  0.70799678  1.0\n  C  C9  1  0.66666700  0.33333300  0.20799678  1.0\n  C  C10  1  0.66666700  0.33333300  0.54152164  1.0\n  C  C11  1  0.33333300  0.66666700  0.04152164  1.0\n", "composition": {"C": 6.0, "Si": 6.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-7631"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.0223999999999993, "density": 3.2277733219189355, "energy_above_hull": 7.649035088874712e-06, "formation_energy_per_atom": -0.30593879583333344, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 123.76576662882943}, "record_id": "mp-7631", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07662093, "alpha": 90.0, "b": 3.076621090425399, "beta": 90.0, "c": 15.09808432, "gamma": 119.99998741562354, "matrix": [[3.07662093, -0.0, 0.0], [-1.53830996, 2.66443236, -0.0], [0.0, 0.0, 15.09808432]], "pbc": [true, true, true], "volume": 123.76576662882943}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.83298615], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.2016436301554023e-06, 1.7762891281441202, 12.576495130092168]}, {"abc": [0.666667, 0.333333, 0.33298615], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5383121716436299, 0.8881432318558801, 5.027452970092168]}, {"abc": [0.666667, 0.333333, 0.6665006], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5383121716436299, 0.8881432318558801, 10.062882258130593]}, {"abc": [0.333333, 0.666667, 0.1665006], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.2016436301554023e-06, 1.7762891281441202, 2.513840098130592]}, {"abc": [0.0, -0.0, 0.49972942], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 7.544956920344694]}, {"abc": [-0.0, 0.0, 0.99972942], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 15.093999080344695]}, {"abc": [0.0, -0.0, 0.87436641], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 13.201257784755692]}, {"abc": [-0.0, 0.0, 0.37436641], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 5.652215624755691]}, {"abc": [0.333333, 0.666667, 0.70799678], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.2016436301554023e-06, 1.7762891281441202, 10.68939508272849]}, {"abc": [0.666667, 0.333333, 0.20799678], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5383121716436299, 0.8881432318558801, 3.1403529227284896]}, {"abc": [0.666667, 0.333333, 0.54152164], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5383121716436299, 0.8881432318558801, 8.175939381824685]}, {"abc": [0.333333, 0.666667, 0.04152164], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.2016436301554023e-06, 1.7762891281441202, 0.6268972218246848]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07873852\n_cell_length_b   3.07873726\n_cell_length_c   3.07873800\n_cell_angle_alpha   60.00000279\n_cell_angle_beta   60.00001634\n_cell_angle_gamma   60.00000969\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si1 C1'\n_cell_volume   20.63494246\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  Si  Si0  1  0.25000000  0.25000000  0.25000000  1.0\n  C  C1  1  0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"C": 1.0, "Si": 1.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-8062"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.3709999999999996, "density": 3.2266291385651007, "energy_above_hull": 0.00016855236842161503, "formation_energy_per_atom": -0.3057778925000001, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 20.634942460365664}, "record_id": "mp-8062", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07873852111218, "alpha": 60.0000027932749, "b": 3.0787372599706417, "beta": 60.000016343700956, "c": 3.078738, "gamma": 60.00000969010736, "matrix": [[2.66626621, 0.0, 1.5393685], [0.88875474, 2.51377858, 1.5393685], [0.0, 0.0, 3.078738]], "pbc": [true, true, true], "volume": 20.634942460365664}, "properties": {}, "sites": [{"abc": [0.25, 0.25, 0.25], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.8887552375, 0.628444645, 1.53936875]}, {"abc": [0.0, -0.0, -0.0], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F -4 2 3", "number": 216, "point_group": "-43m", "symbol": "F-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   17.70033064\n_cell_length_b   17.70033064\n_cell_length_c   17.70033138\n_cell_angle_alpha   9.97288938\n_cell_angle_beta   9.97288938\n_cell_angle_gamma   9.97289194\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si7 C7'\n_cell_volume   144.40303730\n_cell_formula_units_Z   7\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  Si  Si0  1  0.80953000  0.80953000  0.80953000  1.0\n  Si  Si1  1  0.71422985  0.71422985  0.71422985  1.0\n  Si  Si2  1  0.57142720  0.57142720  0.57142720  1.0\n  Si  Si3  1  0.42855255  0.42855255  0.42855255  1.0\n  Si  Si4  1  0.28573816  0.28573816  0.28573816  1.0\n  Si  Si5  1  0.19043752  0.19043752  0.19043752  1.0\n  Si  Si6  1  0.99998494  0.99998494  0.99998494  1.0\n  C  C7  1  0.84524169  0.84524169  0.84524169  1.0\n  C  C8  1  0.74993787  0.74993787  0.74993787  1.0\n  C  C9  1  0.60724316  0.60724316  0.60724316  1.0\n  C  C10  1  0.46436822  0.46436822  0.46436822  1.0\n  C  C11  1  0.32145026  0.32145026  0.32145026  1.0\n  C  C12  1  0.22614445  0.22614445  0.22614445  1.0\n  C  C13  1  0.03570913  0.03570913  0.03570913  1.0\n", "composition": {"C": 7.0, "Si": 7.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-9947"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8487999999999989, "density": 3.2275577787959278, "energy_above_hull": 1.6330939850206505e-05, "formation_energy_per_atom": -0.305930113928572, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 144.40303729604565}, "record_id": "mp-9947", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 17.700330637017014, "alpha": 9.972889375756479, "b": 17.700330637017014, "beta": 9.972889375756479, "c": 17.700331383966045, "gamma": 9.97289193661513, "matrix": [[17.63333998, -1.53851412, 0.00033469], [17.63333998, 1.53851412, 0.00033469], [17.49905453, 0.0, 2.66173283]], "pbc": [true, true, true], "volume": 144.40303729604568}, "properties": {}, "sites": [{"abc": [0.80953, 0.80953, 0.80953], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [42.71544504168969, 0.0, 2.1552944610613003]}, {"abc": [0.71422985, 0.71422985, 0.71422985], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [37.68686262993253, 0.0, 1.9015671310879687]}, {"abc": [0.5714272, 0.5714272, 0.5714272], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [30.15177591556413, 0.0, 1.521369040134112]}, {"abc": [0.42855255, 0.42855255, 0.42855255], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [22.612890068312446, 0.0, 1.1409792562211356]}, {"abc": [0.28573816, 0.28573816, 0.28573816], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [15.077183884221139, 0.0, 0.7607499086653337]}, {"abc": [0.19043752, 0.19043752, 0.19043752], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [10.048575617254064, 0.0, 0.5070212741149193]}, {"abc": [0.99998494, 0.99998494, 0.99998494], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [52.764939838038586, 0.0, 2.662362114222718]}, {"abc": [0.84524169, 0.84524169, 0.84524169], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [44.599798594418886, 0.0, 2.250373343440135]}, {"abc": [0.74993787, 0.74993787, 0.74993787], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [39.57102253241614, 0.0, 1.9966362424506927]}, {"abc": [0.60724316, 0.60724316, 0.60724316], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [32.041631351428585, 0.0, 1.6167255311913837]}, {"abc": [0.46436822, 0.46436822, 0.46436822], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [24.502730202113906, 0.0, 1.236334975181766]}, {"abc": [0.32145026, 0.32145026, 0.32145026], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [16.961559070901465, 0.0, 0.8558298826290746]}, {"abc": [0.22614445, 0.22614445, 0.22614445], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [11.93267800508708, 0.0, 0.6020874834592345]}, {"abc": [0.03570913, 0.03570913, 0.03570913], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.8842184724488935, 0.0, 0.0950720666291773]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   12.70859458\n_cell_length_b   12.70859458\n_cell_length_c   12.70859462\n_cell_angle_alpha   13.90390777\n_cell_angle_beta   13.90390777\n_cell_angle_gamma   13.90390438\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si5 C5'\n_cell_volume   103.14205479\n_cell_formula_units_Z   5\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  Si  Si0  1  0.91665089  0.91665089  0.91665089  1.0\n  Si  Si1  1  0.65000395  0.65000395  0.65000395  1.0\n  Si  Si2  1  0.45003967  0.45003967  0.45003967  1.0\n  Si  Si3  1  0.18340235  0.18340235  0.18340235  1.0\n  Si  Si4  1  0.05003657  0.05003657  0.05003657  1.0\n  C  C5  1  0.86664990  0.86664990  0.86664990  1.0\n  C  C6  1  0.59985551  0.59985551  0.59985551  1.0\n  C  C7  1  0.39989731  0.39989731  0.39989731  1.0\n  C  C8  1  0.13340954  0.13340954  0.13340954  1.0\n  C  C9  1  0.00005432  0.00005432  0.00005432  1.0\n", "composition": {"C": 5.0, "Si": 5.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-11713"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9535, "density": 3.2276507749344776, "energy_above_hull": 9.136636842121959e-05, "formation_energy_per_atom": -0.30585507849999943, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 103.14205479150964}, "record_id": "mp-11713", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 12.708594583848926, "alpha": 13.903907768542728, "b": 12.708594583848926, "beta": 13.903907768542728, "c": 12.708594615737272, "gamma": 13.903904375977886, "matrix": [[12.61516101, -1.53820964, 0.00030302], [12.61516101, 1.53820964, 0.00030302], [12.42753787, -0.0, 2.6579465]], "pbc": [true, true, true], "volume": 103.14205479150964}, "properties": {}, "sites": [{"abc": [0.91665089, 0.91665089, 0.91665089], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [34.5191107836638, 0.0, 2.4369645519027605]}, {"abc": [0.65000395, 0.65000395, 0.65000395], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [24.477757677046565, 0.0, 1.7280696522825332]}, {"abc": [0.45003967, 0.45003967, 0.45003967], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [16.947530837801835, 0.0, 1.1964541077792619]}, {"abc": [0.18340235, 0.18340235, 0.18340235], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [6.906539999796742, 0.0, 0.487584783434469]}, {"abc": [0.05003657, 0.05003657, 0.05003657], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.8842701424361774, 0.0, 0.1330248502663878]}, {"abc": [0.8666499, 0.8666499, 0.8666499], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [32.636180507882514, 0.0, 2.304034292935746]}, {"abc": [0.59985551, 0.59985551, 0.59985551], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [22.589274749824494, 0.0, 1.5947473897434954]}, {"abc": [0.39989731, 0.39989731, 0.39989731], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [15.059276870367896, 0.0, 1.0631480092396672]}, {"abc": [0.13340954, 0.13340954, 0.13340954], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [5.023917765309351, 0.0, 0.35467627142723157]}, {"abc": [5.432e-05, 5.432e-05, 5.432e-05], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0020455749492248, 0.0, 0.00014441257397280002]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07569427\n_cell_length_b   3.07569403\n_cell_length_c   10.07064648\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999194\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si4 C4'\n_cell_volume   82.50386818\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  Si  Si0  1  0.66666700  0.33333300  0.93784198  1.0\n  Si  Si1  1  0.33333300  0.66666700  0.43784198  1.0\n  Si  Si2  1  -0.00000000  0.00000000  0.68789438  1.0\n  Si  Si3  1  0.00000000  -0.00000000  0.18789438  1.0\n  C  C4  1  0.66666700  0.33333300  0.74980259  1.0\n  C  C5  1  0.33333300  0.66666700  0.24980259  1.0\n  C  C6  1  0.00000000  0.00000000  0.50046005  1.0\n  C  C7  1  -0.00000000  -0.00000000  0.00046005  1.0\n", "composition": {"C": 4.0, "Si": 4.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-11714"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.2202, "density": 3.228033210200531, "energy_above_hull": 0.0003009711184223107, "formation_energy_per_atom": -0.3056454737499994, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 82.50386818181951}, "record_id": "mp-11714", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07569427, "alpha": 90.0, "b": 3.0756940293466246, "beta": 90.0, "c": 10.07064648, "gamma": 119.99999194062038, "matrix": [[3.07569427, -0.0, 0.0], [-1.53784664, 2.66362938, 0.0], [0.0, 0.0, 10.07064648]], "pbc": [true, true, true], "volume": 82.50386818181951}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.93784198], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53784883784697, 0.8878755721235401, 9.44467503468323]}, {"abc": [0.333333, 0.666667, 0.43784198], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.207846969997206e-06, 1.77575380787646, 4.409351794683231]}, {"abc": [-0.0, 0.0, 0.68789438], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 6.927541116558783]}, {"abc": [0.0, -0.0, 0.18789438], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 1.8922178765587825]}, {"abc": [0.666667, 0.333333, 0.74980259], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53784883784697, 0.8878755721235401, 7.550996813678384]}, {"abc": [0.333333, 0.666667, 0.24980259], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.207846969997206e-06, 1.77575380787646, 2.515673573678383]}, {"abc": [0.0, 0.0, 0.50046005], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 5.039956240913125]}, {"abc": [-0.0, -0.0, 0.00046005], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 0.004633000913124]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07718443\n_cell_length_b   3.07718297\n_cell_length_c   20.12563135\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998351\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si8 C8'\n_cell_volume   165.03918267\n_cell_formula_units_Z   8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.33333300  0.66666700  0.87519892  1.0\n  Si  Si1  1  0.33333300  0.66666700  0.62498767  1.0\n  Si  Si2  1  -0.00000000  0.00000000  0.00008758  1.0\n  Si  Si3  1  0.66666700  0.33333300  0.75010472  1.0\n  Si  Si4  1  0.66666700  0.33333300  0.37519892  1.0\n  Si  Si5  1  0.33333300  0.66666700  0.25010472  1.0\n  Si  Si6  1  -0.00000000  0.00000000  0.50008658  1.0\n  Si  Si7  1  0.66666700  0.33333300  0.12498767  1.0\n  C  C8  1  0.33333300  0.66666700  0.34413164  1.0\n  C  C9  1  0.66666700  0.33333300  0.21871684  1.0\n  C  C10  1  0.66666700  0.33333300  0.84413164  1.0\n  C  C11  1  0.00000000  -0.00000000  0.59384846  1.0\n  C  C12  1  0.33333300  0.66666700  0.96892618  1.0\n  C  C13  1  -0.00000000  0.00000000  0.09384846  1.0\n  C  C14  1  0.33333300  0.66666700  0.71871684  1.0\n  C  C15  1  0.66666700  0.33333300  0.46892618  1.0\n", "composition": {"C": 8.0, "Si": 8.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-567505"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.7771000000000008, "density": 3.2274181457409905, "energy_above_hull": 6.303174342114914e-05, "formation_energy_per_atom": -0.30588341312500056, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 165.03918267446815}, "record_id": "mp-567505", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07718443, "alpha": 90.0, "b": 3.077182973649728, "beta": 90.0, "c": 20.12563135, "gamma": 119.99998351325844, "matrix": [[3.07718443, -0.0, 0.0], [-1.53859072, 2.66491907, 0.0], [0.0, -0.0, 20.12563135]], "pbc": [true, true, true], "volume": 165.03918267446815}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.87519892], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-5.419250501681461e-07, 1.7766136016396898, 17.613930821838142]}, {"abc": [0.333333, 0.666667, 0.62498767], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-5.419250501681461e-07, 1.7766136016396898, 12.578271444715455]}, {"abc": [-0.0, 0.0, 8.758e-05], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0017626027936329999]}, {"abc": [0.666667, 0.333333, 0.75010472], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385942519250502, 0.8883054683603099, 15.09633106861497]}, {"abc": [0.666667, 0.333333, 0.37519892], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385942519250502, 0.8883054683603099, 7.551115146838142]}, {"abc": [0.333333, 0.666667, 0.25010472], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-5.419250501681461e-07, 1.7766136016396898, 5.033515393614972]}, {"abc": [-0.0, 0.0, 0.50008658], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 10.064558152162281]}, {"abc": [0.666667, 0.333333, 0.12498767], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385942519250502, 0.8883054683603099, 2.5154557697154543]}, {"abc": [0.333333, 0.666667, 0.34413164], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-5.419250501681461e-07, 1.7766136016396898, 6.925866522510914]}, {"abc": [0.666667, 0.333333, 0.21871684], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385942519250502, 0.8883054683603099, 4.401814491876934]}, {"abc": [0.666667, 0.333333, 0.84413164], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385942519250502, 0.8883054683603099, 16.98868219751091]}, {"abc": [0.0, -0.0, 0.59384846], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 11.951575183725222]}, {"abc": [0.333333, 0.666667, 0.96892618], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-5.419250501681461e-07, 1.7766136016396898, 19.50025110404374]}, {"abc": [-0.0, 0.0, 0.09384846], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.8887595087252207]}, {"abc": [0.333333, 0.666667, 0.71871684], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-5.419250501681461e-07, 1.7766136016396898, 14.464630166876933]}, {"abc": [0.666667, 0.333333, 0.46892618], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385942519250502, 0.8883054683603099, 9.437435429043743]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07648508\n_cell_length_b   3.07648427\n_cell_length_c   40.26768340\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99997640\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si16 C16'\n_cell_volume   330.06303832\n_cell_formula_units_Z   16\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  Si  Si0  1  0.33333300  0.66666700  0.81251166  1.0\n  Si  Si1  1  0.33333300  0.66666700  0.56248732  1.0\n  Si  Si2  1  0.00000000  0.00000000  0.37502844  1.0\n  Si  Si3  1  0.66666700  0.33333300  0.93744337  1.0\n  Si  Si4  1  0.66666700  0.33333300  0.06248732  1.0\n  Si  Si5  1  0.00000000  -0.00000000  0.24998077  1.0\n  Si  Si6  1  0.00000000  0.00000000  0.87502844  1.0\n  Si  Si7  1  0.66666700  0.33333300  0.68746462  1.0\n  Si  Si8  1  0.66666700  0.33333300  0.49997315  1.0\n  Si  Si9  1  0.33333300  0.66666700  0.43744337  1.0\n  Si  Si10  1  0.33333300  0.66666700  0.99997315  1.0\n  Si  Si11  1  -0.00000000  0.00000000  0.74998077  1.0\n  Si  Si12  1  0.66666700  0.33333300  0.31251166  1.0\n  Si  Si13  1  -0.00000000  0.00000000  0.62491553  1.0\n  Si  Si14  1  0.33333300  0.66666700  0.18746462  1.0\n  Si  Si15  1  0.00000000  -0.00000000  0.12491553  1.0\n  C  C16  1  0.00000000  0.00000000  0.17178814  1.0\n  C  C17  1  0.33333300  0.66666700  0.48430688  1.0\n  C  C18  1  0.66666700  0.33333300  0.35952155  1.0\n  C  C19  1  0.33333300  0.66666700  0.04697750  1.0\n  C  C20  1  0.66666700  0.33333300  0.54697750  1.0\n  C  C21  1  0.00000000  -0.00000000  0.92189534  1.0\n  C  C22  1  0.33333300  0.66666700  0.60935718  1.0\n  C  C23  1  0.66666700  0.33333300  0.73447507  1.0\n  C  C24  1  0.00000000  0.00000000  0.42189534  1.0\n  C  C25  1  0.66666700  0.33333300  0.98430688  1.0\n  C  C26  1  -0.00000000  0.00000000  0.79683349  1.0\n  C  C27  1  0.66666700  0.33333300  0.10935718  1.0\n  C  C28  1  0.33333300  0.66666700  0.85952155  1.0\n  C  C29  1  0.00000000  -0.00000000  0.29683349  1.0\n  C  C30  1  0.00000000  -0.00000000  0.67178814  1.0\n  C  C31  1  0.33333300  0.66666700  0.23447507  1.0\n", "composition": {"C": 16.0, "Si": 16.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-567551"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.970600000000001, "density": 3.227568016264078, "energy_above_hull": 5.227018092135438e-05, "formation_energy_per_atom": -0.30589417468750035, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 330.06303832344054}, "record_id": "mp-567551", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07648508, "alpha": 90.0, "b": 3.0764842748831125, "beta": 90.0, "c": 40.2676834, "gamma": 119.99997639963875, "matrix": [[3.07648508, -0.0, 0.0], [-1.53824104, 2.66431417, -0.0], [0.0, 0.0, 40.2676834]], "pbc": [true, true, true], "volume": 330.06303832344054}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.81251166], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 32.71796228368844]}, {"abc": [0.333333, 0.666667, 0.56248732], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 22.65006131827449]}, {"abc": [0.0, 0.0, 0.37502844], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 15.101526487915898]}, {"abc": [0.666667, 0.333333, 0.93744337], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 37.74867282858906]}, {"abc": [0.666667, 0.333333, 0.06248732], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 2.516219618274488]}, {"abc": [0.0, -0.0, 0.24998077], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 10.066146502448218]}, {"abc": [0.0, 0.0, 0.87502844], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 35.2353681879159]}, {"abc": [0.666667, 0.333333, 0.68746462], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 27.68260766686131]}, {"abc": [0.666667, 0.333333, 0.49997315], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 20.13276051270071]}, {"abc": [0.333333, 0.666667, 0.43744337], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 17.61483112858906]}, {"abc": [0.333333, 0.666667, 0.99997315], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 40.26660221270071]}, {"abc": [-0.0, 0.0, 0.74998077], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 30.199988202448218]}, {"abc": [0.666667, 0.333333, 0.31251166], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 12.584120583688446]}, {"abc": [-0.0, 0.0, 0.62491553], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 25.163900713783203]}, {"abc": [0.333333, 0.666667, 0.18746462], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 7.548765966861309]}, {"abc": [0.0, -0.0, 0.12491553], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 5.030059013783203]}, {"abc": [0.0, 0.0, 0.17178814], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 6.9175104333948765]}, {"abc": [0.333333, 0.666667, 0.48430688], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 19.501916112281794]}, {"abc": [0.666667, 0.333333, 0.35952155], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 14.477099950877271]}, {"abc": [0.333333, 0.666667, 0.0469775], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 1.8916750969235]}, {"abc": [0.666667, 0.333333, 0.5469775], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 22.0255167969235]}, {"abc": [0.0, -0.0, 0.92189534], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 37.12258967905536]}, {"abc": [0.333333, 0.666667, 0.60935718], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 24.537402001756817]}, {"abc": [0.666667, 0.333333, 0.73447507], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 29.57560958395284]}, {"abc": [0.0, 0.0, 0.42189534], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 16.988747979055358]}, {"abc": [0.666667, 0.333333, 0.98430688], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 39.635757812281796]}, {"abc": [-0.0, 0.0, 0.79683349], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 32.08663869783707]}, {"abc": [0.666667, 0.333333, 0.10935718], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5382445782420402, 0.8881038352286099, 4.403560301756812]}, {"abc": [0.333333, 0.666667, 0.85952155], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 34.61094165087727]}, {"abc": [0.0, -0.0, 0.29683349], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 11.952796997837066]}, {"abc": [0.0, -0.0, 0.67178814], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 27.05135213339488]}, {"abc": [0.333333, 0.666667, 0.23447507], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-5.382420400490417e-07, 1.77621033477139, 9.441767883952839]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07652583\n_cell_length_b   3.07652580\n_cell_length_c   12.58369976\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998963\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si5 C5'\n_cell_volume   103.14784347\n_cell_formula_units_Z   5\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  Si  Si0  1  0.66666700  0.33333300  0.39973251  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.80007769  1.0\n  Si  Si2  1  -0.00000000  0.00000000  0.00008288  1.0\n  Si  Si3  1  0.33333300  0.66666700  0.19990901  1.0\n  Si  Si4  1  -0.00000000  0.00000000  0.59978169  1.0\n  C  C5  1  0.66666700  0.33333300  0.95044399  1.0\n  C  C6  1  0.33333300  0.66666700  0.35002157  1.0\n  C  C7  1  0.00000000  -0.00000000  0.15011150  1.0\n  C  C8  1  0.66666700  0.33333300  0.54972738  1.0\n  C  C9  1  -0.00000000  -0.00000000  0.75011177  1.0\n", "composition": {"C": 5.0, "Si": 5.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-568619"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.7509999999999994, "density": 3.227469638604322, "energy_above_hull": 0.0010180313684227116, "formation_energy_per_atom": -0.30492841349999933, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 103.14784346665817}, "record_id": "mp-568619", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07652583, "alpha": 90.0, "b": 3.0765258040475305, "beta": 90.0, "c": 12.58369976, "gamma": 119.99998963427062, "matrix": [[3.07652583, -0.0, 0.0], [-1.53826242, 2.66434978, 0.0], [-0.0, 0.0, 12.58369976]], "pbc": [true, true, true], "volume": 103.14784346665817}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.39973251], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53826461826275, 0.8881157052167399, 5.030113890151197]}, {"abc": [0.666667, 0.333333, 0.80007769], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53826461826275, 0.8881157052167399, 10.067937435634354]}, {"abc": [-0.0, 0.0, 8.288e-05], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0010429370361088]}, {"abc": [0.333333, 0.666667, 0.19990901], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.2082627500742404e-06, 1.77623407478326, 2.5155949611588375]}, {"abc": [-0.0, 0.0, 0.59978169], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 7.547472708505395]}, {"abc": [0.666667, 0.333333, 0.95044399], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53826461826275, 0.8881157052167399, 11.960101808856443]}, {"abc": [0.333333, 0.666667, 0.35002157], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.2082627500742404e-06, 1.77623407478326, 4.404566346403823]}, {"abc": [0.0, -0.0, 0.1501115], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.88895804652324]}, {"abc": [0.666667, 0.333333, 0.54972738], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53826461826275, 0.8881157052167399, 6.917604299771429]}, {"abc": [-0.0, -0.0, 0.75011177], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 9.439181300122174]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07637091\n_cell_length_b   3.07636943\n_cell_length_c   25.16872034\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999447\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si10 C10'\n_cell_volume   206.28562954\n_cell_formula_units_Z   10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.66666700  0.33333300  0.19989744  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.39993394  1.0\n  Si  Si2  1  -0.00000000  0.00000000  0.29992609  1.0\n  Si  Si3  1  0.66666700  0.33333300  0.59997804  1.0\n  Si  Si4  1  -0.00000000  0.00000000  0.99997590  1.0\n  Si  Si5  1  -0.00000000  0.00000000  0.70000626  1.0\n  Si  Si6  1  0.33333300  0.66666700  0.89989017  1.0\n  Si  Si7  1  0.66666700  0.33333300  0.80000688  1.0\n  Si  Si8  1  0.33333300  0.66666700  0.10002384  1.0\n  Si  Si9  1  0.33333300  0.66666700  0.49997826  1.0\n  C  C10  1  -0.00000000  0.00000000  0.77520187  1.0\n  C  C11  1  -0.00000000  0.00000000  0.07521580  1.0\n  C  C12  1  0.66666700  0.33333300  0.67493727  1.0\n  C  C13  1  0.66666700  0.33333300  0.27487874  1.0\n  C  C14  1  0.33333300  0.66666700  0.17502826  1.0\n  C  C15  1  0.33333300  0.66666700  0.57518757  1.0\n  C  C16  1  0.66666700  0.33333300  0.47489835  1.0\n  C  C17  1  0.33333300  0.66666700  0.97489882  1.0\n  C  C18  1  -0.00000000  0.00000000  0.37513705  1.0\n  C  C19  1  0.66666700  0.33333300  0.87500344  1.0\n", "composition": {"C": 10.0, "Si": 10.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-568656"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9536999999999995, "density": 3.2276269929034918, "energy_above_hull": 0.0001059673684213891, "formation_energy_per_atom": -0.3058404775, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 206.28562954028098}, "record_id": "mp-568656", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07637091, "alpha": 90.0, "b": 3.0763694343040116, "beta": 90.0, "c": 25.16872034, "gamma": 119.99999446976716, "matrix": [[3.07637091, -0.0, 0.0], [-1.53818446, 2.66421423, 0.0], [0.0, 0.0, 25.16872034]], "pbc": [true, true, true], "volume": 206.28562954028098}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.19989744], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53818732485179, 0.8880705219285899, 5.03116276404193]}, {"abc": [0.666667, 0.333333, 0.39993394], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53818732485179, 0.8880705219285899, 10.065825490334339]}, {"abc": [-0.0, 0.0, 0.29992609], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 7.5487558818796705]}, {"abc": [0.666667, 0.333333, 0.59997804], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53818732485179, 0.8880705219285899, 15.100679498901334]}, {"abc": [-0.0, 0.0, 0.9999759], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 25.168113773839806]}, {"abc": [-0.0, 0.0, 0.70000626], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 17.61826179418933]}, {"abc": [0.333333, 0.666667, 0.89989017], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.748517901224773e-07, 1.77614370807141, 22.64908402544506]}, {"abc": [0.666667, 0.333333, 0.80000688], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53818732485179, 0.8880705219285899, 20.135149432795938]}, {"abc": [0.333333, 0.666667, 0.10002384], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.748517901224773e-07, 1.77614370807141, 2.5174720562929056]}, {"abc": [0.333333, 0.666667, 0.49997826], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.748517901224773e-07, 1.77614370807141, 12.58381300201981]}, {"abc": [-0.0, 0.0, 0.77520187], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 19.510839073075037]}, {"abc": [-0.0, 0.0, 0.0752158], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.893085435349372]}, {"abc": [0.666667, 0.333333, 0.67493727], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53818732485179, 0.8880705219285899, 16.987307395673074]}, {"abc": [0.666667, 0.333333, 0.27487874], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53818732485179, 0.8880705219285899, 6.918346134471572]}, {"abc": [0.333333, 0.666667, 0.17502826], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.748517901224773e-07, 1.77614370807141, 4.405237327536808]}, {"abc": [0.333333, 0.666667, 0.57518757], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.748517901224773e-07, 1.77614370807141, 14.476735092374174]}, {"abc": [0.666667, 0.333333, 0.47489835], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53818732485179, 0.8880705219285899, 11.95258376107744]}, {"abc": [0.333333, 0.666667, 0.97489882], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.748517901224773e-07, 1.77614370807141, 24.536955760376]}, {"abc": [-0.0, 0.0, 0.37513705], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 9.441719500622598]}, {"abc": [0.666667, 0.333333, 0.87500344], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53818732485179, 0.8880705219285899, 22.02271687789797]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07704414\n_cell_length_b   3.07704531\n_cell_length_c   35.22248581\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998747\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si14 C14'\n_cell_volume   288.81404317\n_cell_formula_units_Z   14\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  Si  Si0  1  0.66666700  0.33333300  0.14284440  1.0\n  Si  Si1  1  0.00000000  -0.00000000  0.64279153  1.0\n  Si  Si2  1  -0.00000000  -0.00000000  0.21421629  1.0\n  Si  Si3  1  0.33333300  0.66666700  0.07145783  1.0\n  Si  Si4  1  0.66666700  0.33333300  0.85712294  1.0\n  Si  Si5  1  0.66666700  0.33333300  0.57144311  1.0\n  Si  Si6  1  -0.00000000  0.00000000  0.78574169  1.0\n  Si  Si7  1  -0.00000000  -0.00000000  0.35716426  1.0\n  Si  Si8  1  -0.00000000  0.00000000  0.99998112  1.0\n  Si  Si9  1  0.66666700  0.33333300  0.42850389  1.0\n  Si  Si10  1  0.33333300  0.66666700  0.92849262  1.0\n  Si  Si11  1  0.33333300  0.66666700  0.28569373  1.0\n  Si  Si12  1  0.33333300  0.66666700  0.49997794  1.0\n  Si  Si13  1  0.33333300  0.66666700  0.71427737  1.0\n  C  C14  1  0.66666700  0.33333300  0.19643134  1.0\n  C  C15  1  0.33333300  0.66666700  0.33941923  1.0\n  C  C16  1  0.66666700  0.33333300  0.91071329  1.0\n  C  C17  1  -0.00000000  -0.00000000  0.83931378  1.0\n  C  C18  1  -0.00000000  0.00000000  0.41072148  1.0\n  C  C19  1  0.33333300  0.66666700  0.55369680  1.0\n  C  C20  1  0.00000000  -0.00000000  0.26777475  1.0\n  C  C21  1  0.33333300  0.66666700  0.76800264  1.0\n  C  C22  1  0.33333300  0.66666700  0.98205704  1.0\n  C  C23  1  -0.00000000  0.00000000  0.69635330  1.0\n  C  C24  1  -0.00000000  0.00000000  0.05370980  1.0\n  C  C25  1  0.66666700  0.33333300  0.48205394  1.0\n  C  C26  1  0.66666700  0.33333300  0.62500492  1.0\n  C  C27  1  0.33333300  0.66666700  0.12503398  1.0\n", "composition": {"C": 14.0, "Si": 14.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-568696"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8139000000000003, "density": 3.227468728214555, "energy_above_hull": 2.0732011277502238e-05, "formation_energy_per_atom": -0.3059257128571439, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 288.81404317397767}, "record_id": "mp-568696", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07704414, "alpha": 90.0, "b": 3.0770453058382405, "beta": 90.0, "c": 35.22248581, "gamma": 119.99998746667265, "matrix": [[3.07704414, 0.0, 0.0], [-1.53852207, 2.66479974, 0.0], [0.0, -0.0, 35.22248581]], "pbc": [true, true, true], "volume": 288.81404317397767}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.1428444], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385236085220697, 0.88826569173342, 5.031334852037965]}, {"abc": [0.0, -0.0, 0.64279153], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 22.64071554421319]}, {"abc": [-0.0, -0.0, 0.21421629], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 7.545230234795845]}, {"abc": [0.333333, 0.666667, 0.07145783], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 2.5169224031883926]}, {"abc": [0.666667, 0.333333, 0.85712294], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385236085220697, 0.88826569173342, 30.190000591575483]}, {"abc": [0.666667, 0.333333, 0.57144311], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385236085220697, 0.88826569173342, 20.12764683319727]}, {"abc": [-0.0, 0.0, 0.78574169], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 27.67577552635042]}, {"abc": [-0.0, -0.0, 0.35716426], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 12.580213079689152]}, {"abc": [-0.0, 0.0, 0.99998112], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 35.22182080946791]}, {"abc": [0.666667, 0.333333, 0.42850389], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385236085220697, 0.88826569173342, 15.092972185054801]}, {"abc": [0.333333, 0.666667, 0.92849262], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 32.703818132639725]}, {"abc": [0.333333, 0.666667, 0.28569373], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 10.06284335093097]}, {"abc": [0.333333, 0.666667, 0.49997794], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 17.61046589696303]}, {"abc": [0.333333, 0.666667, 0.71427737], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 25.158624529229122]}, {"abc": [0.666667, 0.333333, 0.19643134], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385236085220697, 0.88826569173342, 6.918800085789286]}, {"abc": [0.333333, 0.666667, 0.33941923], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 11.955189012316128]}, {"abc": [0.666667, 0.333333, 0.91071329], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385236085220697, 0.88826569173342, 32.077585934003416]}, {"abc": [-0.0, -0.0, 0.83931378], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 29.562717706187463]}, {"abc": [-0.0, 0.0, 0.41072148], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 14.466631501162201]}, {"abc": [0.333333, 0.666667, 0.5536968], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 19.502577681042407]}, {"abc": [0.0, -0.0, 0.26777475], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 9.431692332151298]}, {"abc": [0.333333, 0.666667, 0.76800264], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 27.05096208944254]}, {"abc": [0.333333, 0.666667, 0.98205704], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 34.5904901560106]}, {"abc": [-0.0, 0.0, 0.6963533], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 24.527294227996673]}, {"abc": [-0.0, 0.0, 0.0537098], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.8917926683579382]}, {"abc": [0.666667, 0.333333, 0.48205394], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385236085220697, 0.88826569173342, 16.979138061304592]}, {"abc": [0.666667, 0.333333, 0.62500492], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385236085220697, 0.88826569173342, 22.014226925880184]}, {"abc": [0.333333, 0.666667, 0.12503398], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.538522069965964e-06, 1.77653404826658, 4.404007586317824]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07613653\n_cell_length_b   3.07613594\n_cell_length_c   45.30955144\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00001702\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si18 C18'\n_cell_volume   371.30555824\n_cell_formula_units_Z   18\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  Si  Si0  1  0.00000000  0.00000000  0.22221587  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.33332604  1.0\n  Si  Si2  1  0.33333300  0.66666700  0.72223027  1.0\n  Si  Si3  1  0.66666700  0.33333300  0.55553042  1.0\n  Si  Si4  1  0.00000000  0.00000000  0.44442461  1.0\n  Si  Si5  1  0.33333300  0.66666700  0.27776095  1.0\n  Si  Si6  1  -0.00000000  0.00000000  0.66666575  1.0\n  Si  Si7  1  0.33333300  0.66666700  0.05551307  1.0\n  Si  Si8  1  0.33333300  0.66666700  0.61108353  1.0\n  Si  Si9  1  0.66666700  0.33333300  0.88888740  1.0\n  Si  Si10  1  -0.00000000  0.00000000  0.83331470  1.0\n  Si  Si11  1  0.33333300  0.66666700  0.94437450  1.0\n  Si  Si12  1  0.66666700  0.33333300  0.11108866  1.0\n  Si  Si13  1  -0.00000000  0.00000000  0.99996245  1.0\n  Si  Si14  1  0.33333300  0.66666700  0.16664110  1.0\n  Si  Si15  1  0.66666700  0.33333300  0.77772667  1.0\n  Si  Si16  1  0.33333300  0.66666700  0.38886122  1.0\n  Si  Si17  1  0.33333300  0.66666700  0.49996560  1.0\n  C  C18  1  0.33333300  0.66666700  0.54160782  1.0\n  C  C19  1  0.66666700  0.33333300  0.93056151  1.0\n  C  C20  1  -0.00000000  0.00000000  0.04174943  1.0\n  C  C21  1  0.66666700  0.33333300  0.59731333  1.0\n  C  C22  1  0.00000000  0.00000000  0.26399546  1.0\n  C  C23  1  0.33333300  0.66666700  0.20828883  1.0\n  C  C24  1  0.33333300  0.66666700  0.43050089  1.0\n  C  C25  1  0.00000000  0.00000000  0.70845630  1.0\n  C  C26  1  0.66666700  0.33333300  0.15287507  1.0\n  C  C27  1  0.33333300  0.66666700  0.98604529  1.0\n  C  C28  1  0.33333300  0.66666700  0.76391004  1.0\n  C  C29  1  0.33333300  0.66666700  0.09716250  1.0\n  C  C30  1  0.33333300  0.66666700  0.31940351  1.0\n  C  C31  1  -0.00000000  0.00000000  0.48620139  1.0\n  C  C32  1  0.66666700  0.33333300  0.81939961  1.0\n  C  C33  1  0.33333300  0.66666700  0.65274251  1.0\n  C  C34  1  0.00000000  -0.00000000  0.87511471  1.0\n  C  C35  1  0.66666700  0.33333300  0.37510002  1.0\n", "composition": {"C": 18.0, "Si": 18.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-568735"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9984000000000002, "density": 3.2277015317070865, "energy_above_hull": 0.00015112403508688033, "formation_energy_per_atom": -0.30579532083333383, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 371.30555824357486}, "record_id": "mp-568735", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07613653, "alpha": 90.0, "b": 3.0761359370317374, "beta": 90.0, "c": 45.30955144, "gamma": 120.00001702271102, "matrix": [[3.07613653, 0.0, 0.0], [-1.53806876, 2.66401141, -0.0], [0.0, 0.0, 45.30955144]], "pbc": [true, true, true], "volume": 371.30555824357486}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.22221587], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 10.068501392549353]}, {"abc": [0.666667, 0.333333, 0.33332604], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 15.102853355671497]}, {"abc": [0.333333, 0.666667, 0.72223027], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 32.723929570090085]}, {"abc": [0.666667, 0.333333, 0.55553042], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 25.170834141474803]}, {"abc": [0.0, 0.0, 0.44442461], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 20.13667972799694]}, {"abc": [0.333333, 0.666667, 0.27776095], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 12.585224052048268]}, {"abc": [-0.0, 0.0, 0.66666575], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 30.206326092911176]}, {"abc": [0.333333, 0.666667, 0.05551307], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 2.515272300757321]}, {"abc": [0.333333, 0.666667, 0.61108353], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 27.687920636671784]}, {"abc": [0.666667, 0.333333, 0.8888874], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 40.27508937466786]}, {"abc": [-0.0, 0.0, 0.8333147], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 37.757115265358166]}, {"abc": [0.333333, 0.666667, 0.9443745], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 42.78918498637428]}, {"abc": [0.666667, 0.333333, 0.11108866], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 5.03337735467067]}, {"abc": [-0.0, 0.0, 0.99996245], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 45.30785006634343]}, {"abc": [0.333333, 0.666667, 0.1666411], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 7.5504334924681835]}, {"abc": [0.666667, 0.333333, 0.77772667], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 35.2384465606249]}, {"abc": [0.333333, 0.666667, 0.38886122], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 17.619127450611156]}, {"abc": [0.333333, 0.666667, 0.4999656], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 22.653217071430465]}, {"abc": [0.333333, 0.666667, 0.54160782], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 24.540007380596258]}, {"abc": [0.666667, 0.333333, 0.93056151], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 42.163324605429075]}, {"abc": [-0.0, 0.0, 0.04174943], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.891647946175679]}, {"abc": [0.666667, 0.333333, 0.59731333], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 27.063999051432695]}, {"abc": [0.0, 0.0, 0.26399546], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 11.961515874796463]}, {"abc": [0.333333, 0.666667, 0.20828883], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 9.437473457262415]}, {"abc": [0.333333, 0.666667, 0.43050089], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 19.505802220420783]}, {"abc": [0.0, 0.0, 0.7084563], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 32.099837167842075]}, {"abc": [0.666667, 0.333333, 0.15287507], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 6.9267008480586005]}, {"abc": [0.333333, 0.666667, 0.98604529], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 44.67726978942471]}, {"abc": [0.333333, 0.666667, 0.76391004], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 34.612421252912455]}, {"abc": [0.333333, 0.666667, 0.0971625], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 4.4023892917889995]}, {"abc": [0.333333, 0.666667, 0.31940351], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 14.472029766461555]}, {"abc": [-0.0, 0.0, 0.48620139], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 22.029566890404503]}, {"abc": [0.666667, 0.333333, 0.81939961], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 37.12662877921093]}, {"abc": [0.333333, 0.666667, 0.65274251], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.868068430166403e-06, 1.7760084946704702, 29.575470333919718]}, {"abc": [0.0, -0.0, 0.87511471], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 39.65105496864568]}, {"abc": [0.666667, 0.333333, 0.37510002], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5380696380684298, 0.88800291532953, 16.995613651335027]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   20.28236370\n_cell_length_b   20.28236370\n_cell_length_c   20.28236391\n_cell_angle_alpha   8.76380734\n_cell_angle_beta   8.76380734\n_cell_angle_gamma   8.76380711\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si8 C8'\n_cell_volume   168.06723154\n_cell_formula_units_Z   8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.87503200  0.87503200  0.87503200  1.0\n  Si  Si1  1  0.37519100  0.37519100  0.37519100  1.0\n  Si  Si2  1  0.58337400  0.58337400  0.58337400  1.0\n  Si  Si3  1  0.00011300  0.00011300  0.00011300  1.0\n  Si  Si4  1  0.50007200  0.50007200  0.50007200  1.0\n  Si  Si5  1  0.29169900  0.29169900  0.29169900  1.0\n  Si  Si6  1  0.75017700  0.75017700  0.75017700  1.0\n  Si  Si7  1  0.12514000  0.12514000  0.12514000  1.0\n  C  C8  1  0.96869600  0.96869600  0.96869600  1.0\n  C  C9  1  0.46878900  0.46878900  0.46878900  1.0\n  C  C10  1  0.09382600  0.09382600  0.09382600  1.0\n  C  C11  1  0.71884900  0.71884900  0.71884900  1.0\n  C  C12  1  0.84367400  0.84367400  0.84367400  1.0\n  C  C13  1  0.34387300  0.34387300  0.34387300  1.0\n  C  C14  1  0.26039400  0.26039400  0.26039400  1.0\n  C  C15  1  0.55210000  0.55210000  0.55210000  1.0\n", "composition": {"C": 8.0, "Si": 8.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-570641"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6997999999999998, "density": 3.1692701071681038, "energy_above_hull": 0.009269019250000454, "formation_energy_per_atom": -0.29667742561842125, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0015224, "volume": 168.06723154240382}, "record_id": "mp-570641", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 20.28236369524679, "alpha": 8.76380734360202, "b": 20.28236369524679, "beta": 8.76380734360202, "c": 20.282363907245255, "gamma": 8.763807109755863, "matrix": [[20.223077, -1.549656, 0.0], [20.223077, 1.549656, 0.0], [20.10433, 0.0, 2.681455]], "pbc": [true, true, true], "volume": 168.06723154240382}, "properties": {}, "sites": [{"abc": [0.875032, 0.875032, 0.875032], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [52.983611115488, 0.0, 2.34635893156]}, {"abc": [0.375191, 0.375191, 0.375191], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [22.717996642444, 0.0, 1.0060577829050001]}, {"abc": [0.583374, 0.583374, 0.583374], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [35.32357805301599, 0.0, 1.56429112917]}, {"abc": [0.000113, 0.000113, 0.000113], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.006842204692, 0.0, 0.000303004415]}, {"abc": [0.500072, 0.500072, 0.500072], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [30.279601634848, 0.0, 1.34092056476]}, {"abc": [0.291699, 0.291699, 0.291699], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [17.662515632316, 0.0, 0.782177742045]}, {"abc": [0.750177, 0.750177, 0.750177], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [45.423580435668, 0.0, 2.011565867535]}, {"abc": [0.12514, 0.12514, 0.12514], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [7.57728756776, 0.0, 0.3355572787]}, {"abc": [0.968696, 0.968696, 0.968696], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [58.655011648864004, 0.0, 2.59751473268]}, {"abc": [0.468789, 0.468789, 0.468789], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [28.385400843876, 0.0, 1.2570366079950002]}, {"abc": [0.093826, 0.093826, 0.093826], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [5.681209711784001, 0.0, 0.25159019683000006]}, {"abc": [0.718849, 0.718849, 0.718849], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [43.526654872916, 0.0, 1.927561245295]}, {"abc": [0.843674, 0.843674, 0.843674], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [51.084869038216006, 0.0, 2.26227386567]}, {"abc": [0.343873, 0.343873, 0.343873], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [20.821676584532, 0.0, 0.922079975215]}, {"abc": [0.260394, 0.260394, 0.260394], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [15.766982730696002, 0.0, 0.69823479327]}, {"abc": [0.5521, 0.5521, 0.5521], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [33.4299222164, 0.0, 1.4804313055000002]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   22.81363697\n_cell_length_b   22.81363697\n_cell_length_c   22.81363674\n_cell_angle_alpha   7.78713598\n_cell_angle_beta   7.78713598\n_cell_angle_gamma   7.78713589\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si9 C9'\n_cell_volume   189.06743578\n_cell_formula_units_Z   9\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  Si  Si0  1  0.88893600  0.88893600  0.88893600  1.0\n  Si  Si1  1  0.51851700  0.51851700  0.51851700  1.0\n  Si  Si2  1  0.14810400  0.14810400  0.14810400  1.0\n  Si  Si3  1  0.29620100  0.29620100  0.29620100  1.0\n  Si  Si4  1  0.59260200  0.59260200  0.59260200  1.0\n  Si  Si5  1  0.99990600  0.99990600  0.99990600  1.0\n  Si  Si6  1  0.44437700  0.44437700  0.44437700  1.0\n  Si  Si7  1  0.37029300  0.37029300  0.37029300  1.0\n  Si  Si8  1  0.74068900  0.74068900  0.74068900  1.0\n  C  C9  1  0.39813300  0.39813300  0.39813300  1.0\n  C  C10  1  0.76859900  0.76859900  0.76859900  1.0\n  C  C11  1  0.32401000  0.32401000  0.32401000  1.0\n  C  C12  1  0.02782900  0.02782900  0.02782900  1.0\n  C  C13  1  0.47219500  0.47219500  0.47219500  1.0\n  C  C14  1  0.91682300  0.91682300  0.91682300  1.0\n  C  C15  1  0.17603600  0.17603600  0.17603600  1.0\n  C  C16  1  0.54635600  0.54635600  0.54635600  1.0\n  C  C17  1  0.62039200  0.62039200  0.62039200  1.0\n", "composition": {"C": 9.0, "Si": 9.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-570690"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6644000000000005, "density": 3.169407555952718, "energy_above_hull": 0.008367561055555583, "formation_energy_per_atom": -0.2975788838128655, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0019837, "volume": 189.06743577726556}, "record_id": "mp-570690", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 22.81363697342013, "alpha": 7.78713598253484, "b": 22.81363697342013, "beta": 7.78713598253484, "c": 22.813636739552617, "gamma": 7.78713589158054, "matrix": [[22.760981, -1.549121, 0.0], [22.760981, 1.549121, 0.0], [22.655547, 0.0, 2.681084]], "pbc": [true, true, true], "volume": 189.06743577726556}, "properties": {}, "sites": [{"abc": [0.888936, 0.888936, 0.888936], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [60.605442140423996, 0.0, 2.3833120866239996]}, {"abc": [0.518517, 0.518517, 0.518517], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [35.351197434153, 0.0, 1.3901876324279998]}, {"abc": [0.148104, 0.148104, 0.148104], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [10.097361792936, 0.0, 0.397079264736]}, {"abc": [0.296201, 0.296201, 0.296201], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [20.194246343309, 0.0, 0.7941397618839999]}, {"abc": [0.592602, 0.592602, 0.592602], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [40.402128188418, 0.0, 1.5888157405679997]}, {"abc": [0.999906, 0.999906, 0.999906], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [68.17110031415399, 0.0, 2.6808319781039995]}, {"abc": [0.444377, 0.444377, 0.444377], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [30.296516916893, 0.0, 1.191412064668]}, {"abc": [0.370293, 0.370293, 0.370293], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [25.245654340137, 0.0, 0.9927866376119999]}, {"abc": [0.740689, 0.740689, 0.740689], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [50.498330963701, 0.0, 1.9858494268759999]}, {"abc": [0.398133, 0.398133, 0.398133], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [27.143716190697003, 0.0, 1.067428016172]}, {"abc": [0.768599, 0.768599, 0.768599], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [52.401165239891, 0.0, 2.0606784813159997]}, {"abc": [0.32401, 0.32401, 0.32401], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [22.09019469109, 0.0, 0.86869802684]}, {"abc": [0.027829, 0.027829, 0.027829], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.897311897961, 0.0, 0.07461188663599999]}, {"abc": [0.472195, 0.472195, 0.472195], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [32.193078862255, 0.0, 1.2659944593799999]}, {"abc": [0.916823, 0.916823, 0.916823], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [62.50670833390701, 0.0, 2.458079476132]}, {"abc": [0.176036, 0.176036, 0.176036], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [12.001695974323999, 0.0, 0.471967303024]}, {"abc": [0.546356, 0.546356, 0.546356], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [37.249191107204, 0.0, 1.4648263299039999]}, {"abc": [0.620392, 0.620392, 0.620392], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [42.296781163528, 0.0, 1.663323064928]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07622888\n_cell_length_b   3.07623076\n_cell_length_c   47.82365120\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000130\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si19 C19'\n_cell_volume   391.93216952\n_cell_formula_units_Z   19\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  Si  Si0  1  0.66666700  0.33333300  0.73686325  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.94736043  1.0\n  Si  Si2  1  0.66666700  0.33333300  0.15790783  1.0\n  Si  Si3  1  0.33333300  0.66666700  0.68421510  1.0\n  Si  Si4  1  -0.00000000  0.00000000  0.78941444  1.0\n  Si  Si5  1  0.33333300  0.66666700  0.36837563  1.0\n  Si  Si6  1  0.00000000  -0.00000000  0.42104092  1.0\n  Si  Si7  1  0.66666700  0.33333300  0.63154685  1.0\n  Si  Si8  1  -0.00000000  -0.00000000  0.21055779  1.0\n  Si  Si9  1  0.66666700  0.33333300  0.52626329  1.0\n  Si  Si10  1  0.33333300  0.66666700  0.47370105  1.0\n  Si  Si11  1  0.00000000  -0.00000000  0.89469717  1.0\n  Si  Si12  1  0.00000000  0.00000000  0.99998726  1.0\n  Si  Si13  1  0.33333300  0.66666700  0.84206485  1.0\n  Si  Si14  1  0.33333300  0.66666700  0.26310917  1.0\n  Si  Si15  1  0.66666700  0.33333300  0.31574754  1.0\n  Si  Si16  1  0.00000000  -0.00000000  0.10525397  1.0\n  Si  Si17  1  0.00000000  0.00000000  0.57891214  1.0\n  Si  Si18  1  0.33333300  0.66666700  0.05262514  1.0\n  C  C19  1  0.00000000  0.00000000  0.61849956  1.0\n  C  C20  1  0.00000000  -0.00000000  0.82887783  1.0\n  C  C21  1  0.33333300  0.66666700  0.72380912  1.0\n  C  C22  1  0.66666700  0.33333300  0.77633195  1.0\n  C  C23  1  0.33333300  0.66666700  0.40783926  1.0\n  C  C24  1  0.66666700  0.33333300  0.35532740  1.0\n  C  C25  1  0.66666700  0.33333300  0.67101600  1.0\n  C  C26  1  0.00000000  0.00000000  0.14470959  1.0\n  C  C27  1  0.66666700  0.33333300  0.98694266  1.0\n  C  C28  1  0.00000000  -0.00000000  0.46064101  1.0\n  C  C29  1  -0.00000000  -0.00000000  0.93416144  1.0\n  C  C30  1  0.66666700  0.33333300  0.19750128  1.0\n  C  C31  1  0.33333300  0.66666700  0.51317750  1.0\n  C  C32  1  0.66666700  0.33333300  0.56573093  1.0\n  C  C33  1  0.33333300  0.66666700  0.30256749  1.0\n  C  C34  1  -0.00000000  -0.00000000  0.25002680  1.0\n  C  C35  1  -0.00000000  -0.00000000  0.03943376  1.0\n  C  C36  1  0.33333300  0.66666700  0.88164826  1.0\n  C  C37  1  0.33333300  0.66666700  0.09220634  1.0\n", "composition": {"C": 19.0, "Si": 19.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-570791"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9655000000000005, "density": 3.2277136812783196, "energy_above_hull": 0.00012081763157922865, "formation_energy_per_atom": -0.3058256272368432, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 391.93216951893857}, "record_id": "mp-570791", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07622888, "alpha": 90.0, "b": 3.0762307587684306, "beta": 90.0, "c": 47.8236512, "gamma": 120.00000130364344, "matrix": [[3.07622888, 0.0, -0.0], [-1.53811544, 2.66409395, 0.0], [0.0, 0.0, 47.8236512]], "pbc": [true, true, true], "volume": 391.93216951893857}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.73686325], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 35.2394910500984]}, {"abc": [0.666667, 0.333333, 0.94736043], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 45.30623476500202]}, {"abc": [0.666667, 0.333333, 0.15790783], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 7.551728983668896]}, {"abc": [0.333333, 0.666667, 0.6842151], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 32.721664288173116]}, {"abc": [-0.0, 0.0, 0.78941444], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 37.75268083080333]}, {"abc": [0.333333, 0.666667, 0.36837563], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 17.617067639700256]}, {"abc": [0.0, -0.0, 0.42104092], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 20.135714099007103]}, {"abc": [0.666667, 0.333333, 0.63154685], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 30.20287627085872]}, {"abc": [-0.0, -0.0, 0.21055779], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 10.069642306402848]}, {"abc": [0.666667, 0.333333, 0.52626329], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 25.16783202032445]}, {"abc": [0.333333, 0.666667, 0.47370105], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 22.65411378827376]}, {"abc": [0.0, -0.0, 0.89469717], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 42.78768538770711]}, {"abc": [0.0, 0.0, 0.99998726], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 47.823041926683715]}, {"abc": [0.333333, 0.666667, 0.84206485], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 40.27061567418032]}, {"abc": [0.333333, 0.666667, 0.26310917], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 12.582841173601505]}, {"abc": [0.666667, 0.333333, 0.31574754], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 15.100200220218047]}, {"abc": [0.0, -0.0, 0.10525397], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 5.0336291486952645]}, {"abc": [0.0, 0.0, 0.57891214], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 27.68569225880557]}, {"abc": [0.333333, 0.666667, 0.05262514], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 2.516726339711168]}, {"abc": [0.0, 0.0, 0.61849956], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 29.57890722479347]}, {"abc": [0.0, -0.0, 0.82887783], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 39.6399642293329]}, {"abc": [0.333333, 0.666667, 0.72380912], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 34.61519489025894]}, {"abc": [0.666667, 0.333333, 0.77633195], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 37.12702839221584]}, {"abc": [0.333333, 0.666667, 0.40783926], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 19.504362515906113]}, {"abc": [0.666667, 0.333333, 0.3553274], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 16.99305363940288]}, {"abc": [0.666667, 0.333333, 0.671016], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 32.090435133619195]}, {"abc": [0.0, 0.0, 0.14470959], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 6.920540957455008]}, {"abc": [0.666667, 0.333333, 0.98694266], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 47.19920152624019]}, {"abc": [0.0, -0.0, 0.46064101], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 22.029534990655712]}, {"abc": [-0.0, -0.0, 0.93416144], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 44.67501087104973]}, {"abc": [0.666667, 0.333333, 0.19750128], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 9.445232326273537]}, {"abc": [0.333333, 0.666667, 0.5131775], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 24.542021763688]}, {"abc": [0.666667, 0.333333, 0.56573093], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5381156447814401, 0.8880304286353499, 27.055318669371616]}, {"abc": [0.333333, 0.666667, 0.30256749], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 14.469882106219488]}, {"abc": [-0.0, -0.0, 0.2500268], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 11.95719447385216]}, {"abc": [-0.0, -0.0, 0.03943376], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.885866383744512]}, {"abc": [0.333333, 0.666667, 0.88164826], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 42.16363886732691]}, {"abc": [0.333333, 0.666667, 0.09220634], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.204781439862913e-06, 1.7760635213646498, 4.409643842588608]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   32.90377964\n_cell_length_b   32.90377960\n_cell_length_c   32.90377991\n_cell_angle_alpha   5.39747702\n_cell_angle_beta   5.39747756\n_cell_angle_gamma   5.39747801\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si13 C13'\n_cell_volume   273.17465331\n_cell_formula_units_Z   13\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  Si  Si0  1  0.61536500  0.61536500  0.61536500  1.0\n  Si  Si1  1  0.15383000  0.15383000  0.15383000  1.0\n  Si  Si2  1  0.92307100  0.92307100  0.92307100  1.0\n  Si  Si3  1  0.76921700  0.76921700  0.76921700  1.0\n  Si  Si4  1  0.71791300  0.71791300  0.71791300  1.0\n  Si  Si5  1  0.07690200  0.07690200  0.07690200  1.0\n  Si  Si6  1  0.35896100  0.35896100  0.35896100  1.0\n  Si  Si7  1  0.99998000  0.99998000  0.99998000  1.0\n  Si  Si8  1  0.30765500  0.30765500  0.30765500  1.0\n  Si  Si9  1  0.46150500  0.46150500  0.46150500  1.0\n  Si  Si10  1  0.23075600  0.23075600  0.23075600  1.0\n  Si  Si11  1  0.87176300  0.87176300  0.87176300  1.0\n  Si  Si12  1  0.51281000  0.51281000  0.51281000  1.0\n  C  C13  1  0.53206700  0.53206700  0.53206700  1.0\n  C  C14  1  0.32690400  0.32690400  0.32690400  1.0\n  C  C15  1  0.17314200  0.17314200  0.17314200  1.0\n  C  C16  1  0.89101100  0.89101100  0.89101100  1.0\n  C  C17  1  0.09622100  0.09622100  0.09622100  1.0\n  C  C18  1  0.94232900  0.94232900  0.94232900  1.0\n  C  C19  1  0.01929600  0.01929600  0.01929600  1.0\n  C  C20  1  0.48075300  0.48075300  0.48075300  1.0\n  C  C21  1  0.63461800  0.63461800  0.63461800  1.0\n  C  C22  1  0.78847800  0.78847800  0.78847800  1.0\n  C  C23  1  0.25006900  0.25006900  0.25006900  1.0\n  C  C24  1  0.37821600  0.37821600  0.37821600  1.0\n  C  C25  1  0.73715800  0.73715800  0.73715800  1.0\n", "composition": {"C": 13.0, "Si": 13.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-570804"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8432999999999993, "density": 3.168511337017803, "energy_above_hull": 0.031695728576924154, "formation_energy_per_atom": -0.274250716291497, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 2.45e-05, "volume": 273.1746533097943}, "record_id": "mp-570804", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 32.90377963874006, "alpha": 5.397477018812187, "b": 32.90377960089991, "beta": 5.397477563517948, "c": 32.903779914866455, "gamma": 5.397478007629807, "matrix": [[3.085402, -0.005619, 32.7588], [1.534446, 2.676791, 32.7588], [-0.009718, -0.005619, 32.903778]], "pbc": [true, true, true], "volume": 273.1746533097942}, "properties": {}, "sites": [{"abc": [0.615365, 0.615365, 0.615365], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.83691264745, 1.640288021845, 60.56507127297001]}, {"abc": [0.15383, 0.15383, 0.15383], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.7091762979, 0.41004201799, 15.14016057774]}, {"abc": [0.923071, 0.923071, 0.923071], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.25547730923, 2.4604946732629998, 90.849919811838]}, {"abc": [0.769217, 0.769217, 0.769217], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.54619036821, 2.0503886820010004, 75.707397121026]}, {"abc": [0.717913, 0.717913, 0.717913], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.30967225869, 1.9136351508890004, 70.657986744114]}, {"abc": [0.076902, 0.076902, 0.076902], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.35452821726, 0.204986356806, 7.5688008109560005]}, {"abc": [0.358961, 0.358961, 0.358961], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.65485687493, 0.956829570433, 35.329436268258]}, {"abc": [0.99998, 0.99998, 0.99998], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.6100377973999995, 2.6654996889400002, 98.41940957244]}, {"abc": [0.307655, 0.307655, 0.307655], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.41832954515, 0.820070708215, 30.279829048590003]}, {"abc": [0.461505, 0.461505, 0.461505], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.12759804565, 1.2301660372650003, 45.42195805389]}, {"abc": [0.230756, 0.230756, 0.230756], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.06381515828, 0.615092348068, 22.711323501768]}, {"abc": [0.871763, 0.871763, 0.871763], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.0189407591899995, 2.3237304799389995, 85.800115749414]}, {"abc": [0.51281, 0.51281, 0.51281], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.3641207652999996, 1.36692223393, 50.47146685218]}, {"abc": [0.532067, 0.532067, 0.532067], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.45289803871, 1.418252788051, 52.36676732832599]}, {"abc": [0.326904, 0.326904, 0.326904], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5070699375199998, 0.8713799379119999, 32.174342153712]}, {"abc": [0.173142, 0.173142, 0.173142], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.79820712846, 0.46151917752599997, 17.040874229676]}, {"abc": [0.891011, 0.891011, 0.891011], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [4.10767654143, 2.3750370440830006, 87.69453043315801]}, {"abc": [0.096221, 0.096221, 0.096221], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.44359131873, 0.2564821752130001, 9.470203412538]}, {"abc": [0.942329, 0.942329, 0.942329], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [4.34425919277, 2.511827892937, 92.745318709362]}, {"abc": [0.019296, 0.019296, 0.019296], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.08895706848, 0.051434510688, 1.899138909888]}, {"abc": [0.480753, 0.480753, 0.480753], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.2163338278899998, 1.281472601409, 47.316372737634]}, {"abc": [0.634618, 0.634618, 0.634618], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.92567148034, 1.691607913754, 62.459978063604005]}, {"abc": [0.788478, 0.788478, 0.788478], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [3.63498608214, 2.1017298983340003, 77.603091282684]}, {"abc": [0.250069, 0.250069, 0.250069], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.15285059897, 0.6665721731569999, 24.612135575082]}, {"abc": [0.378216, 0.378216, 0.378216], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.74362492808, 1.008154793448, 37.224539901648]}, {"abc": [0.737158, 0.737158, 0.737158], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [3.3983942105400002, 1.964933718374, 72.552106163724]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07650930\n_cell_length_b   3.07650915\n_cell_length_c   67.94943436\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000157\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si27 C27'\n_cell_volume   556.97142492\n_cell_formula_units_Z   27\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  Si  Si0  1  0.00000000  -0.00000000  0.22222246  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.96293980  1.0\n  Si  Si2  1  0.66666700  0.33333300  0.40736803  1.0\n  Si  Si3  1  0.33333300  0.66666700  0.29625707  1.0\n  Si  Si4  1  0.33333300  0.66666700  0.51848553  1.0\n  Si  Si5  1  0.66666700  0.33333300  0.62959711  1.0\n  Si  Si6  1  -0.00000000  0.00000000  0.92588138  1.0\n  Si  Si7  1  -0.00000000  0.00000000  0.77776121  1.0\n  Si  Si8  1  0.00000000  -0.00000000  0.44443230  1.0\n  Si  Si9  1  0.33333300  0.66666700  0.74070524  1.0\n  Si  Si10  1  0.33333300  0.66666700  0.14813649  1.0\n  Si  Si11  1  0.00000000  0.00000000  0.66666133  1.0\n  Si  Si12  1  0.66666700  0.33333300  0.18517707  1.0\n  Si  Si13  1  0.66666700  0.33333300  0.48148334  1.0\n  Si  Si14  1  0.33333300  0.66666700  0.88888906  1.0\n  Si  Si15  1  0.66666700  0.33333300  0.11107983  1.0\n  Si  Si16  1  0.33333300  0.66666700  0.81479544  1.0\n  Si  Si17  1  0.66666700  0.33333300  0.25926849  1.0\n  Si  Si18  1  0.00000000  -0.00000000  0.99998381  1.0\n  Si  Si19  1  0.66666700  0.33333300  0.85184688  1.0\n  Si  Si20  1  -0.00000000  0.00000000  0.55554723  1.0\n  Si  Si21  1  -0.00000000  0.00000000  0.07408537  1.0\n  Si  Si22  1  0.00000000  0.00000000  0.33331886  1.0\n  Si  Si23  1  0.66666700  0.33333300  0.70371160  1.0\n  Si  Si24  1  0.33333300  0.66666700  0.59260305  1.0\n  Si  Si25  1  0.33333300  0.66666700  0.37037042  1.0\n  Si  Si26  1  0.33333300  0.66666700  0.03703869  1.0\n  C  C27  1  -0.00000000  0.00000000  0.80561210  1.0\n  C  C28  1  0.66666700  0.33333300  0.50926596  1.0\n  C  C29  1  0.33333300  0.66666700  0.91666398  1.0\n  C  C30  1  0.33333300  0.66666700  0.06489266  1.0\n  C  C31  1  0.66666700  0.33333300  0.99079593  1.0\n  C  C32  1  0.66666700  0.33333300  0.43514664  1.0\n  C  C33  1  0.66666700  0.33333300  0.13885194  1.0\n  C  C34  1  -0.00000000  -0.00000000  0.47229116  1.0\n  C  C35  1  0.33333300  0.66666700  0.76847838  1.0\n  C  C36  1  0.33333300  0.66666700  0.39814915  1.0\n  C  C37  1  0.33333300  0.66666700  0.62038028  1.0\n  C  C38  1  -0.00000000  0.00000000  0.10186240  1.0\n  C  C39  1  -0.00000000  -0.00000000  0.02774689  1.0\n  C  C40  1  0.66666700  0.33333300  0.21293516  1.0\n  C  C41  1  -0.00000000  -0.00000000  0.95365401  1.0\n  C  C42  1  0.00000000  0.00000000  0.58341120  1.0\n  C  C43  1  -0.00000000  0.00000000  0.69452056  1.0\n  C  C44  1  0.66666700  0.33333300  0.87969695  1.0\n  C  C45  1  0.33333300  0.66666700  0.17599250  1.0\n  C  C46  1  0.00000000  0.00000000  0.36117927  1.0\n  C  C47  1  0.66666700  0.33333300  0.73148694  1.0\n  C  C48  1  0.33333300  0.66666700  0.32403274  1.0\n  C  C49  1  0.66666700  0.33333300  0.65737391  1.0\n  C  C50  1  0.66666700  0.33333300  0.28704227  1.0\n  C  C51  1  0.00000000  0.00000000  0.25007827  1.0\n  C  C52  1  0.33333300  0.66666700  0.54626071  1.0\n  C  C53  1  0.33333300  0.66666700  0.84255793  1.0\n", "composition": {"C": 27.0, "Si": 27.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-570985"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9437999999999995, "density": 3.2276256881030623, "energy_above_hull": 5.0489035087863954e-05, "formation_energy_per_atom": -0.30589595583333457, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 556.9714249200168}, "record_id": "mp-570985", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0765093, "alpha": 90.0, "b": 3.07650915383303, "beta": 90.0, "c": 67.94943436, "gamma": 120.0000015716399, "matrix": [[3.0765093, -0.0, -0.0], [-1.53825465, 2.66433504, 0.0], [-0.0, 0.0, 67.94943436]], "pbc": [true, true, true], "volume": 556.9714249200168}, "properties": {}, "sites": [{"abc": [0.0, -0.0, 0.22222246], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 15.099890459087726]}, {"abc": [0.666667, 0.333333, 0.9629398], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 65.43121473273153]}, {"abc": [0.666667, 0.333333, 0.40736803], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 27.68042721484751]}, {"abc": [0.333333, 0.666667, 0.29625707], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 20.130500331650925]}, {"abc": [0.333333, 0.666667, 0.51848553], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 35.230798487344806]}, {"abc": [0.666667, 0.333333, 0.62959711], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 42.780767499190695]}, {"abc": [-0.0, 0.0, 0.92588138], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 62.913116055456214]}, {"abc": [-0.0, 0.0, 0.77776121], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 52.84843428664917]}, {"abc": [0.0, -0.0, 0.4444323], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 30.198923396313827]}, {"abc": [0.333333, 0.666667, 0.74070524], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 50.33050208548805]}, {"abc": [0.333333, 0.666667, 0.14813649], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 10.065790703575797]}, {"abc": [0.0, 0.0, 0.66666133], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 45.2992602831853]}, {"abc": [0.666667, 0.333333, 0.18517707], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 12.582677162942124]}, {"abc": [0.666667, 0.333333, 0.48148334], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 32.71652060676356]}, {"abc": [0.333333, 0.666667, 0.88888906], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 60.3995088357921]}, {"abc": [0.666667, 0.333333, 0.11107983], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 7.5478116173049585]}, {"abc": [0.333333, 0.666667, 0.81479544], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 55.36488926710732]}, {"abc": [0.666667, 0.333333, 0.25926849], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 17.61714724287132]}, {"abc": [0.0, -0.0, 0.99998381], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 67.94833425865771]}, {"abc": [0.666667, 0.333333, 0.85184688], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 57.88251365733079]}, {"abc": [-0.0, 0.0, 0.55554723], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 37.749120038764815]}, {"abc": [-0.0, 0.0, 0.07408537], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 5.0340589858513125]}, {"abc": [0.0, 0.0, 0.33331886], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 22.64882799852003]}, {"abc": [0.666667, 0.333333, 0.7037116], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 47.816805172570575]}, {"abc": [0.333333, 0.666667, 0.59260305], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 40.2670420475108]}, {"abc": [0.333333, 0.666667, 0.37037042], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 25.16646054267563]}, {"abc": [0.333333, 0.666667, 0.03703869], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 2.516758034935388]}, {"abc": [-0.0, 0.0, 0.8056121], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 54.740886508571755]}, {"abc": [0.666667, 0.333333, 0.50926596], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 34.60433392080238]}, {"abc": [0.333333, 0.666667, 0.91666398], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 62.286798939186355]}, {"abc": [0.333333, 0.666667, 0.06489266], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 4.409419541115798]}, {"abc": [0.666667, 0.333333, 0.99079593], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 67.32402300969015]}, {"abc": [0.666667, 0.333333, 0.43514664], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 29.567968051654546]}, {"abc": [0.666667, 0.333333, 0.13885194], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 9.43491078278866]}, {"abc": [-0.0, -0.0, 0.47229116], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 32.091917175228254]}, {"abc": [0.333333, 0.666667, 0.76847838], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 52.21767123888914]}, {"abc": [0.333333, 0.666667, 0.39814915], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 27.054009533414792]}, {"abc": [0.333333, 0.666667, 0.62038028], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 42.15448911409842]}, {"abc": [-0.0, 0.0, 0.1018624], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 6.921492462552064]}, {"abc": [-0.0, -0.0, 0.02774689], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.8853854807491404]}, {"abc": [0.666667, 0.333333, 0.21293516], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 14.468823677356099]}, {"abc": [-0.0, -0.0, 0.95365401], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 64.80025055464579]}, {"abc": [0.0, 0.0, 0.5834112], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 39.64246103928883]}, {"abc": [-0.0, 0.0, 0.69452056], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 47.192279203390434]}, {"abc": [0.666667, 0.333333, 0.87969695], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 59.774910160717205]}, {"abc": [0.333333, 0.666667, 0.1759925], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 11.958590826602299]}, {"abc": [0.0, 0.0, 0.36117927], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 24.541927099057716]}, {"abc": [0.666667, 0.333333, 0.73148694], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 49.70412381472726]}, {"abc": [0.333333, 0.666667, 0.32403274], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 22.017841397120943]}, {"abc": [0.666667, 0.333333, 0.65737391], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 44.66818534752154]}, {"abc": [0.666667, 0.333333, 0.28704227], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53825618825465, 0.88811079188832, 19.504359883910396]}, {"abc": [0.0, 0.0, 0.25007827], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 16.992676992227356]}, {"abc": [0.333333, 0.666667, 0.54626071], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 37.118106257592]}, {"abc": [0.333333, 0.666667, 0.84255793], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5382546498798888e-06, 1.7762242481116801, 57.251334759032474]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07407789\n_cell_length_b   3.07407877\n_cell_length_c   90.52691929\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00002235\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si36 C36'\n_cell_volume   740.86338824\n_cell_formula_units_Z   36\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  Si  Si0  1  -0.00000000  0.00000000  0.16666232  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.61110579  1.0\n  Si  Si2  1  0.33333300  0.66666700  0.91664067  1.0\n  Si  Si3  1  -0.00000000  0.00000000  0.41666893  1.0\n  Si  Si4  1  0.33333300  0.66666700  0.36112479  1.0\n  Si  Si5  1  0.66666700  0.33333300  0.27776601  1.0\n  Si  Si6  1  0.33333300  0.66666700  0.80556143  1.0\n  Si  Si7  1  0.33333300  0.66666700  0.30552954  1.0\n  Si  Si8  1  0.66666700  0.33333300  0.77774970  1.0\n  Si  Si9  1  0.33333300  0.66666700  0.13886585  1.0\n  Si  Si10  1  0.00000000  0.00000000  0.66665404  1.0\n  Si  Si11  1  0.33333300  0.66666700  0.02778001  1.0\n  Si  Si12  1  0.66666700  0.33333300  0.52775911  1.0\n  Si  Si13  1  0.33333300  0.66666700  0.63890117  1.0\n  Si  Si14  1  -0.00000000  0.00000000  0.83330992  1.0\n  Si  Si15  1  0.33333300  0.66666700  0.19445532  1.0\n  Si  Si16  1  0.33333300  0.66666700  0.47221595  1.0\n  Si  Si17  1  0.66666700  0.33333300  0.11111946  1.0\n  Si  Si18  1  0.66666700  0.33333300  0.05552727  1.0\n  Si  Si19  1  -0.00000000  0.00000000  0.49997922  1.0\n  Si  Si20  1  0.66666700  0.33333300  0.22219395  1.0\n  Si  Si21  1  -0.00000000  0.00000000  0.55555652  1.0\n  Si  Si22  1  -0.00000000  0.00000000  0.72221892  1.0\n  Si  Si23  1  -0.00000000  0.00000000  0.08330913  1.0\n  Si  Si24  1  0.66666700  0.33333300  0.94443497  1.0\n  Si  Si25  1  0.66666700  0.33333300  0.38886548  1.0\n  Si  Si26  1  0.66666700  0.33333300  0.69444537  1.0\n  Si  Si27  1  0.66666700  0.33333300  0.86111503  1.0\n  Si  Si28  1  -0.00000000  0.00000000  0.33332376  1.0\n  Si  Si29  1  0.33333300  0.66666700  0.58329321  1.0\n  Si  Si30  1  -0.00000000  0.00000000  0.00000864  1.0\n  Si  Si31  1  -0.00000000  0.00000000  0.88889145  1.0\n  Si  Si32  1  0.66666700  0.33333300  0.44447012  1.0\n  Si  Si33  1  0.33333300  0.66666700  0.74996679  1.0\n  Si  Si34  1  -0.00000000  -0.00000000  0.24999158  1.0\n  Si  Si35  1  0.33333300  0.66666700  0.97220980  1.0\n  C  C36  1  -0.00000000  -0.00000000  0.74304691  1.0\n  C  C37  1  -0.00000000  0.00000000  0.27087783  1.0\n  C  C38  1  0.33333300  0.66666700  0.38195278  1.0\n  C  C39  1  -0.00000000  -0.00000000  0.57638129  1.0\n  C  C40  1  0.66666700  0.33333300  0.46530025  1.0\n  C  C41  1  0.66666700  0.33333300  0.13195341  1.0\n  C  C42  1  0.66666700  0.33333300  0.40969988  1.0\n  C  C43  1  0.33333300  0.66666700  0.82639502  1.0\n  C  C44  1  0.00000000  0.00000000  0.43757069  1.0\n  C  C45  1  0.66666700  0.33333300  0.29860077  1.0\n  C  C46  1  -0.00000000  -0.00000000  0.10421445  1.0\n  C  C47  1  0.66666700  0.33333300  0.71533221  1.0\n  C  C48  1  -0.00000000  0.00000000  0.90971952  1.0\n  C  C49  1  0.66666700  0.33333300  0.79865242  1.0\n  C  C50  1  0.00000000  -0.00000000  0.52080405  1.0\n  C  C51  1  0.66666700  0.33333300  0.88199950  1.0\n  C  C52  1  0.66666700  0.33333300  0.07634688  1.0\n  C  C53  1  0.33333300  0.66666700  0.99303131  1.0\n  C  C54  1  0.66666700  0.33333300  0.24302103  1.0\n  C  C55  1  0.00000000  -0.00000000  0.18755701  1.0\n  C  C56  1  0.66666700  0.33333300  0.63200446  1.0\n  C  C57  1  0.33333300  0.66666700  0.04860684  1.0\n  C  C58  1  -0.00000000  0.00000000  0.85414582  1.0\n  C  C59  1  0.33333300  0.66666700  0.60412969  1.0\n  C  C60  1  -0.00000000  0.00000000  0.35422528  1.0\n  C  C61  1  0.33333300  0.66666700  0.15969679  1.0\n  C  C62  1  0.33333300  0.66666700  0.49306081  1.0\n  C  C63  1  0.33333300  0.66666700  0.65973697  1.0\n  C  C64  1  0.33333300  0.66666700  0.93746830  1.0\n  C  C65  1  0.33333300  0.66666700  0.77078970  1.0\n  C  C66  1  0.33333300  0.66666700  0.32635988  1.0\n  C  C67  1  0.66666700  0.33333300  0.54865423  1.0\n  C  C68  1  0.33333300  0.66666700  0.21528274  1.0\n  C  C69  1  -0.00000000  0.00000000  0.02089373  1.0\n  C  C70  1  0.66666700  0.33333300  0.96532235  1.0\n  C  C71  1  -0.00000000  0.00000000  0.68748096  1.0\n", "composition": {"C": 36.0, "Si": 36.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-571286"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8003999999999998, "density": 3.235315816935428, "energy_above_hull": 0.00028339133333510347, "formation_energy_per_atom": -0.3056630535350864, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 740.8633882359936}, "record_id": "mp-571286", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07407789, "alpha": 90.0, "b": 3.074078765909663, "beta": 90.0, "c": 90.52691929, "gamma": 120.00002234783358, "matrix": [[3.07407789, 1e-08, 0.0], [-1.53704043, 2.6622297, 0.0], [-0.0, 0.0, 90.52691929]], "pbc": [true, true, true], "volume": 740.8633882359936}, "properties": {}, "sites": [{"abc": [-0.0, 0.0, 0.16666232], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 15.087426391324152]}, {"abc": [0.666667, 0.333333, 0.61110579], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 55.32152452898168]}, {"abc": [0.333333, 0.666667, 0.91664067], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 82.98065595102152]}, {"abc": [-0.0, 0.0, 0.41666893], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 37.71975459676066]}, {"abc": [0.333333, 0.666667, 0.36112479], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 32.691514717948195]}, {"abc": [0.666667, 0.333333, 0.27776601], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 25.145301168775333]}, {"abc": [0.333333, 0.666667, 0.80556143], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 72.92499455674698]}, {"abc": [0.333333, 0.666667, 0.30552954], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 27.658648008290825]}, {"abc": [0.666667, 0.333333, 0.7777497], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 70.40728431972171]}, {"abc": [0.333333, 0.666667, 0.13886585], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 12.571097595087247]}, {"abc": [0.0, 0.0, 0.66665404], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 60.35013647343242]}, {"abc": [0.333333, 0.666667, 0.02778001], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 2.514838723145393]}, {"abc": [0.666667, 0.333333, 0.52775911], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 47.776406355532224]}, {"abc": [0.333333, 0.666667, 0.63890117], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 57.83775465087657]}, {"abc": [-0.0, 0.0, 0.83330992], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 75.43697987139636]}, {"abc": [0.333333, 0.666667, 0.19445532], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 17.60344105915112]}, {"abc": [0.333333, 0.666667, 0.47221595], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 42.748255193100675]}, {"abc": [0.666667, 0.333333, 0.11111946], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 10.059302386968383]}, {"abc": [0.666667, 0.333333, 0.05552727], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 5.026712689684038]}, {"abc": [-0.0, 0.0, 0.49997922], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 45.26157849561715]}, {"abc": [0.666667, 0.333333, 0.22219395], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 20.114533778376295]}, {"abc": [-0.0, 0.0, 0.55555652], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 50.292820247073266]}, {"abc": [-0.0, 0.0, 0.72221892], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 65.38025388055097]}, {"abc": [-0.0, 0.0, 0.08330913], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 7.541718887630116]}, {"abc": [0.666667, 0.333333, 0.94443497], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 85.49678830384356]}, {"abc": [0.666667, 0.333333, 0.38886548], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 35.20279392262711]}, {"abc": [0.666667, 0.333333, 0.69444537], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 62.865999961304176]}, {"abc": [0.666667, 0.333333, 0.86111503], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 77.95409082021592]}, {"abc": [-0.0, 0.0, 0.33332376], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 30.17477311895933]}, {"abc": [0.333333, 0.666667, 0.58329321], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 52.80373734407502]}, {"abc": [-0.0, 0.0, 8.64e-06], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0007821525826656]}, {"abc": [-0.0, 0.0, 0.88889145], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 80.46860455172107]}, {"abc": [0.666667, 0.333333, 0.44447012], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 40.23651068005662]}, {"abc": [0.333333, 0.666667, 0.74996679], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 67.89218306851038]}, {"abc": [-0.0, -0.0, 0.24999158], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 22.630967585839578]}, {"abc": [0.333333, 0.666667, 0.9722098], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 88.01115809754704]}, {"abc": [-0.0, -0.0, 0.74304691], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 67.26574765025389]}, {"abc": [-0.0, 0.0, 0.27087783], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 24.521735453860337]}, {"abc": [0.333333, 0.666667, 0.38195278], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 34.57700848765112]}, {"abc": [-0.0, -0.0, 0.57638129], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 52.178022520096086]}, {"abc": [0.666667, 0.333333, 0.46530025], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 42.12219817736682]}, {"abc": [0.666667, 0.333333, 0.13195341], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 11.945335697110277]}, {"abc": [0.666667, 0.333333, 0.40969988], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 37.088867969882685]}, {"abc": [0.333333, 0.666667, 0.82639502], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 74.81099527719793]}, {"abc": [0.0, 0.0, 0.43757069], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 39.61192653729961]}, {"abc": [0.666667, 0.333333, 0.29860077], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 27.03140780572185]}, {"abc": [-0.0, -0.0, 0.10421445], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 9.43421310400174]}, {"abc": [0.666667, 0.333333, 0.71533221], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 64.75682124020733]}, {"abc": [-0.0, 0.0, 0.90971952], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 82.35410556357753]}, {"abc": [0.666667, 0.333333, 0.79865242], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 72.29954316610318]}, {"abc": [0.0, -0.0, 0.52080405], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 47.14678620025512]}, {"abc": [0.666667, 0.333333, 0.8819995], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 79.84469755032036]}, {"abc": [0.666667, 0.333333, 0.07634688], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 6.911447843803315]}, {"abc": [0.333333, 0.666667, 0.99303131], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 89.89606525281296]}, {"abc": [0.666667, 0.333333, 0.24302103], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 21.999945168582666]}, {"abc": [0.0, -0.0, 0.18755701], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 16.97895830654372]}, {"abc": [0.666667, 0.333333, 0.63200446], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 57.213416741340026]}, {"abc": [0.333333, 0.666667, 0.04860684], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 4.400227481621943]}, {"abc": [-0.0, 0.0, 0.85414582], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 77.32318970903086]}, {"abc": [0.333333, 0.666667, 0.60412969], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 54.689999687322725]}, {"abc": [-0.0, 0.0, 0.35422528], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 32.06692333303765]}, {"abc": [0.333333, 0.666667, 0.15969679], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 14.456858419202078]}, {"abc": [0.333333, 0.666667, 0.49306081], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 44.635276151932025]}, {"abc": [0.333333, 0.666667, 0.65973697], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 59.72395543581914]}, {"abc": [0.333333, 0.666667, 0.9374683], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 84.8661171310335]}, {"abc": [0.333333, 0.666667, 0.7707897], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 69.77721696146331]}, {"abc": [0.333333, 0.666667, 0.32635988], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 29.54435451625408]}, {"abc": [0.666667, 0.333333, 0.54865423], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 49.6679771973271]}, {"abc": [0.333333, 0.666667, 0.21528274], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-2.5270394399257157e-06, 1.7748206907432302, 19.488883228510055]}, {"abc": [-0.0, 0.0, 0.02089373], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.8914450093770516]}, {"abc": [0.666667, 0.333333, 0.96532235], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.53703998703944, 0.8874090192567701, 87.38765846728313]}, {"abc": [-0.0, 0.0, 0.68748096], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 62.23553337933172]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07361211\n_cell_length_b   3.07361225\n_cell_length_c   98.10372014\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999842\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si39 C39'\n_cell_volume   802.62789917\n_cell_formula_units_Z   39\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  Si  Si0  1  0.33333300  0.66666700  0.17945686  1.0\n  Si  Si1  1  0.00000000  -0.00000000  0.79485877  1.0\n  Si  Si2  1  0.33333300  0.66666700  0.61536710  1.0\n  Si  Si3  1  0.66666700  0.33333300  0.46155441  1.0\n  Si  Si4  1  0.33333300  0.66666700  0.97435208  1.0\n  Si  Si5  1  0.33333300  0.66666700  0.76927417  1.0\n  Si  Si6  1  0.00000000  0.00000000  0.53841861  1.0\n  Si  Si7  1  0.33333300  0.66666700  0.56406393  1.0\n  Si  Si8  1  0.33333300  0.66666700  0.92303858  1.0\n  Si  Si9  1  0.00000000  -0.00000000  0.15382955  1.0\n  Si  Si10  1  0.66666700  0.33333300  0.05131512  1.0\n  Si  Si11  1  0.00000000  -0.00000000  0.89738850  1.0\n  Si  Si12  1  0.66666700  0.33333300  0.41029912  1.0\n  Si  Si13  1  0.33333300  0.66666700  0.33335023  1.0\n  Si  Si14  1  0.33333300  0.66666700  0.43593717  1.0\n  Si  Si15  1  0.00000000  0.00000000  0.84608623  1.0\n  Si  Si16  1  0.33333300  0.66666700  0.51274567  1.0\n  Si  Si17  1  0.66666700  0.33333300  0.82047525  1.0\n  Si  Si18  1  -0.00000000  0.00000000  0.48712587  1.0\n  Si  Si19  1  0.66666700  0.33333300  0.58971380  1.0\n  Si  Si20  1  -0.00000000  0.00000000  0.69235935  1.0\n  Si  Si21  1  0.66666700  0.33333300  0.25636292  1.0\n  Si  Si22  1  0.66666700  0.33333300  0.74363414  1.0\n  Si  Si23  1  0.66666700  0.33333300  0.20505298  1.0\n  Si  Si24  1  0.33333300  0.66666700  0.71797889  1.0\n  Si  Si25  1  0.33333300  0.66666700  0.02569505  1.0\n  Si  Si26  1  -0.00000000  0.00000000  0.23070061  1.0\n  Si  Si27  1  -0.00000000  0.00000000  0.64099112  1.0\n  Si  Si28  1  0.33333300  0.66666700  0.12820029  1.0\n  Si  Si29  1  0.33333300  0.66666700  0.87171053  1.0\n  Si  Si30  1  -0.00000000  0.00000000  0.07697120  1.0\n  Si  Si31  1  0.66666700  0.33333300  0.35898030  1.0\n  Si  Si32  1  -0.00000000  0.00000000  0.30766844  1.0\n  Si  Si33  1  0.66666700  0.33333300  0.10260943  1.0\n  Si  Si34  1  -0.00000000  0.00000000  0.00002666  1.0\n  Si  Si35  1  0.66666700  0.33333300  0.66667851  1.0\n  Si  Si36  1  0.66666700  0.33333300  0.94869205  1.0\n  Si  Si37  1  -0.00000000  0.00000000  0.38464849  1.0\n  Si  Si38  1  0.33333300  0.66666700  0.28198910  1.0\n  C  C39  1  0.00000000  -0.00000000  0.40393843  1.0\n  C  C40  1  0.00000000  0.00000000  0.66023553  1.0\n  C  C41  1  -0.00000000  0.00000000  0.32697557  1.0\n  C  C42  1  0.66666700  0.33333300  0.42951583  1.0\n  C  C43  1  0.66666700  0.33333300  0.60900702  1.0\n  C  C44  1  0.33333300  0.66666700  0.19867890  1.0\n  C  C45  1  0.00000000  0.00000000  0.91667430  1.0\n  C  C46  1  -0.00000000  0.00000000  0.86529261  1.0\n  C  C47  1  -0.00000000  0.00000000  0.01932427  1.0\n  C  C48  1  0.33333300  0.66666700  0.45521134  1.0\n  C  C49  1  0.33333300  0.66666700  0.73720601  1.0\n  C  C50  1  0.33333300  0.66666700  0.78849342  1.0\n  C  C51  1  0.33333300  0.66666700  0.14741481  1.0\n  C  C52  1  0.33333300  0.66666700  0.04492714  1.0\n  C  C53  1  0.66666700  0.33333300  0.83974486  1.0\n  C  C54  1  0.66666700  0.33333300  0.12182855  1.0\n  C  C55  1  0.33333300  0.66666700  0.35259004  1.0\n  C  C56  1  0.66666700  0.33333300  0.76291964  1.0\n  C  C57  1  0.66666700  0.33333300  0.27560471  1.0\n  C  C58  1  0.66666700  0.33333300  0.96798641  1.0\n  C  C59  1  0.00000000  -0.00000000  0.81406706  1.0\n  C  C60  1  -0.00000000  0.00000000  0.71159328  1.0\n  C  C61  1  0.00000000  -0.00000000  0.55770138  1.0\n  C  C62  1  0.33333300  0.66666700  0.94226354  1.0\n  C  C63  1  0.66666700  0.33333300  0.37821460  1.0\n  C  C64  1  -0.00000000  0.00000000  0.50633282  1.0\n  C  C65  1  0.33333300  0.66666700  0.89098262  1.0\n  C  C66  1  0.33333300  0.66666700  0.30123047  1.0\n  C  C67  1  0.66666700  0.33333300  0.22427787  1.0\n  C  C68  1  0.66666700  0.33333300  0.68598529  1.0\n  C  C69  1  -0.00000000  0.00000000  0.17310557  1.0\n  C  C70  1  0.33333300  0.66666700  0.99358431  1.0\n  C  C71  1  0.66666700  0.33333300  0.48076467  1.0\n  C  C72  1  0.33333300  0.66666700  0.53201410  1.0\n  C  C73  1  0.33333300  0.66666700  0.58328755  1.0\n  C  C74  1  0.66666700  0.33333300  0.07054389  1.0\n  C  C75  1  -0.00000000  0.00000000  0.09625413  1.0\n  C  C76  1  0.33333300  0.66666700  0.63460178  1.0\n  C  C77  1  0.00000000  0.00000000  0.24999859  1.0\n", "composition": {"C": 39.0, "Si": 39.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-571298"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8971999999999998, "density": 3.2352114356703163, "energy_above_hull": 0.00043198793589738216, "formation_energy_per_atom": -0.3055144569325246, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 802.6278991734457}, "record_id": "mp-571298", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07361211, "alpha": 90.0, "b": 3.0736122472423015, "beta": 90.0, "c": 98.10372014, "gamma": 119.99999841530563, "matrix": [[3.07361211, -0.0, -0.0], [-1.53680605, 2.66182633, -0.0], [0.0, 0.0, 98.10372014]], "pbc": [true, true, true], 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1.77455177394211, 34.5903946083114]}, {"abc": [0.666667, 0.333333, 0.76291964], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5368075934727201, 0.8872745560578899, 74.84525485186954]}, {"abc": [0.666667, 0.333333, 0.27560471], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5368075934727201, 0.8872745560578899, 27.037847339105856]}, {"abc": [0.666667, 0.333333, 0.96798641], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5368075934727201, 0.8872745560578899, 94.96306786596328]}, {"abc": [0.0, -0.0, 0.81406706], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 79.86300702943258]}, {"abc": [-0.0, 0.0, 0.71159328], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 69.80994799462465]}, {"abc": [0.0, -0.0, 0.55770138], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 54.71258010521179]}, {"abc": [0.333333, 0.666667, 0.94226354], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5334727201388176e-06, 1.77455177394211, 92.43955862628569]}, {"abc": [0.666667, 0.333333, 0.3782146], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5368075934727201, 0.8872745560578899, 37.104259271262045]}, {"abc": [-0.0, 0.0, 0.50633282], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 49.67313327097699]}, {"abc": [0.333333, 0.666667, 0.89098262], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5334727201388176e-06, 1.77455177394211, 87.40870960208396]}, {"abc": [0.333333, 0.666667, 0.30123047], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5334727201388176e-06, 1.77455177394211, 29.551829726520662]}, {"abc": [0.666667, 0.333333, 0.22427787], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5368075934727201, 0.8872745560578899, 22.002493392075298]}, {"abc": [0.666667, 0.333333, 0.68598529], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5368075934727201, 0.8872745560578899, 67.29770891031673]}, {"abc": [-0.0, 0.0, 0.17310557], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 16.982300393955178]}, {"abc": [0.333333, 0.666667, 0.99358431], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5334727201388176e-06, 1.77455177394211, 97.474317083735]}, {"abc": [0.666667, 0.333333, 0.48076467], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5368075934727201, 0.8872745560578899, 47.16480263887945]}, {"abc": [0.333333, 0.666667, 0.5320141], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5334727201388176e-06, 1.77455177394211, 52.19256237693398]}, {"abc": [0.333333, 0.666667, 0.58328755], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5334727201388176e-06, 1.77455177394211, 57.222678566346254]}, {"abc": [0.666667, 0.333333, 0.07054389], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5368075934727201, 0.8872745560578899, 6.920618042146944]}, {"abc": [-0.0, 0.0, 0.09625413], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 9.442888231839177]}, {"abc": [0.333333, 0.666667, 0.63460178], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5334727201388176e-06, 1.77455177394211, 62.256795425465846]}, {"abc": [0.0, 0.0, 0.24999859], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 24.5257917087546]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07699899\n_cell_length_b   3.07699814\n_cell_length_c   52.83511290\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998780\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si21 C21'\n_cell_volume   433.21941502\n_cell_formula_units_Z   21\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  Si  Si0  1  0.66666700  0.33333300  0.47619269  1.0\n  Si  Si1  1  0.66666700  0.33333300  0.19047420  1.0\n  Si  Si2  1  0.33333300  0.66666700  0.61906628  1.0\n  Si  Si3  1  0.66666700  0.33333300  0.09519542  1.0\n  Si  Si4  1  0.33333300  0.66666700  0.76188325  1.0\n  Si  Si5  1  0.66666700  0.33333300  0.90478046  1.0\n  Si  Si6  1  -0.00000000  -0.00000000  0.71426867  1.0\n  Si  Si7  1  -0.00000000  -0.00000000  0.28571807  1.0\n  Si  Si8  1  0.33333300  0.66666700  0.95234483  1.0\n  Si  Si9  1  0.33333300  0.66666700  0.52375160  1.0\n  Si  Si10  1  0.00000000  0.00000000  0.14284073  1.0\n  Si  Si11  1  0.33333300  0.66666700  0.23805511  1.0\n  Si  Si12  1  0.00000000  0.00000000  0.99999108  1.0\n  Si  Si13  1  -0.00000000  -0.00000000  0.42856314  1.0\n  Si  Si14  1  0.33333300  0.66666700  0.33335458  1.0\n  Si  Si15  1  0.33333300  0.66666700  0.04762735  1.0\n  Si  Si16  1  0.66666700  0.33333300  0.80947546  1.0\n  Si  Si17  1  0.66666700  0.33333300  0.66666373  1.0\n  Si  Si18  1  -0.00000000  -0.00000000  0.57141810  1.0\n  Si  Si19  1  0.66666700  0.33333300  0.38092187  1.0\n  Si  Si20  1  -0.00000000  -0.00000000  0.85713670  1.0\n  C  C21  1  0.33333300  0.66666700  0.27376332  1.0\n  C  C22  1  0.66666700  0.33333300  0.70240139  1.0\n  C  C23  1  0.66666700  0.33333300  0.94048628  1.0\n  C  C24  1  0.33333300  0.66666700  0.65478991  1.0\n  C  C25  1  0.33333300  0.66666700  0.79761571  1.0\n  C  C26  1  -0.00000000  0.00000000  0.32152746  1.0\n  C  C27  1  0.33333300  0.66666700  0.08333141  1.0\n  C  C28  1  -0.00000000  0.00000000  0.60724065  1.0\n  C  C29  1  -0.00000000  -0.00000000  0.03579755  1.0\n  C  C30  1  0.66666700  0.33333300  0.22618657  1.0\n  C  C31  1  0.00000000  -0.00000000  0.17864565  1.0\n  C  C32  1  0.66666700  0.33333300  0.51189161  1.0\n  C  C33  1  0.00000000  -0.00000000  0.89295228  1.0\n  C  C34  1  0.00000000  -0.00000000  0.46436978  1.0\n  C  C35  1  0.33333300  0.66666700  0.55946168  1.0\n  C  C36  1  0.33333300  0.66666700  0.98804193  1.0\n  C  C37  1  0.66666700  0.33333300  0.84518824  1.0\n  C  C38  1  0.33333300  0.66666700  0.36905847  1.0\n  C  C39  1  0.66666700  0.33333300  0.13089271  1.0\n  C  C40  1  0.66666700  0.33333300  0.41661996  1.0\n  C  C41  1  -0.00000000  0.00000000  0.75001210  1.0\n", "composition": {"C": 21.0, "Si": 21.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-582034"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6893787448422675, "density": 3.227481018718746, "energy_above_hull": 2.8426654136382012e-05, "formation_energy_per_atom": -0.30591801821428466, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 433.21941502072593}, "record_id": "mp-582034", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.07699899, "alpha": 90.0, "b": 3.0769981350402382, "beta": 90.0, "c": 52.8351129, "gamma": 119.99998779757904, "matrix": [[3.07699899, -0.0, 0.0], [-1.5384985, 2.66475888, 0.0], [0.0, 0.0, 52.8351129]], "pbc": [true, true, true], "volume": 433.21941502072593}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.47619269], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 25.1596945383047]}, {"abc": [0.666667, 0.333333, 0.1904742], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 10.063725861537181]}, {"abc": [0.333333, 0.666667, 0.61906628], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 32.70843679638301]}, {"abc": [0.666667, 0.333333, 0.09519542], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 5.029660763262918]}, {"abc": [0.333333, 0.666667, 0.76188325], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 40.254187530368924]}, {"abc": [0.666667, 0.333333, 0.90478046], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 47.80417775381393]}, {"abc": [-0.0, -0.0, 0.71426867], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 37.73846582038284]}, {"abc": [-0.0, -0.0, 0.28571807], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 15.095946486020102]}, {"abc": [0.333333, 0.666667, 0.95234483], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 50.317246612781304]}, {"abc": [0.333333, 0.666667, 0.5237516], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 27.67247491755564]}, {"abc": [0.0, 0.0, 0.14284073], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 7.547006096268417]}, {"abc": [0.333333, 0.666667, 0.23805511], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 12.577668613271918]}, {"abc": [0.0, 0.0, 0.99999108], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 52.834641610792936]}, {"abc": [-0.0, -0.0, 0.42856314], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 22.643181886678505]}, {"abc": [0.333333, 0.666667, 0.33335458], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 17.612826870032084]}, {"abc": [0.333333, 0.666667, 0.04762735], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 2.516396414377815]}, {"abc": [0.666667, 0.333333, 0.80947546], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 42.768727318879435]}, {"abc": [0.666667, 0.333333, 0.66666373], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 35.22325344088512]}, {"abc": [-0.0, -0.0, 0.5714181], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 30.19093982660349]}, {"abc": [0.666667, 0.333333, 0.38092187], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 20.126050007529123]}, {"abc": [-0.0, -0.0, 0.8571367], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 45.286914315233425]}, {"abc": [0.333333, 0.666667, 0.27376332], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 14.464315920078826]}, {"abc": [0.666667, 0.333333, 0.70240139], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 37.11145674176693]}, {"abc": [0.666667, 0.333333, 0.94048628], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 49.69069878470101]}, {"abc": [0.333333, 0.666667, 0.65478991], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 34.595898820630836]}, {"abc": [0.333333, 0.666667, 0.79761571], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 42.142116088663656]}, {"abc": [-0.0, 0.0, 0.32152746], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 16.98793964955023]}, {"abc": [0.333333, 0.666667, 0.08333141], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 4.402824455466188]}, {"abc": [-0.0, 0.0, 0.60724065], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 32.08362830021939]}, {"abc": [-0.0, -0.0, 0.03579755], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 1.8913675957933949]}, {"abc": [0.666667, 0.333333, 0.22618657], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 11.950592962413753]}, {"abc": [0.0, -0.0, 0.17864565], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 9.438763086843885]}, {"abc": [0.666667, 0.333333, 0.51189161], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 27.04585100691277]}, {"abc": [0.0, -0.0, 0.89295228], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 47.17923452811241]}, {"abc": [0.0, -0.0, 0.46436978], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 24.53502975364816]}, {"abc": [0.333333, 0.666667, 0.55946168], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 29.559221026023668]}, {"abc": [0.333333, 0.666667, 0.98804193], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 52.20330692148389]}, {"abc": [0.666667, 0.333333, 0.84518824], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 44.6556160821523]}, {"abc": [0.333333, 0.666667, 0.36905847], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-8.751658302497134e-07, 1.77650680825296, 19.499245929151265]}, {"abc": [0.666667, 0.333333, 0.13089271], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 6.915731110636958]}, {"abc": [0.666667, 0.333333, 0.41661996], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5385013651658301, 0.8882520717470399, 22.012162622993483]}, {"abc": [-0.0, 0.0, 0.7500121], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 39.62697397986609]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   27.83553980\n_cell_length_b   27.83553980\n_cell_length_c   27.83554037\n_cell_angle_alpha   6.38025180\n_cell_angle_beta   6.38025180\n_cell_angle_gamma   6.38025128\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si11 C11'\n_cell_volume   230.89398398\n_cell_formula_units_Z   11\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  Si  Si0  1  0.90911900  0.90911900  0.90911900  1.0\n  Si  Si1  1  0.36367100  0.36367100  0.36367100  1.0\n  Si  Si2  1  0.18186600  0.18186600  0.18186600  1.0\n  Si  Si3  1  0.54547200  0.54547200  0.54547200  1.0\n  Si  Si4  1  0.42429300  0.42429300  0.42429300  1.0\n  Si  Si5  1  0.60610900  0.60610900  0.60610900  1.0\n  Si  Si6  1  0.00002900  0.00002900  0.00002900  1.0\n  Si  Si7  1  0.81821100  0.81821100  0.81821100  1.0\n  Si  Si8  1  0.30304700  0.30304700  0.30304700  1.0\n  Si  Si9  1  0.72730200  0.72730200  0.72730200  1.0\n  Si  Si10  1  0.12123200  0.12123200  0.12123200  1.0\n  C  C11  1  0.79537700  0.79537700  0.79537700  1.0\n  C  C12  1  0.09845900  0.09845900  0.09845900  1.0\n  C  C13  1  0.88628500  0.88628500  0.88628500  1.0\n  C  C14  1  0.15910000  0.15910000  0.15910000  1.0\n  C  C15  1  0.28027800  0.28027800  0.28027800  1.0\n  C  C16  1  0.34092000  0.34092000  0.34092000  1.0\n  C  C17  1  0.70446800  0.70446800  0.70446800  1.0\n  C  C18  1  0.58333900  0.58333900  0.58333900  1.0\n  C  C19  1  0.97719100  0.97719100  0.97719100  1.0\n  C  C20  1  0.40152300  0.40152300  0.40152300  1.0\n  C  C21  1  0.52270300  0.52270300  0.52270300  1.0\n", "composition": {"C": 11.0, "Si": 11.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-624397"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9959999999999987, "density": 3.17199417739562, "energy_above_hull": 0.03176295504545479, "formation_energy_per_atom": -0.2741834898229676, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 1.16e-05, "volume": 230.89398397599413}, "record_id": "mp-624397", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 27.83553979755106, "alpha": 6.380251800317054, "b": 27.83553979755106, "beta": 6.380251800317054, "c": 27.835540370442423, "gamma": 6.380251275270509, "matrix": [[27.792405, -1.549032, 0.0], [27.792405, 1.549032, 0.0], [27.706069, 0.0, 2.681613]], "pbc": [true, true, true], "volume": 230.89398397599413}, "properties": {}, "sites": [{"abc": [0.909119, 0.909119, 0.909119], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [75.721320625601, 0.0, 2.437905328947]}, {"abc": [0.363671, 0.363671, 0.363671], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [30.290477256809, 0.0, 0.9752248813230001]}, {"abc": [0.181866, 0.181866, 0.181866], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [15.147779000214001, 0.0, 0.487694229858]}, {"abc": [0.545472, 0.545472, 0.545472], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [45.43284234988799, 0.0, 1.4627448063359998]}, {"abc": [0.424293, 0.424293, 0.424293], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [35.339736923546994, 0.0, 1.137789624609]}, {"abc": [0.606109, 0.606109, 0.606109], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [50.483351379811, 0.0, 1.625349773817]}, {"abc": [2.9e-05, 2.9e-05, 2.9e-05], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.002415435491, 0.0, 7.7766777e-05]}, {"abc": [0.818211, 0.818211, 0.818211], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [68.149513397469, 0.0, 2.194125254343]}, {"abc": [0.303047, 0.303047, 0.303047], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [25.241051008313, 0.0, 0.812654774811]}, {"abc": [0.727302, 0.727302, 0.727302], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [60.577622878458, 0.0, 1.950342498126]}, {"abc": [0.121232, 0.121232, 0.121232], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [10.097519842928, 0.0, 0.325097307216]}, {"abc": [0.795377, 0.795377, 0.795377], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [66.247649466383, 0.0, 2.132893303101]}, {"abc": [0.098459, 0.098459, 0.098459], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [8.200736655461, 0.0, 0.26402893436700003]}, {"abc": [0.886285, 0.886285, 0.886285], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [73.819456694515, 0.0, 2.376673377705]}, {"abc": [0.1591, 0.1591, 0.1591], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [13.2515788489, 0.0, 0.4266446283]}, {"abc": [0.280278, 0.280278, 0.280278], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [23.344600984362, 0.0, 0.7515971284140001]}, {"abc": [0.34092, 0.34092, 0.34092], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [28.39552646868, 0.0, 0.9142155039600001]}, {"abc": [0.704468, 0.704468, 0.704468], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [58.675758947371996, 0.0, 1.889110546884]}, {"abc": [0.583339, 0.583339, 0.583339], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [48.586818064981, 0.0, 1.5642894458070002]}, {"abc": [0.977191, 0.977191, 0.977191], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [81.39109734088899, 0.0, 2.620448089083]}, {"abc": [0.401523, 0.401523, 0.401523], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [33.443203608717, 0.0, 1.076729296599]}, {"abc": [0.522703, 0.522703, 0.522703], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [43.536392325937, 0.0, 1.4016871599390002]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.86392389\n_cell_length_b   2.86392389\n_cell_length_c   2.86392389\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   SiC\n_chemical_formula_sum   'Si1 C1'\n_cell_volume   16.60999175\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  Si  Si0  1  0.00000000  0.00000000  0.00000000  1.0\n  C  C1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"C": 1.0, "Si": 1.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-1002206"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.008509313633574, "energy_above_hull": 0.742744805500001, "formation_energy_per_atom": 0.4367983606315793, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.001676, "volume": 16.609991746502004}, "record_id": "mp-1002206", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.863923885161755, "alpha": 59.99999999999999, "b": 2.863923885161755, "beta": 59.99999999999999, "c": 2.863923885161755, "gamma": 59.99999999999999, "matrix": [[0.0, 2.0251, 2.0251], [2.0251, 0.0, 2.0251], [2.0251, 2.0251, 0.0]], "pbc": [true, true, true], "volume": 16.609991746502004}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.0251, 2.0251, 2.0251]}], "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_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07596352\n_cell_length_b   3.07596352\n_cell_length_c   42.83310360\n_cell_angle_alpha   87.94223710\n_cell_angle_beta   87.94223710\n_cell_angle_gamma   59.99962663\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si17 C17'\n_cell_volume   350.66892973\n_cell_formula_units_Z   17\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  Si  Si0  1  0.99991963  0.99991963  0.00026676  1.0\n  Si  Si1  1  0.94111806  0.94111806  0.17663225  1.0\n  Si  Si2  1  0.86276918  0.86276918  0.41167229  1.0\n  Si  Si3  1  0.78433023  0.78433023  0.64699563  1.0\n  Si  Si4  1  0.70582510  0.70582510  0.88255774  1.0\n  Si  Si5  1  0.62739888  0.62739888  0.11782095  1.0\n  Si  Si6  1  0.58819961  0.58819961  0.23538745  1.0\n  Si  Si7  1  0.54903231  0.54903231  0.35290042  1.0\n  Si  Si8  1  0.50984883  0.50984883  0.47044328  1.0\n  Si  Si9  1  0.47060748  0.47060748  0.58811002  1.0\n  Si  Si10  1  0.43136456  0.43136456  0.70588099  1.0\n  Si  Si11  1  0.39212556  0.39212556  0.82367187  1.0\n  Si  Si12  1  0.35287496  0.35287496  0.94140508  1.0\n  Si  Si13  1  0.31364807  0.31364807  0.05909661  1.0\n  Si  Si14  1  0.23527174  0.23527174  0.29415107  1.0\n  Si  Si15  1  0.15691409  0.15691409  0.52927274  1.0\n  Si  Si16  1  0.07839679  0.07839679  0.76478558  1.0\n  C  C17  1  0.98515500  0.98515500  0.04452330  1.0\n  C  C18  1  0.92637952  0.92637952  0.22085008  1.0\n  C  C19  1  0.84804819  0.84804819  0.45587769  1.0\n  C  C20  1  0.76957236  0.76957236  0.69127478  1.0\n  C  C21  1  0.69106448  0.69106448  0.92682207  1.0\n  C  C22  1  0.61268533  0.61268533  0.16191643  1.0\n  C  C23  1  0.57351962  0.57351962  0.27944468  1.0\n  C  C24  1  0.53434811  0.53434811  0.39695756  1.0\n  C  C25  1  0.49516378  0.49516378  0.51453174  1.0\n  C  C26  1  0.45592851  0.45592851  0.63223191  1.0\n  C  C27  1  0.41666108  0.41666108  0.75002170  1.0\n  C  C28  1  0.37739399  0.37739399  0.86780629  1.0\n  C  C29  1  0.33815909  0.33815909  0.98552465  1.0\n  C  C30  1  0.29893170  0.29893170  0.10321334  1.0\n  C  C31  1  0.22054651  0.22054651  0.33835634  1.0\n  C  C32  1  0.14215491  0.14215491  0.57352303  1.0\n  C  C33  1  0.06364372  0.06364372  0.80907269  1.0\n", "composition": {"C": 17.0, "Si": 17.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-1197730"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.4162999999999997, "density": 3.2277801552814944, "energy_above_hull": 0.00017536472136292502, "formation_energy_per_atom": -0.30577108014705845, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 350.66892973081065}, "record_id": "mp-1197730", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.075963519293684, "alpha": 87.94223709902012, "b": 3.075963519293684, "beta": 87.94223709902012, "c": 42.83310360180464, "gamma": 59.99962662738421, "matrix": [[-1.53797308, -2.66386756, 7.4e-07], [1.53797308, -2.66386756, 7.4e-07], [0.0, -1.77592459, 42.79627152]], "pbc": [true, true, true], "volume": 350.6689297308107}, "properties": {}, "sites": [{"abc": [0.99991963, 0.99991963, 0.00026676], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.327780675572034, 0.0114178132717276]}, {"abc": [0.94111806, 0.94111806, 0.17663225], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.327713296490294, 7.559203123043248]}, {"abc": [0.86276918, 0.86276918, 0.41167229], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.327704603572213, 17.618040376998568]}, {"abc": [0.78433023, 0.78433023, 0.64699563], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.327719160988219, 27.6890018145422]}, {"abc": [0.7058251, 0.7058251, 0.88255774], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.327805166408338, 37.770181717738716]}, {"abc": [0.62739888, 0.62739888, 0.11782095], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.551856169546826, 5.042298295494686]}, {"abc": [0.58819961, 0.58819961, 0.23538745], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5518020803996984, 10.073706093135847]}, {"abc": [0.54903231, 0.54903231, 0.35290042], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5518232537010546, 15.102823006409857]}, {"abc": [0.50984883, 0.50984883, 0.47044328], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.551811306634165, 20.133219100215655]}, {"abc": [0.47060748, 0.47060748, 0.58811002], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5517110450740894, 25.1689167960517]}, {"abc": [0.43136456, 0.43136456, 0.70588099], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5517875235898915, 30.209075147265956]}, {"abc": [0.39212556, 0.39212556, 0.82367187], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5519202454859506, 35.25008557225197]}, {"abc": [0.35287496, 0.35287496, 0.94140508], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5518887480835124, 40.288627936242264]}, {"abc": [0.31364807, 0.31364807, 0.05909661], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7759849607438583, 2.5291150316706905]}, {"abc": [0.23527174, 0.23527174, 0.29415107], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7758556303293203, 12.588569407820701]}, {"abc": [0.15691409, 0.15691409, 0.52927274], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7759451818985175, 22.65090012140722]}, {"abc": [0.07839679, 0.07839679, 0.76478558], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.775878848977677, 32.72997145228793]}, {"abc": [0.985155, 0.985155, 0.0445233], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.327714915441547, 1.9054326937958161]}, {"abc": [0.92637952, 0.92637952, 0.22085008], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.327717790928209, 9.451561359935411]}, {"abc": [0.84804819, 0.84804819, 0.45587769], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.327780525018829, 19.50986665626171]}, {"abc": [0.76957236, 0.76957236, 0.69127478], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.3277295700021225, 29.583984318775357]}, {"abc": [0.69106448, 0.69106448, 0.92682207], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.327774604948239, 39.66452998122387]}, {"abc": [0.61268533, 0.61268533, 0.16191643], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.551776519711803, 6.929420408603362]}, {"abc": [0.57351962, 0.57351962, 0.27944468], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5518333002397355, 11.95919124890855]}, {"abc": [0.53434811, 0.53434811, 0.39695756], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5518318839430236, 16.988304310511893]}, {"abc": [0.49516378, 0.49516378, 0.51453174], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.55187103025944, 22.020040783540438]}, {"abc": [0.45592851, 0.45592851, 0.63223191], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5518625304879383, 27.057169158742397]}, {"abc": [0.41666108, 0.41666108, 0.7500217], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5518418491167325, 32.09813293575038]}, {"abc": [0.37739399, 0.37739399, 0.86780629], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5518137443675997, 37.13887417214696]}, {"abc": [0.33815909, 0.33815909, 0.98552465], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5518395199263844, 42.17678101152842]}, {"abc": [0.2989317, 0.2989317, 0.10321334], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7759280250933347, 4.417146565544992]}, {"abc": [0.22054651, 0.22054651, 0.33835634], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7759087313088315, 14.48039012356227]}, {"abc": [0.14215491, 0.14215491, 0.57352303], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.775897358395747, 24.54464752524237]}, {"abc": [0.06364372, 0.06364372, 0.80907269], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7759289674798935, 34.625294614849494]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.09791827\n_cell_length_b   3.09791800\n_cell_length_c   70.75363045\n_cell_angle_alpha   88.74556396\n_cell_angle_beta   88.74556392\n_cell_angle_gamma   60.00000290\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si28 C28'\n_cell_volume   587.86883800\n_cell_formula_units_Z   28\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  Si  Si0  1  0.99988100  0.99988100  0.00035700  1.0\n  Si  Si1  1  0.03560800  0.03560800  0.89317700  1.0\n  Si  Si2  1  0.07142300  0.07142300  0.78573200  1.0\n  Si  Si3  1  0.10721400  0.10721400  0.67835700  1.0\n  Si  Si4  1  0.14284400  0.14284400  0.57146800  1.0\n  Si  Si5  1  0.17861300  0.17861300  0.46416200  1.0\n  Si  Si6  1  0.21434100  0.21434100  0.35697700  1.0\n  Si  Si7  1  0.25010900  0.25010900  0.24967300  1.0\n  Si  Si8  1  0.29762300  0.29762300  0.10713000  1.0\n  Si  Si9  1  0.32137800  0.32137800  0.03586600  1.0\n  Si  Si10  1  0.34508200  0.34508200  0.96475500  1.0\n  Si  Si11  1  0.39280500  0.39280500  0.82158500  1.0\n  Si  Si12  1  0.41669800  0.41669800  0.74990700  1.0\n  Si  Si13  1  0.46429400  0.46429400  0.60711800  1.0\n  Si  Si14  1  0.48808000  0.48808000  0.53576000  1.0\n  Si  Si15  1  0.53577500  0.53577500  0.39267600  1.0\n  Si  Si16  1  0.55957800  0.55957800  0.32126500  1.0\n  Si  Si17  1  0.60721400  0.60721400  0.17835800  1.0\n  Si  Si18  1  0.64285000  0.64285000  0.07145100  1.0\n  Si  Si19  1  0.69032500  0.69032500  0.92902600  1.0\n  Si  Si20  1  0.71422000  0.71422000  0.85734000  1.0\n  Si  Si21  1  0.76195900  0.76195900  0.71412400  1.0\n  Si  Si22  1  0.78576400  0.78576400  0.64270800  1.0\n  Si  Si23  1  0.83332900  0.83332900  0.50001300  1.0\n  Si  Si24  1  0.85722200  0.85722200  0.42833500  1.0\n  Si  Si25  1  0.90483600  0.90483600  0.28549200  1.0\n  Si  Si26  1  0.92866500  0.92866500  0.21400600  1.0\n  Si  Si27  1  0.95242600  0.95242600  0.14272100  1.0\n  C  C28  1  0.00883000  0.00883000  0.97351100  1.0\n  C  C29  1  0.04460100  0.04460100  0.86619600  1.0\n  C  C30  1  0.08040700  0.08040700  0.75877800  1.0\n  C  C31  1  0.11618200  0.11618200  0.65145500  1.0\n  C  C32  1  0.15180700  0.15180700  0.54457800  1.0\n  C  C33  1  0.18759300  0.18759300  0.43722100  1.0\n  C  C34  1  0.22329300  0.22329300  0.33012000  1.0\n  C  C35  1  0.25906800  0.25906800  0.22279500  1.0\n  C  C36  1  0.30656800  0.30656800  0.08029700  1.0\n  C  C37  1  0.33029300  0.33029300  0.00912200  1.0\n  C  C38  1  0.35403900  0.35403900  0.93788400  1.0\n  C  C39  1  0.40176600  0.40176600  0.79470300  1.0\n  C  C40  1  0.42566100  0.42566100  0.72301800  1.0\n  C  C41  1  0.47322600  0.47322600  0.58032100  1.0\n  C  C42  1  0.49702900  0.49702900  0.50891300  1.0\n  C  C43  1  0.54470600  0.54470600  0.36588200  1.0\n  C  C44  1  0.56852800  0.56852800  0.29441700  1.0\n  C  C45  1  0.61616500  0.61616500  0.15150600  1.0\n  C  C46  1  0.65181000  0.65181000  0.04457000  1.0\n  C  C47  1  0.69929700  0.69929700  0.90211000  1.0\n  C  C48  1  0.72318100  0.72318100  0.83045800  1.0\n  C  C49  1  0.77091200  0.77091200  0.68726400  1.0\n  C  C50  1  0.79469700  0.79469700  0.61590800  1.0\n  C  C51  1  0.84229000  0.84229000  0.47313000  1.0\n  C  C52  1  0.86616400  0.86616400  0.40150800  1.0\n  C  C53  1  0.91378700  0.91378700  0.25864000  1.0\n  C  C54  1  0.93758000  0.93758000  0.18726000  1.0\n  C  C55  1  0.96136800  0.96136800  0.11589700  1.0\n", "composition": {"C": 28.0, "Si": 28.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-1199063"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.6849000000000007, "density": 3.171245803006005, "energy_above_hull": 0.03186745960714177, "formation_energy_per_atom": -0.27407898526127944, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0025853, "volume": 587.8688380002918}, "record_id": "mp-1199063", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0979182712035835, "alpha": 88.74556395988365, "b": 3.097918, "beta": 88.74556392327176, "c": 70.75363045388798, "gamma": 60.00000289592605, "matrix": [[-1.548959, -2.682876, 0.0], [-3.097918, 0.0, 0.0], [-1.548959, -0.894292, -70.73102]], "pbc": [true, true, true], "volume": 587.8688380002918}, "properties": {}, "sites": [{"abc": [0.999881, 0.999881, 0.000357], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646877, -2.682876, -0.02525097414]}, {"abc": [0.035608, 0.035608, 0.893177], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5489605489590001, -0.894292894292, -63.175320250540004]}, {"abc": [0.071423, 0.071423, 0.785732], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.548960548959, -0.8942928942919999, -55.57562580664]}, {"abc": [0.107214, 0.107214, 0.678357], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.548957451041, -0.894291105708, -47.98088253414]}, {"abc": [0.142844, 0.142844, 0.571468], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.548959, -0.8942919999999999, -40.42051453736]}, {"abc": [0.178613, 0.178613, 0.464162], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.548960548959, -0.894292894292, -32.83065170524]}, {"abc": [0.214341, 0.214341, 0.356977], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.548959, -0.8942919999999999, -25.24934732654]}, {"abc": [0.250109, 0.250109, 0.249673], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.5489590000000002, -0.8942920000000001, -17.65962595646]}, {"abc": [0.297623, 0.297623, 0.10713], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.548957451041, -0.8942911057080001, -7.5774141726]}, {"abc": [0.321378, 0.321378, 0.035866], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-1.548959, -0.894292, -2.53683876332]}, {"abc": [0.345082, 0.345082, 0.964755], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.097919548959, -1.788584894292, -68.23810520010001]}, {"abc": [0.392805, 0.392805, 0.821585], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.097918, -1.788584, -58.1115450667]}, {"abc": [0.416698, 0.416698, 0.749907], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.097919548959, -1.7885848942920002, -53.04168701514]}, {"abc": [0.464294, 0.464294, 0.607118], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.097918, -1.7885839999999997, -42.942075400360004]}, {"abc": [0.48808, 0.48808, 0.53576], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.097918, -1.788584, -37.894851275200004]}, {"abc": [0.535775, 0.535775, 0.392676], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.0979195489589997, -1.788584894292, -27.774374009520002]}, {"abc": [0.559578, 0.559578, 0.321265], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.0979164510409998, -1.788583105708, -22.723401140300002]}, {"abc": [0.607214, 0.607214, 0.178358], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.0979180000000004, -1.788584, -12.61544326516]}, {"abc": [0.64285, 0.64285, 0.071451], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-3.097919548959, -1.788584894292, -5.05380211002]}, {"abc": [0.690325, 0.690325, 0.929026], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646878548959, -2.682876894292, -65.71095658652]}, {"abc": [0.71422, 0.71422, 0.85734], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646877, -2.682876, -60.6405326868]}, {"abc": [0.761959, 0.761959, 0.714124], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646878548959, -2.682876894292, -50.51071892648]}, {"abc": [0.785764, 0.785764, 0.642708], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646877, -2.682876, -45.45939240216]}, {"abc": [0.833329, 0.833329, 0.500013], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646877, -2.682876, -35.36642950326]}, {"abc": [0.857222, 0.857222, 0.428335], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646878548959, -2.682876894292, -30.2965714517]}, {"abc": [0.904836, 0.904836, 0.285492], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646877, -2.6828759999999994, -20.19314036184]}, {"abc": [0.928665, 0.928665, 0.214006], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [-4.646878548958999, 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-46.0780766341]}, {"abc": [0.151807, 0.151807, 0.544578], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5489574510409998, -0.894291105708, -38.51855740956]}, {"abc": [0.187593, 0.187593, 0.437221], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.548959, -0.894292, -30.925087295420003]}, {"abc": [0.223293, 0.223293, 0.33012], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5489574510409998, -0.894291105708, -23.349724322400004]}, {"abc": [0.259068, 0.259068, 0.222795], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5489574510410002, -0.8942911057080001, -15.7585176009]}, {"abc": [0.306568, 0.306568, 0.080297], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.5489605489590001, -0.894292894292, -5.67948871294]}, {"abc": [0.330293, 0.330293, 0.009122], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-1.548960548959, -0.894292894292, -0.64520836444]}, {"abc": [0.354039, 0.354039, 0.937884], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.097919548959, -1.788584894292, -66.33749196168]}, {"abc": [0.401766, 0.401766, 0.794703], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.097919548959, -1.7885848942920002, -56.21015378706]}, {"abc": [0.425661, 0.425661, 0.723018], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.097919548959, -1.788584894292, -51.139800618360006]}, {"abc": [0.473226, 0.473226, 0.580321], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.0979164510409998, -1.7885831057079997, -41.046696257419995]}, {"abc": [0.497029, 0.497029, 0.508913], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.097918, -1.788584, -35.99593558126]}, {"abc": [0.544706, 0.544706, 0.365882], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.097918, -1.788584, -25.87920705964]}, {"abc": [0.568528, 0.568528, 0.294417], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.097919548959, -1.7885848942919997, -20.824414715339998]}, {"abc": [0.616165, 0.616165, 0.151506], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.0979195489589997, -1.7885848942919997, -10.71617391612]}, {"abc": [0.65181, 0.65181, 0.04457], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-3.0979179999999995, -1.788584, -3.1524815614]}, {"abc": [0.699297, 0.699297, 0.90211], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646878548959, -2.682876894292, -63.8071604522]}, {"abc": [0.723181, 0.723181, 0.830458], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646878548958999, -2.682876894292, -58.739141407160005]}, {"abc": [0.770912, 0.770912, 0.687264], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646877, -2.6828760000000003, -48.61088372928]}, {"abc": [0.794697, 0.794697, 0.615908], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646875451041, -2.682875105708, -43.56380106616]}, {"abc": [0.84229, 0.84229, 0.47313], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646877, -2.682876, -33.4649674926]}, {"abc": [0.866164, 0.866164, 0.401508], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646877, -2.682876, -28.399070378159998]}, {"abc": [0.913787, 0.913787, 0.25864], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646878548959, -2.682876894292, -18.2938710128]}, {"abc": [0.93758, 0.93758, 0.18726], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646877, -2.682876, -13.2450908052]}, {"abc": [0.961368, 0.961368, 0.115897], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [-4.646878548958999, -2.682876894292, -8.19751302494]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.09771981\n_cell_length_b   3.09771981\n_cell_length_c   73.25353179\n_cell_angle_alpha   88.78845802\n_cell_angle_beta   88.78845802\n_cell_angle_gamma   60.00000395\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si29 C29'\n_cell_volume   608.57486130\n_cell_formula_units_Z   29\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  Si  Si0  1  0.00001400  0.00001400  0.99995800  1.0\n  Si  Si1  1  0.97701700  0.97701700  0.06894800  1.0\n  Si  Si2  1  0.93105100  0.93105100  0.20684800  1.0\n  Si  Si3  1  0.90805700  0.90805700  0.27582900  1.0\n  Si  Si4  1  0.86208700  0.86208700  0.41373800  1.0\n  Si  Si5  1  0.83908600  0.83908600  0.48274200  1.0\n  Si  Si6  1  0.79311900  0.79311900  0.62064400  1.0\n  Si  Si7  1  0.77012000  0.77012000  0.68964100  1.0\n  Si  Si8  1  0.72415800  0.72415800  0.82752700  1.0\n  Si  Si9  1  0.70115800  0.70115800  0.89652700  1.0\n  Si  Si10  1  0.65518200  0.65518200  0.03445300  1.0\n  Si  Si11  1  0.62069900  0.62069900  0.13790400  1.0\n  Si  Si12  1  0.58621900  0.58621900  0.24134400  1.0\n  Si  Si13  1  0.55173600  0.55173600  0.34479300  1.0\n  Si  Si14  1  0.51725100  0.51725100  0.44824800  1.0\n  Si  Si15  1  0.48276700  0.48276700  0.55169800  1.0\n  Si  Si16  1  0.44828500  0.44828500  0.65514500  1.0\n  Si  Si17  1  0.41380300  0.41380300  0.75859200  1.0\n  Si  Si18  1  0.37932200  0.37932200  0.86203400  1.0\n  Si  Si19  1  0.34484000  0.34484000  0.96548000  1.0\n  Si  Si20  1  0.29886700  0.29886700  0.10339900  1.0\n  Si  Si21  1  0.27586600  0.27586600  0.17240100  1.0\n  Si  Si22  1  0.22990600  0.22990600  0.31028200  1.0\n  Si  Si23  1  0.20690600  0.20690600  0.37928300  1.0\n  Si  Si24  1  0.16093600  0.16093600  0.51719200  1.0\n  Si  Si25  1  0.13793700  0.13793700  0.58619000  1.0\n  Si  Si26  1  0.09196700  0.09196700  0.72409800  1.0\n  Si  Si27  1  0.06897400  0.06897400  0.79307800  1.0\n  Si  Si28  1  0.02300800  0.02300800  0.93097500  1.0\n  C  C29  1  0.99138400  0.99138400  0.02584800  1.0\n  C  C30  1  0.96838100  0.96838100  0.09485600  1.0\n  C  C31  1  0.92241400  0.92241400  0.23275700  1.0\n  C  C32  1  0.89941800  0.89941800  0.30174700  1.0\n  C  C33  1  0.85345100  0.85345100  0.43964700  1.0\n  C  C34  1  0.83045200  0.83045200  0.50864400  1.0\n  C  C35  1  0.78448600  0.78448600  0.64654200  1.0\n  C  C36  1  0.76148500  0.76148500  0.71554600  1.0\n  C  C37  1  0.71551800  0.71551800  0.85344500  1.0\n  C  C38  1  0.69252000  0.69252000  0.92244100  1.0\n  C  C39  1  0.64652500  0.64652500  0.06042600  1.0\n  C  C40  1  0.61204200  0.61204200  0.16387300  1.0\n  C  C41  1  0.57755900  0.57755900  0.26732200  1.0\n  C  C42  1  0.54307400  0.54307400  0.37077700  1.0\n  C  C43  1  0.50859400  0.50859400  0.47421900  1.0\n  C  C44  1  0.47411100  0.47411100  0.57766600  1.0\n  C  C45  1  0.43962700  0.43962700  0.68111800  1.0\n  C  C46  1  0.40514000  0.40514000  0.78457900  1.0\n  C  C47  1  0.37066100  0.37066100  0.88801700  1.0\n  C  C48  1  0.33618200  0.33618200  0.99145400  1.0\n  C  C49  1  0.29023100  0.29023100  0.12930600  1.0\n  C  C50  1  0.26723100  0.26723100  0.19830700  1.0\n  C  C51  1  0.22126300  0.22126300  0.33621000  1.0\n  C  C52  1  0.19827000  0.19827000  0.40519100  1.0\n  C  C53  1  0.15230200  0.15230200  0.54309300  1.0\n  C  C54  1  0.12930200  0.12930200  0.61209500  1.0\n  C  C55  1  0.08333200  0.08333200  0.75000300  1.0\n  C  C56  1  0.06033400  0.06033400  0.81899800  1.0\n  C  C57  1  0.01437200  0.01437200  0.95688300  1.0\n", "composition": {"C": 29.0, "Si": 29.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-1200168"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9411999999999985, "density": 3.1727532874425513, "energy_above_hull": 0.031712704810345826, "formation_energy_per_atom": -0.274233740058076, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 3.12e-05, "volume": 608.5748612991184}, "record_id": "mp-1200168", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.097719814834131, "alpha": 88.78845801562461, "b": 3.097719814834131, "beta": 88.78845801562461, "c": 73.2535317947222, "gamma": 60.00000395467511, "matrix": [[-1.54886, -2.682704, 0.0], [1.54886, -2.682704, 0.0], [0.0, -1.788469, 73.231696]], "pbc": [true, true, true], "volume": 608.5748612991184}, "properties": {}, "sites": [{"abc": [1.4e-05, 1.4e-05, 0.999958], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7884690000140002, 73.228620268768]}, {"abc": [0.977017, 0.977017, 0.068948], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.365406188548, 5.049178975807999]}, {"abc": [0.931051, 0.931051, 0.206848], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.365409719520001, 15.147829854208]}, {"abc": [0.908057, 0.908057, 0.275829], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.3654079080570005, 20.199425475984]}, {"abc": [0.862087, 0.862087, 0.413738], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.365406073618001, 30.298735439648]}, {"abc": [0.839086, 0.839086, 0.482742], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.365407839086, 35.352015390432]}, {"abc": [0.793119, 0.793119, 0.620644], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.3654095815880005, 45.450812732223994]}, {"abc": [0.77012, 0.77012, 0.689641], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.3654095585890005, 50.503580061136]}, {"abc": [0.724158, 0.724158, 0.827527], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.365409512627, 60.601205695792004]}, {"abc": [0.701158, 0.701158, 0.896527], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.365409489627, 65.654192719792]}, {"abc": [0.655182, 0.655182, 0.034453], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5769368667130004, 2.523051622288]}, {"abc": [0.620699, 0.620699, 0.137904], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5769404091680004, 10.098943805184]}, {"abc": [0.586219, 0.586219, 0.241344], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5769403746880006, 17.674030439424]}, {"abc": [0.551736, 0.551736, 0.344793], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.576940340205, 25.249776158928]}, {"abc": [0.517251, 0.517251, 0.448248], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5769403057200004, 32.825961268608]}, {"abc": [0.482767, 0.482767, 0.551698], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5769366942980003, 40.401780219808]}, {"abc": [0.448285, 0.448285, 0.655145], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5769384482850004, 47.977379475919996]}, {"abc": [0.413803, 0.413803, 0.758592], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5769402022720005, 55.552978732032]}, {"abc": [0.379322, 0.379322, 0.862034], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.576938379322, 63.128211829664]}, {"abc": [0.34484, 0.34484, 0.96548], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5769383448400003, 70.70373785408]}, {"abc": [0.298867, 0.298867, 0.103399], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7884692988670001, 7.572084134704]}, {"abc": [0.275866, 0.275866, 0.172401], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7884674873970001, 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"properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.788469068974, 58.078447000287994]}, {"abc": [0.023008, 0.023008, 0.930975], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7884672345390003, 68.1768781836]}, {"abc": [0.991384, 0.991384, 0.025848], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.365407991384, 1.892892878208]}, {"abc": [0.968381, 0.968381, 0.094856], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.365406179912001, 6.946465755776]}, {"abc": [0.922414, 0.922414, 0.232757], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.365406133945, 17.045189865872]}, {"abc": [0.899418, 0.899418, 0.301747], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 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34.727861645424]}, {"abc": [0.474111, 0.474111, 0.577666], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5769366856420004, 42.303460901536]}, {"abc": [0.439627, 0.439627, 0.681118], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5769366511580003, 49.879426316128]}, {"abc": [0.40514, 0.40514, 0.784579], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5769366166710004, 57.456050815984]}, {"abc": [0.370661, 0.370661, 0.888017], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.576938370661, 65.030990986832]}, {"abc": [0.336182, 0.336182, 0.991454], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5769383361819997, 72.605857925984]}, {"abc": [0.290231, 0.290231, 0.129306], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7884675017620002, 9.469297682976]}, {"abc": [0.267231, 0.267231, 0.198307], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788469267231, 14.522357938672]}, {"abc": [0.221263, 0.221263, 0.33621], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788467432794, 24.621228512160002]}, {"abc": [0.19827, 0.19827, 0.405191], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788470986739, 29.672824133936]}, {"abc": [0.152302, 0.152302, 0.543093], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7884673638330002, 39.771621475728004]}, {"abc": [0.129302, 0.129302, 0.612095], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788470917771, 44.82475496311999]}, {"abc": [0.083332, 0.083332, 0.750003], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788467294863, 54.923991695088]}, {"abc": [0.060334, 0.060334, 0.818998], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788469060334, 59.976612560608]}, {"abc": [0.014372, 0.014372, 0.956883], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7884672259030001, 70.07416496356801]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07659534\n_cell_length_b   3.07659534\n_cell_length_c   42.81679088\n_cell_angle_alpha   87.94077350\n_cell_angle_beta   87.94077350\n_cell_angle_gamma   59.99997716\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si17 C17'\n_cell_volume   350.68020704\n_cell_formula_units_Z   17\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  Si  Si0  1  0.00001149  0.00001149  0.99997338  1.0\n  Si  Si1  1  0.96080069  0.96080069  0.11764473  1.0\n  Si  Si2  1  0.88238997  0.88238997  0.35287551  1.0\n  Si  Si3  1  0.84313738  0.84313738  0.47057841  1.0\n  Si  Si4  1  0.76473718  0.76473718  0.70582062  1.0\n  Si  Si5  1  0.72549244  0.72549244  0.82353044  1.0\n  Si  Si6  1  0.64704010  0.64704010  0.05880970  1.0\n  Si  Si7  1  0.58824256  0.58824256  0.23526775  1.0\n  Si  Si8  1  0.52944067  0.52944067  0.41173166  1.0\n  Si  Si9  1  0.47056904  0.47056904  0.58821804  1.0\n  Si  Si10  1  0.41177605  0.41177605  0.76468132  1.0\n  Si  Si11  1  0.35297057  0.35297057  0.94115269  1.0\n  Si  Si12  1  0.27453386  0.27453386  0.17640139  1.0\n  Si  Si13  1  0.23528197  0.23528197  0.29411498  1.0\n  Si  Si14  1  0.15689135  0.15689135  0.52934569  1.0\n  Si  Si15  1  0.11763611  0.11763611  0.64706434  1.0\n  Si  Si16  1  0.03922682  0.03922682  0.88229500  1.0\n  C  C17  1  0.98531120  0.98531120  0.04405732  1.0\n  C  C18  1  0.94608179  0.94608179  0.16175677  1.0\n  C  C19  1  0.86766974  0.86766974  0.39698387  1.0\n  C  C20  1  0.82842729  0.82842729  0.51470101  1.0\n  C  C21  1  0.75002294  0.75002294  0.74993035  1.0\n  C  C22  1  0.71078282  0.71078282  0.86765084  1.0\n  C  C23  1  0.63232154  0.63232154  0.10304532  1.0\n  C  C24  1  0.57349479  0.57349479  0.27951634  1.0\n  C  C25  1  0.51467629  0.51467629  0.45597662  1.0\n  C  C26  1  0.45584363  0.45584363  0.63246545  1.0\n  C  C27  1  0.39702312  0.39702312  0.80892704  1.0\n  C  C28  1  0.33820326  0.33820326  0.98538715  1.0\n  C  C29  1  0.25982354  0.25982354  0.22051534  1.0\n  C  C30  1  0.22058692  0.22058692  0.33823546  1.0\n  C  C31  1  0.14217418  0.14217418  0.57346534  1.0\n  C  C32  1  0.10293912  0.10293912  0.69117725  1.0\n  C  C33  1  0.02453560  0.02453560  0.92640287  1.0\n", "composition": {"C": 17.0, "Si": 17.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-1200692"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.3729000000000013, "density": 3.2276763550970253, "energy_above_hull": 2.1850897834241323e-05, "formation_energy_per_atom": -0.30592459397058747, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 350.68020703856683}, "record_id": "mp-1200692", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0765953420880834, "alpha": 87.94077349536009, "b": 3.0765953420880834, "beta": 87.94077349536009, "c": 42.81679088114844, "gamma": 59.999977160734495, "matrix": [[-1.53829714, -2.66441003, 7.83e-06], [1.53829714, -2.66441003, 7.83e-06], [0.0, -1.77639967, 42.77992503]], "pbc": [true, true, true], "volume": 350.6802070385669}, "properties": {}, "sites": [{"abc": [1.149e-05, 1.149e-05, 0.99997338], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7764136103832742, 42.77878622857563]}, {"abc": [0.96080069, 0.96080069, 0.11764473], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.328918050083081, 5.032847775713397]}, {"abc": [0.88238997, 0.88238997, 0.35287551], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.32894531239388, 15.096001680949946]}, {"abc": [0.84313738, 0.84313738, 0.47057841], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.328862716112968, 20.13132230406797]}, {"abc": [0.76473718, 0.76473718, 0.70582062], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.328966341859026, 30.19496518401236]}, {"abc": [0.72549244, 0.72549244, 0.82353044], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.328937869501301, 35.23058184433452]}, {"abc": [0.6470401, 0.6470401, 0.0588097], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.552429796177205, 2.515884689684757]}, {"abc": [0.58824256, 0.58824256, 0.23526775], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.552568307335396, 10.064745918855273]}, {"abc": [0.52944067, 0.52944067, 0.41173166], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.552694047828392, 17.613857838318342]}, {"abc": [0.47056904, 0.47056904, 0.58821804], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.552488072110989, 25.163931021604707]}, {"abc": [0.41177605, 0.41177605, 0.76468132], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5526601199707275, 32.71301598985438]}, {"abc": [0.35297057, 0.35297057, 0.94115269], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5527799819412467, 40.26244704750196]}, {"abc": [0.27453386, 0.27453386, 0.17640139], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.776300911300773, 7.546442538588039]}, {"abc": [0.23528197, 0.23528197, 0.29411498], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7762410349063749, 12.582220479115602]}, {"abc": [0.15689135, 0.15689135, 0.52934569], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7763752821524035, 22.64537139007216]}, {"abc": [0.11763611, 0.11763611, 0.64706434], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7763065427931344, 27.681365796967913]}, {"abc": [0.03922682, 0.03922682, 0.882295], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7763412121486593, 37.74451456863585]}, {"abc": [0.9853112, 0.9853112, 0.04405732], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.328809496611757, 1.8847842765961116]}, {"abc": [0.94608179, 0.94608179, 0.16175677], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.328844293800974, 6.919957309335785]}, {"abc": [0.86766974, 0.86766974, 0.39698387], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.328857931630307, 16.982953784427394]}, {"abc": [0.82842729, 0.82842729, 0.51470101], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.328854665516104, 22.018883593836645]}, {"abc": [0.75002294, 0.75002294, 0.74993035], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.328913314395161, 32.0819758960809]}, {"abc": [0.71078282, 0.71078282, 0.86765084], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.3289284153705925, 37.118049018275485]}, {"abc": [0.63232154, 0.63232154, 0.10304532], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5525773791651365, 4.408280966447676]}, {"abc": [0.57349479, 0.57349479, 0.27951634], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5525832753930953, 11.9576970507884]}, {"abc": [0.51467629, 0.51467629, 0.45597662], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.552614055854093, 19.5066536788635]}, {"abc": [0.45584363, 0.45584363, 0.63246545], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5526200964336194, 27.05683167357646]}, {"abc": [0.39702312, 0.39702312, 0.80892704], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5526424930498646, 34.60584434332187]}, {"abc": [0.33820326, 0.33820326, 0.98538715], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5526657243276363, 42.15479369878842]}, {"abc": [0.25982354, 0.25982354, 0.22051534], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7762762692181504, 9.433633782001596]}, {"abc": [0.22058692, 0.22058692, 0.33823546], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7763093637959133, 14.469691075678732]}, {"abc": [0.14217418, 0.14217418, 0.57346534], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7763242631304887, 24.532806478951123]}, {"abc": [0.10293912, 0.10293912, 0.69117725], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7763510864262546, 29.568512549468185]}, {"abc": [0.0245356, 0.0245356, 0.92640287], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7764075500191887, 39.631445710404336]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.09819922\n_cell_length_b   3.09819922\n_cell_length_c   63.19012442\n_cell_angle_alpha   88.59525918\n_cell_angle_beta   88.59525918\n_cell_angle_gamma   60.00001675\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si25 C25'\n_cell_volume   525.07884755\n_cell_formula_units_Z   25\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  Si  Si0  1  0.00001900  0.00001900  0.99994400  1.0\n  Si  Si1  1  0.96002900  0.96002900  0.11991400  1.0\n  Si  Si2  1  0.90686900  0.90686900  0.27939300  1.0\n  Si  Si3  1  0.88005400  0.88005400  0.35983900  1.0\n  Si  Si4  1  0.85317800  0.85317800  0.44046500  1.0\n  Si  Si5  1  0.79996400  0.79996400  0.60010800  1.0\n  Si  Si6  1  0.74668400  0.74668400  0.75994700  1.0\n  Si  Si7  1  0.72002400  0.72002400  0.83992800  1.0\n  Si  Si8  1  0.69334700  0.69334700  0.91995800  1.0\n  Si  Si9  1  0.64001700  0.64001700  0.07995000  1.0\n  Si  Si10  1  0.61340900  0.61340900  0.15977400  1.0\n  Si  Si11  1  0.58683800  0.58683800  0.23948700  1.0\n  Si  Si12  1  0.53326700  0.53326700  0.40020000  1.0\n  Si  Si13  1  0.49320300  0.49320300  0.52039200  1.0\n  Si  Si14  1  0.44000700  0.44000700  0.67998000  1.0\n  Si  Si15  1  0.40001200  0.40001200  0.79996300  1.0\n  Si  Si16  1  0.34669000  0.34669000  0.95993000  1.0\n  Si  Si17  1  0.32001700  0.32001700  0.03995000  1.0\n  Si  Si18  1  0.26678900  0.26678900  0.19963300  1.0\n  Si  Si19  1  0.22681700  0.22681700  0.31955000  1.0\n  Si  Si20  1  0.17317900  0.17317900  0.48046300  1.0\n  Si  Si21  1  0.14659000  0.14659000  0.56022900  1.0\n  Si  Si22  1  0.11999900  0.11999900  0.64000200  1.0\n  Si  Si23  1  0.09333800  0.09333800  0.71998700  1.0\n  Si  Si24  1  0.04002000  0.04002000  0.87993900  1.0\n  C  C25  1  0.98996600  0.98996600  0.03010200  1.0\n  C  C26  1  0.95000800  0.95000800  0.14997700  1.0\n  C  C27  1  0.89683400  0.89683400  0.30949700  1.0\n  C  C28  1  0.86995700  0.86995700  0.39012800  1.0\n  C  C29  1  0.84314400  0.84314400  0.47056700  1.0\n  C  C30  1  0.78994000  0.78994000  0.63018100  1.0\n  C  C31  1  0.73667000  0.73667000  0.78999100  1.0\n  C  C32  1  0.70999500  0.70999500  0.87001400  1.0\n  C  C33  1  0.68333000  0.68333000  0.95000900  1.0\n  C  C34  1  0.63001700  0.63001700  0.10994900  1.0\n  C  C35  1  0.60342800  0.60342800  0.18971500  1.0\n  C  C36  1  0.57683100  0.57683100  0.26950700  1.0\n  C  C37  1  0.52315600  0.52315600  0.43053100  1.0\n  C  C38  1  0.48318800  0.48318800  0.55043500  1.0\n  C  C39  1  0.42997700  0.42997700  0.71006900  1.0\n  C  C40  1  0.38995700  0.38995700  0.83013000  1.0\n  C  C41  1  0.33667500  0.33667500  0.98997500  1.0\n  C  C42  1  0.30999900  0.30999900  0.07000200  1.0\n  C  C43  1  0.25677100  0.25677100  0.22968600  1.0\n  C  C44  1  0.21671000  0.21671000  0.34986900  1.0\n  C  C45  1  0.16318200  0.16318200  0.51045500  1.0\n  C  C46  1  0.13660000  0.13660000  0.59019900  1.0\n  C  C47  1  0.11000200  0.11000200  0.66999300  1.0\n  C  C48  1  0.08333300  0.08333300  0.75000100  1.0\n  C  C49  1  0.02996800  0.02996800  0.91009500  1.0\n", "composition": {"C": 25.0, "Si": 25.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-1200848"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9337, "density": 3.170062311902404, "energy_above_hull": 0.03204011050000055, "formation_energy_per_atom": -0.2739063343684222, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0003557, "volume": 525.0788475453784}, "record_id": "mp-1200848", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.098199215376732, "alpha": 88.5952591803229, "b": 3.098199215376732, "beta": 88.5952591803229, "c": 63.19012441791613, "gamma": 60.000016754978006, "matrix": [[-1.5491, -2.683119, 0.0], [1.5491, -2.683119, 0.0], [0.0, -1.788746, 63.164802]], "pbc": [true, true, true], "volume": 525.0788475453784}, "properties": {}, "sites": [{"abc": [1.9e-05, 1.9e-05, 0.999944], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.788747788746, 63.16126477108801]}, {"abc": [0.960029, 0.960029, 0.119914], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.366239788746, 7.574344067028001]}, {"abc": [0.906869, 0.906869, 0.279393], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.366238, 17.647803525186]}, {"abc": [0.880054, 0.880054, 0.359839], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.366239788746, 22.729159186878]}, {"abc": [0.853178, 0.853178, 0.440465], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.366236211254, 27.82188451293]}, {"abc": [0.799964, 0.799964, 0.600108], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.366238, 37.905702998616]}, {"abc": [0.746684, 0.746684, 0.759947], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.366236211254, 48.001901785494006]}, {"abc": [0.720024, 0.720024, 0.839928], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.366238, 53.053885814256]}, {"abc": [0.693347, 0.693347, 0.919958], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.366236211254, 58.108964918316005]}, {"abc": [0.640017, 0.640017, 0.07995], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5774937887459997, 5.0500259198999995]}, {"abc": [0.613409, 0.613409, 0.159774], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5774937887459997, 10.092093074748]}, {"abc": [0.586838, 0.586838, 0.239487], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.577493788746, 15.127148936574]}, {"abc": [0.533267, 0.533267, 0.4002], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.577493788746, 25.2785537604]}, {"abc": [0.493203, 0.493203, 0.520392], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5774937887459997, 32.870457642384]}, {"abc": [0.440007, 0.440007, 0.67998], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5774937887459997, 42.950802063960005]}, {"abc": [0.400012, 0.400012, 0.799963], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.577490211254, 50.529504502326]}, {"abc": [0.34669, 0.34669, 0.95993], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.577492, 60.63378838386]}, {"abc": [0.320017, 0.320017, 0.03995], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7887477887460002, 2.5234338399]}, {"abc": [0.266789, 0.266789, 0.199633], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.788746, 12.609778917666]}, {"abc": [0.226817, 0.226817, 0.31955], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.788747788746, 20.1843124791]}, {"abc": [0.173179, 0.173179, 0.480463], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.788746, 30.348350263325997]}, {"abc": [0.14659, 0.14659, 0.560229], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.788744211254, 35.386753859658]}, {"abc": [0.119999, 0.119999, 0.640002], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7887442112539997, 40.425599609604]}, {"abc": [0.093338, 0.093338, 0.719987], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.788747788746, 45.477836297574]}, {"abc": [0.04002, 0.04002, 0.879939], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.788744211254, 55.581172707078004]}, {"abc": [0.989966, 0.989966, 0.030102], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366238000000001, 1.9013868698040002]}, {"abc": [0.950008, 0.950008, 0.149977], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366239788746, 9.473267509554]}, {"abc": [0.896834, 0.896834, 0.309497], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366236211254, 19.549316724594004]}, {"abc": [0.869957, 0.869957, 0.390128], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366236211254, 24.642357874656]}, {"abc": [0.843144, 0.843144, 0.470567], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366236211254, 29.723271382734]}, {"abc": [0.78994, 0.78994, 0.630181], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366239788746, 39.805258089162]}, {"abc": [0.73667, 0.73667, 0.789991], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366239788746, 49.899625096782]}, {"abc": [0.709995, 0.709995, 0.870014], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366236211254, 54.954262047228]}, {"abc": [0.68333, 0.68333, 0.950009], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.366236211254, 60.007130383218]}, {"abc": [0.630017, 0.630017, 0.109949], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5774920000000003, 6.944906815098]}, {"abc": [0.603428, 0.603428, 0.189715], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5774902112539997, 11.98331041143]}, {"abc": [0.576831, 0.576831, 0.269507], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.577492, 17.023356292614]}, {"abc": [0.523156, 0.523156, 0.430531], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.577490211254, 27.194405369862]}, {"abc": [0.483188, 0.483188, 0.550435], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.577490211254, 34.76811778887]}, {"abc": [0.429977, 0.429977, 0.710069], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5774920000000003, 44.851367791338]}, {"abc": [0.389957, 0.389957, 0.83013], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.577493788746, 52.434997084260004]}, {"abc": [0.336675, 0.336675, 0.989975], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5774920000000003, 62.531574859950005]}, {"abc": [0.309999, 0.309999, 0.070002], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7887442112540002, 4.421662469604]}, {"abc": [0.256771, 0.256771, 0.229686], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7887442112540002, 14.508070712172]}, {"abc": [0.21671, 0.21671, 0.349869], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788744211254, 22.099406110938]}, {"abc": [0.163182, 0.163182, 0.510455], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788747788746, 32.24278900491]}, {"abc": [0.1366, 0.1366, 0.590199], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788744211254, 37.279802975598]}, {"abc": [0.110002, 0.110002, 0.669993], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788744211254, 42.319975186385996]}, {"abc": [0.083333, 0.083333, 0.750001], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7887460000000002, 47.373664664802]}, {"abc": [0.029968, 0.029968, 0.910095], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.788744211254, 57.48597047619]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07678129\n_cell_length_b   3.07678129\n_cell_length_c   47.84022062\n_cell_angle_alpha   88.15725281\n_cell_angle_beta   88.15725281\n_cell_angle_gamma   59.99983980\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC\n_chemical_formula_sum   'Si19 C19'\n_cell_volume   391.93745257\n_cell_formula_units_Z   19\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  Si  Si0  1  0.00001098  0.00001098  -0.00000012  1.0\n  Si  Si1  1  0.92981760  0.92981760  0.21053080  1.0\n  Si  Si2  1  0.89472145  0.89472145  0.31580303  1.0\n  Si  Si3  1  0.82457891  0.82457891  0.52625294  1.0\n  Si  Si4  1  0.78946462  0.78946462  0.63154970  1.0\n  Si  Si5  1  0.71930885  0.71930885  0.84203646  1.0\n  Si  Si6  1  0.68419033  0.68419033  0.94740885  1.0\n  Si  Si7  1  0.63159899  0.63159899  0.10525658  1.0\n  Si  Si8  1  0.57892137  0.57892137  0.26318120  1.0\n  Si  Si9  1  0.52633948  0.52633948  0.42104139  1.0\n  Si  Si10  1  0.47367382  0.47367382  0.57889398  1.0\n  Si  Si11  1  0.42107204  0.42107204  0.73682089  1.0\n  Si  Si12  1  0.36841942  0.36841942  0.89472457  1.0\n  Si  Si13  1  0.31581059  0.31581059  0.05257709  1.0\n  Si  Si14  1  0.28069088  0.28069088  0.15794137  1.0\n  Si  Si15  1  0.21057031  0.21057031  0.36836500  1.0\n  Si  Si16  1  0.17543814  0.17543814  0.47369670  1.0\n  Si  Si17  1  0.10528643  0.10528643  0.68414504  1.0\n  Si  Si18  1  0.07017624  0.07017624  0.78946540  1.0\n  C  C19  1  0.98683913  0.98683913  0.03948027  1.0\n  C  C20  1  0.91666527  0.91666527  0.24998902  1.0\n  C  C21  1  0.88158976  0.88158976  0.35525918  1.0\n  C  C22  1  0.81143175  0.81143175  0.56569994  1.0\n  C  C23  1  0.77633372  0.77633372  0.67103008  1.0\n  C  C24  1  0.70617337  0.70617337  0.88150899  1.0\n  C  C25  1  0.67104552  0.67104552  0.98688863  1.0\n  C  C26  1  0.61837615  0.61837615  0.14486238  1.0\n  C  C27  1  0.56574827  0.56574827  0.30274656  1.0\n  C  C28  1  0.51312463  0.51312463  0.46062954  1.0\n  C  C29  1  0.46050866  0.46050866  0.61847640  1.0\n  C  C30  1  0.40786489  0.40786489  0.77640286  1.0\n  C  C31  1  0.35522190  0.35522190  0.93432977  1.0\n  C  C32  1  0.30265887  0.30265887  0.09204795  1.0\n  C  C33  1  0.26752021  0.26752021  0.19742432  1.0\n  C  C34  1  0.19738772  0.19738772  0.40783153  1.0\n  C  C35  1  0.16228249  0.16228249  0.51315788  1.0\n  C  C36  1  0.09212975  0.09212975  0.72361760  1.0\n  C  C37  1  0.05700849  0.05700849  0.82892825  1.0\n", "composition": {"C": 19.0, "Si": 19.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC", "identifiers": {"materials_project_id": "mp-1204356"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 2.2255000000000003, "density": 3.2276701738501856, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.30594644486842226, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 391.9374525744493}, "record_id": "mp-1204356", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0767812902988743, "alpha": 88.15725280976095, "b": 3.0767812902988743, "beta": 88.15725280976095, "c": 47.840220615981856, "gamma": 59.99983979764553, "matrix": [[-1.53838692, -2.66457291, -5e-07], [1.53838692, -2.66457291, -5e-07], [0.0, -1.77636675, 47.80722989]], "pbc": [true, true, true], "volume": 391.93745257444925}, "properties": {}, "sites": [{"abc": [1.098e-05, 1.098e-05, -1.2e-07], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.83008570936e-05, -5.736878566799999e-06]}, {"abc": [0.9298176, 0.9298176, 0.2105308], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.3291134893733325, 10.06489342470801]}, {"abc": [0.89472145, 0.89472145, 0.31580303], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.329083077373092, 15.097667160447116]}, {"abc": [0.82457891, 0.82457891, 0.52625294], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.3291194761924015, 25.15869445828947]}, {"abc": [0.78946462, 0.78946462, 0.6315497], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.329035967763364, 30.192640905395912]}, {"abc": [0.71930885, 0.71930885, 0.84203646], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.329067321098211, 40.25542989967294]}, {"abc": [0.68419033, 0.68419033, 0.94740885], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -5.329095616999657, 45.292992007580196]}, {"abc": [0.63159899, 0.63159899, 0.10525658], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.552857406405437, 5.0320248858961865]}, {"abc": [0.57892137, 0.57892137, 0.2631812], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5526627319492734, 12.5819635522047]}, {"abc": [0.52633948, 0.52633948, 0.42104139], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5528637653127557, 20.12882199859567]}, {"abc": [0.47367382, 0.47367382, 0.57889398], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.5526048757435973, 27.675317110123245]}, {"abc": [0.42107204, 0.42107204, 0.73682089], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.55281843158628, 35.22536525491236]}, {"abc": [0.36841942, 0.36841942, 0.89472457], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -3.552719788655872, 42.77430283780198]}, {"abc": [0.31581059, 0.31581059, 0.05257709], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7763968800979912, 2.5135647127666303]}, {"abc": [0.28069088, 0.28069088, 0.15794137], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.776404427981569, 7.5507391040406695]}, {"abc": [0.21057031, 0.21057031, 0.368365], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7765112252163542, 17.61051002785954]}, {"abc": [0.17543814, 0.17543814, 0.4736967], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7763944979142998, 22.646126859596226]}, {"abc": [0.10528643, 0.10528643, 0.68414504], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7763792395706424, 32.70707910009681]}, {"abc": [0.07017624, 0.07017624, 0.7894654], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, -1.7763595028947667, 37.742153797824564]}, {"abc": [0.98683913, 0.98683913, 0.03948027], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.329141063560959, 1.8874413571701403]}, {"abc": [0.91666527, 0.91666527, 0.24998902], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.329115074952756, 11.951281632450538]}, {"abc": [0.88158976, 0.88158976, 0.35525918], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.329190979443068, 16.98395640720313]}, {"abc": [0.81143175, 0.81143175, 0.56569994], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.32912868262078, 27.044546268907457]}, {"abc": [0.77633372, 0.77633372, 0.67103008], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.3291911212248895, 32.08008852133137]}, {"abc": [0.70617337, 0.70617337, 0.88150899], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.329184122592896, 42.14250222885835]}, {"abc": [0.67104552, 0.67104552, 0.98688863], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -5.329175576222779, 47.18041093919164]}, {"abc": [0.61837615, 0.61837615, 0.14486238], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.552745390118058, 6.925468484696389]}, {"abc": [0.56574827, 0.56574827, 0.30274656], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.552743951103612, 14.47347382657841]}, {"abc": [0.51312463, 0.51312463, 0.46062954], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5527629760273416, 22.021421799780324]}, {"abc": [0.46050866, 0.46050866, 0.6184764], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5527587131325014, 29.56764297583094]}, {"abc": [0.40786489, 0.40786489, 0.77640286], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5527476987771647, 37.1176696074086]}, {"abc": [0.3552219, 0.3552219, 0.93432977], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -3.5527416405206056, 44.66771775223892]}, {"abc": [0.30265887, 0.30265887, 0.09204795], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7764241697320862, 4.400557203894356]}, {"abc": [0.26752021, 0.26752021, 0.19742432], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7763522065763822, 9.438309584596714]}, {"abc": [0.19738772, 0.19738772, 0.40783153], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7763663124509579, 19.49729551371271]}, {"abc": [0.16228249, 0.16228249, 0.51315788], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7763836487751816, 24.532656576742543]}, {"abc": [0.09212975, 0.09212975, 0.7236176], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7763831164649448, 34.594152863520314]}, {"abc": [0.05700849, 0.05700849, 0.82892825], "label": "C", "properties": {}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, -1.7762871376236995, 39.628763353056904]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 -2\"", "number": 160, "point_group": "3m", "symbol": "R3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.18576100\n_cell_length_b   3.18576100\n_cell_length_c   6.88027700\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   SiC2\n_chemical_formula_sum   'Si2 C4'\n_cell_volume   69.82843456\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  Si  Si0  1  0.00000000  0.00000000  0.75000000  1.0\n  Si  Si1  1  0.00000000  0.00000000  0.25000000  1.0\n  C  C2  1  0.00000000  0.50000000  0.40079800  1.0\n  C  C3  1  0.50000000  0.00000000  0.90079800  1.0\n  C  C4  1  0.00000000  0.50000000  0.59920200  1.0\n  C  C5  1  0.50000000  0.00000000  0.09920200  1.0\n", "composition": {"C": 4.0, "Si": 2.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC2", "identifiers": {"materials_project_id": "mp-1019097"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.4782323635490786, "energy_above_hull": 0.5629332144999992, "formation_energy_per_atom": 0.3589689179210526, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.005077, "volume": 69.82843455921478}, "record_id": "mp-1019097", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.185761, "alpha": 90.0, "b": 3.185761, "beta": 90.0, "c": 6.880277, "gamma": 90.0, "matrix": [[3.185761, 0.0, 0.0], [0.0, 3.185761, 0.0], [0.0, 0.0, 6.880277]], "pbc": [true, true, true], "volume": 69.82843455921478}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.75], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 5.1602077500000005]}, {"abc": [0.0, 0.0, 0.25], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 1.72006925]}, {"abc": [0.0, 0.5, 0.400798], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 1.5928805, 2.757601261046]}, {"abc": [0.5, 0.0, 0.900798], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5928805, 0.0, 6.197739761046]}, {"abc": [0.0, 0.5, 0.599202], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 1.5928805, 4.122675738954]}, {"abc": [0.5, 0.0, 0.099202], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.5928805, 0.0, 0.682537238954]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4c 2", "number": 131, "point_group": "4/mmm", "symbol": "P4_2/mmc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.78620300\n_cell_length_b   4.78620300\n_cell_length_c   4.78620300\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   SiC2\n_chemical_formula_sum   'Si4 C8'\n_cell_volume   109.64108988\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  Si  Si0  1  0.50000000  0.50000000  0.00000000  1.0\n  Si  Si1  1  0.50000000  0.00000000  0.50000000  1.0\n  Si  Si2  1  0.00000000  0.50000000  0.50000000  1.0\n  Si  Si3  1  0.00000000  0.00000000  0.00000000  1.0\n  C  C4  1  0.08221000  0.91779000  0.41779000  1.0\n  C  C5  1  0.91779000  0.41779000  0.08221000  1.0\n  C  C6  1  0.41779000  0.08221000  0.91779000  1.0\n  C  C7  1  0.58221000  0.58221000  0.58221000  1.0\n  C  C8  1  0.91779000  0.08221000  0.58221000  1.0\n  C  C9  1  0.08221000  0.58221000  0.91779000  1.0\n  C  C10  1  0.58221000  0.91779000  0.08221000  1.0\n  C  C11  1  0.41779000  0.41779000  0.41779000  1.0\n", "composition": {"C": 8.0, "Si": 4.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC2", "identifiers": {"materials_project_id": "mp-1102811"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.1566830759168636, "energy_above_hull": 0.9814586761666657, "formation_energy_per_atom": 0.7774943795877185, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0018855, "volume": 109.64108987745122}, "record_id": "mp-1102811", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.786203, "alpha": 90.0, "b": 4.786203, "beta": 90.0, "c": 4.786203, "gamma": 90.0, "matrix": [[4.786203, 0.0, 0.0], [0.0, 4.786203, 0.0], [0.0, 0.0, 4.786203]], "pbc": [true, true, true], "volume": 109.64108987745122}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.0], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.3931015, 2.3931015, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.3931015, 0.0, 2.3931015]}, {"abc": [0.0, 0.5, 0.5], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 2.3931015, 2.3931015]}, {"abc": [0.0, 0.0, 0.0], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.08221, 0.91779, 0.41779], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.39347374863000006, 4.3927292513700005, 1.9996277513700003]}, {"abc": [0.91779, 0.41779, 0.08221], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [4.3927292513700005, 1.9996277513700003, 0.39347374863000006]}, {"abc": [0.41779, 0.08221, 0.91779], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.9996277513700003, 0.39347374863000006, 4.3927292513700005]}, {"abc": [0.58221, 0.58221, 0.58221], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.78657524863, 2.78657524863, 2.78657524863]}, {"abc": [0.91779, 0.08221, 0.58221], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [4.3927292513700005, 0.39347374863000006, 2.78657524863]}, {"abc": [0.08221, 0.58221, 0.91779], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.39347374863000006, 2.78657524863, 4.3927292513700005]}, {"abc": [0.58221, 0.91779, 0.08221], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [2.78657524863, 4.3927292513700005, 0.39347374863000006]}, {"abc": [0.41779, 0.41779, 0.41779], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.9996277513700003, 1.9996277513700003, 1.9996277513700003]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 2ac 2ab 3", "number": 205, "point_group": "m-3", "symbol": "Pa-3", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiC3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.30648388\n_cell_length_b   7.30648388\n_cell_length_c   7.30648388\n_cell_angle_alpha   159.85881490\n_cell_angle_beta   159.85881490\n_cell_angle_gamma   28.63457345\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiC3\n_chemical_formula_sum   'Si1 C3'\n_cell_volume   46.22432646\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  Si  Si0  1  0.00000000  0.00000000  0.00000000  1.0\n  C  C1  1  0.75000000  0.25000000  0.50000000  1.0\n  C  C2  1  0.25000000  0.75000000  0.50000000  1.0\n  C  C3  1  0.50000000  0.50000000  0.00000000  1.0\n", "composition": {"C": 3.0, "Si": 1.0}, "description": "", "elements": ["C", "Si"], "formula": "SiC3", "identifiers": {"materials_project_id": "mp-972848"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.3033278784040236, "energy_above_hull": 2.2886085565, "formation_energy_per_atom": 2.1356353340657908, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 1.01e-05, "volume": 46.22432646417578}, "record_id": "mp-972848", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.306483875954083, "alpha": 159.85881489837024, "b": 7.306483875954083, "beta": 159.85881489837024, "c": 7.306483875954083, "gamma": 28.6345734518187, "matrix": [[-1.277622, 1.277622, 7.079553], [1.277622, -1.277622, 7.079553], [1.277622, 1.277622, -7.079553]], "pbc": [true, true, true], "volume": 46.22432646417578}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.75, 0.25, 0.5], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 1.277622, 3.5397765]}, {"abc": [0.25, 0.75, 0.5], "label": "C", "properties": {"magmom": 0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [1.277622, 0.0, 3.5397765]}, {"abc": [0.5, 0.5, 0.0], "label": "C", "properties": {"magmom": -0.0}, "species": [{"element": "C", "occu": 1.0}], "xyz": [0.0, 0.0, 7.079553]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-I 4 2", "number": 139, "point_group": "4/mmm", "symbol": "I4/mmm", "symprec": 0.1, "version": "2.7.0"}}}