raw/materials_project/materials_project-part-153.jsonl

{"cif": "# generated using pymatgen\ndata_Sn2S3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.76347324\n_cell_length_b   9.11779358\n_cell_length_c   14.47365181\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   Sn2S3\n_chemical_formula_sum   'Sn8 S12'\n_cell_volume   496.65716925\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  Sn  Sn0  1  0.75000000  0.84082655  0.05098051  1.0\n  Sn  Sn1  1  0.25000000  0.15917345  0.94901949  1.0\n  Sn  Sn2  1  0.75000000  0.34082655  0.44901949  1.0\n  Sn  Sn3  1  0.25000000  0.65917345  0.55098051  1.0\n  Sn  Sn4  1  0.75000000  0.46996240  0.83553696  1.0\n  Sn  Sn5  1  0.25000000  0.53003760  0.16446304  1.0\n  Sn  Sn6  1  0.75000000  0.96996240  0.66446304  1.0\n  Sn  Sn7  1  0.25000000  0.03003760  0.33553696  1.0\n  S  S8  1  0.75000000  0.97918754  0.89601560  1.0\n  S  S9  1  0.25000000  0.02081246  0.10398440  1.0\n  S  S10  1  0.75000000  0.47918754  0.60398440  1.0\n  S  S11  1  0.25000000  0.52081246  0.39601560  1.0\n  S  S12  1  0.75000000  0.33279959  0.00174614  1.0\n  S  S13  1  0.25000000  0.66720041  0.99825386  1.0\n  S  S14  1  0.75000000  0.83279959  0.49825386  1.0\n  S  S15  1  0.25000000  0.16720041  0.50174614  1.0\n  S  S16  1  0.75000000  0.71970132  0.20752498  1.0\n  S  S17  1  0.25000000  0.28029868  0.79247502  1.0\n  S  S18  1  0.75000000  0.21970132  0.29247502  1.0\n  S  S19  1  0.25000000  0.78029868  0.70752498  1.0\n", "composition": {"S": 12.0, "Sn": 8.0}, "description": "", "elements": ["S", "Sn"], "formula": "Sn2S3", "identifiers": {"materials_project_id": "mp-1509"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.7774000000000001, "density": 4.461675181784953, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.47389199418749967, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 496.657169252844}, "record_id": "mp-1509", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.76347324, "alpha": 90.0, "b": 9.11779358, "beta": 90.0, "c": 14.47365181, "gamma": 90.0, "matrix": [[3.76347324, -0.0, 0.0], [0.0, 9.11779358, 0.0], [0.0, 0.0, 14.47365181]], "pbc": [true, true, true], "volume": 496.657169252844}, "properties": {}, "sites": [{"abc": [0.75, 0.84082655, 0.05098051], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.8226049300000002, 7.666482919483549, 0.7378741508362231]}, {"abc": [0.25, 0.15917345, 0.94901949], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.94086831, 1.451310660516451, 13.735777659163777]}, {"abc": [0.75, 0.34082655, 0.44901949], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.8226049300000002, 3.107586129483549, 6.498951754163777]}, {"abc": [0.25, 0.65917345, 0.55098051], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.94086831, 6.010207450516452, 7.974700055836223]}, {"abc": [0.75, 0.4699624, 0.83553696], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.8226049300000002, 4.285020153561392, 12.093271033425898]}, {"abc": [0.25, 0.5300376, 0.16446304], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.94086831, 4.832773426438608, 2.3803807765741025]}, {"abc": [0.75, 0.9699624, 0.66446304], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.8226049300000002, 8.843916943561393, 9.617206681574102]}, {"abc": [0.25, 0.0300376, 0.33553696], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.94086831, 0.27387663643860805, 4.856445128425897]}, {"abc": [0.75, 0.97918754, 0.8960156], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8226049300000002, 8.928029865827993, 12.968617810728237]}, {"abc": [0.25, 0.02081246, 0.1039844], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.94086831, 0.18976371417200683, 1.505033999271764]}, {"abc": [0.75, 0.47918754, 0.6039844], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8226049300000002, 4.369133075827993, 8.741859904271763]}, {"abc": [0.25, 0.52081246, 0.3960156], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.94086831, 4.748660504172007, 5.731791905728236]}, {"abc": [0.75, 0.33279959, 0.00174614], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8226049300000002, 3.0343979651286324, 0.0252730223715134]}, {"abc": [0.25, 0.66720041, 0.99825386], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.94086831, 6.083395614871368, 14.448378787628487]}, {"abc": [0.75, 0.83279959, 0.49825386], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8226049300000002, 7.593294755128633, 7.211552882628486]}, {"abc": [0.25, 0.16720041, 0.50174614], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.94086831, 1.5244988248713678, 7.262098927371513]}, {"abc": [0.75, 0.71970132, 0.20752498], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8226049300000002, 6.562088075013526, 3.003644302397214]}, {"abc": [0.25, 0.28029868, 0.79247502], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.94086831, 2.555705504986475, 11.470007507602787]}, {"abc": [0.75, 0.21970132, 0.29247502], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8226049300000002, 2.003191285013526, 4.2331816026027855]}, {"abc": [0.25, 0.78029868, 0.70752498], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.94086831, 7.114602294986475, 10.240470207397212]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2ac 2n", "number": 62, "point_group": "mmm", "symbol": "Pnma", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Sn3S\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.18162192\n_cell_length_b   5.18162192\n_cell_length_c   5.18162192\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   Sn3S\n_chemical_formula_sum   'Sn3 S1'\n_cell_volume   98.37441595\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  Sn  Sn0  1  0.25000000  0.25000000  0.25000000  1.0\n  Sn  Sn1  1  0.75000000  0.75000000  0.75000000  1.0\n  Sn  Sn2  1  0.50000000  0.50000000  0.50000000  1.0\n  S  S3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"S": 1.0, "Sn": 3.0}, "description": "", "elements": ["S", "Sn"], "formula": "Sn3S", "identifiers": {"materials_project_id": "mp-1187038"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.552648446718679, "energy_above_hull": 0.3167847331250009, "formation_energy_per_atom": 0.08074417554687585, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0003526, "volume": 98.37441594813426}, "record_id": "mp-1187038", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.181621923992525, "alpha": 59.99999999999999, "b": 5.181621923992525, "beta": 59.99999999999999, "c": 5.181621923992525, "gamma": 59.99999999999999, "matrix": [[0.0, 3.66396, 3.66396], [3.66396, 0.0, 3.66396], [3.66396, 3.66396, 0.0]], "pbc": [true, true, true], "volume": 98.37441594813426}, "properties": {}, "sites": [{"abc": [0.25, 0.25, 0.25], "label": "Sn", "properties": {"magmom": -0.0}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [1.83198, 1.83198, 1.83198]}, {"abc": [0.75, 0.75, 0.75], "label": "Sn", "properties": {"magmom": -0.0}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [5.49594, 5.49594, 5.49594]}, {"abc": [0.5, 0.5, 0.5], "label": "Sn", "properties": {"magmom": -0.0}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [3.66396, 3.66396, 3.66396]}, {"abc": [0.0, 0.0, 0.0], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "m-3m", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Sn3S7\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   13.34513319\n_cell_length_b   13.34513319\n_cell_length_c   16.28757632\n_cell_angle_alpha   74.30374562\n_cell_angle_beta   74.30374562\n_cell_angle_gamma   59.92902425\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Sn3S7\n_chemical_formula_sum   'Sn12 S28'\n_cell_volume   2384.74102119\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  Sn  Sn0  1  0.73462300  0.41401800  0.26118000  1.0\n  Sn  Sn1  1  0.58598200  0.26537700  0.23882000  1.0\n  Sn  Sn2  1  0.26537700  0.58598200  0.73882000  1.0\n  Sn  Sn3  1  0.41401800  0.73462300  0.76118000  1.0\n  Sn  Sn4  1  0.74724600  0.67786000  0.25924500  1.0\n  Sn  Sn5  1  0.32214000  0.25275400  0.24075500  1.0\n  Sn  Sn6  1  0.25275400  0.32214000  0.74075500  1.0\n  Sn  Sn7  1  0.67786000  0.74724600  0.75924500  1.0\n  Sn  Sn8  1  0.01077300  0.40069900  0.26152700  1.0\n  Sn  Sn9  1  0.59930100  0.98922700  0.23847300  1.0\n  Sn  Sn10  1  0.98922700  0.59930100  0.73847300  1.0\n  Sn  Sn11  1  0.40069900  0.01077300  0.76152700  1.0\n  S  S12  1  0.85465500  0.52026100  0.15487100  1.0\n  S  S13  1  0.47973900  0.14534500  0.34512900  1.0\n  S  S14  1  0.14534500  0.47973900  0.84512900  1.0\n  S  S15  1  0.52026100  0.85465500  0.65487100  1.0\n  S  S16  1  0.92906300  0.58169200  0.32182400  1.0\n  S  S17  1  0.41830800  0.07093700  0.17817600  1.0\n  S  S18  1  0.07093700  0.41830800  0.67817600  1.0\n  S  S19  1  0.58169200  0.92906300  0.82182400  1.0\n  S  S20  1  0.60931900  0.59560300  0.32394200  1.0\n  S  S21  1  0.40439700  0.39068100  0.17605800  1.0\n  S  S22  1  0.39068100  0.40439700  0.67605800  1.0\n  S  S23  1  0.59560300  0.60931900  0.82394200  1.0\n  S  S24  1  0.91491800  0.27409900  0.32248100  1.0\n  S  S25  1  0.72590100  0.08508200  0.17751900  1.0\n  S  S26  1  0.08508200  0.72590100  0.67751900  1.0\n  S  S27  1  0.27409900  0.91491800  0.82248100  1.0\n  S  S28  1  0.71117500  0.83810200  0.13541500  1.0\n  S  S29  1  0.16189800  0.28882500  0.36458500  1.0\n  S  S30  1  0.28882500  0.16189800  0.86458500  1.0\n  S  S31  1  0.83810200  0.71117500  0.63541500  1.0\n  S  S32  1  0.69073200  0.38054600  0.13699000  1.0\n  S  S33  1  0.61945400  0.30926800  0.36301000  1.0\n  S  S34  1  0.30926800  0.61945400  0.86301000  1.0\n  S  S35  1  0.38054600  0.69073200  0.63699000  1.0\n  S  S36  1  0.64732100  0.82917300  0.36207900  1.0\n  S  S37  1  0.17082700  0.35267900  0.13792100  1.0\n  S  S38  1  0.35267900  0.17082700  0.63792100  1.0\n  S  S39  1  0.82917300  0.64732100  0.86207900  1.0\n", "composition": {"S": 28.0, "Sn": 12.0}, "description": "", "elements": ["S", "Sn"], "formula": "Sn3S7", "identifiers": {"materials_project_id": "mp-1202007"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.6170880892500277, "energy_above_hull": 0.2705127966874983, "formation_energy_per_atom": -0.1560599589999981, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 8.0120332, "volume": 2384.7410211920874}, "record_id": "mp-1202007", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 13.34513319197954, "alpha": 74.30374561892599, "b": 13.34513319197954, "beta": 74.30374561892599, "c": 16.2875763219437, "gamma": 59.9290242512379, "matrix": [[6.665407, 11.561355, 0.0], [-6.665407, 11.561355, 0.0], [0.0, 5.086255, 15.473046]], "pbc": [true, true, true], "volume": 2384.7410211920874}, "properties": {}, "sites": [{"abc": [0.734623, 0.414018, 0.26118], "label": "Sn", "properties": {"magmom": -0.011}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.136962811235, 14.608274449455001, 4.04125015428]}, {"abc": [0.585982, 0.265377, 0.23882], "label": "Sn", "properties": {"magmom": -0.011}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.1369628112350005, 11.057563050545001, 3.69527284572]}, {"abc": [0.265377, 0.585982, 0.73882], "label": "Sn", "properties": {"magmom": -0.011}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-2.1369628112350005, 13.600690550545002, 11.43179584572]}, {"abc": [0.414018, 0.734623, 0.76118], "label": "Sn", "properties": {"magmom": -0.011}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-2.136962811235, 17.151401949455, 11.77777315428]}, {"abc": [0.747246, 0.67786, 0.259245], "label": "Sn", "properties": {"magmom": -0.008}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.462485930101999, 17.794742556105003, 4.01130981027]}, {"abc": [0.32214, 0.252754, 0.240755], "label": "Sn", "properties": {"magmom": -0.013}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.4624859301020001, 7.871094943895, 3.72521318973]}, {"abc": [0.252754, 0.32214, 0.740755], "label": "Sn", "properties": {"magmom": -0.008}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-0.4624859301020001, 10.414222443895, 11.46173618973]}, {"abc": [0.67786, 0.747246, 0.759245], "label": "Sn", "properties": {"magmom": -0.013}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-0.462485930101999, 20.337870056105, 11.74783281027]}, {"abc": [0.010773, 0.400699, 0.261527], "label": "Sn", "properties": {"magmom": -0.013}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-2.599015489882, 6.087366875945, 4.046619301242]}, {"abc": [0.599301, 0.989227, 0.238473], "label": "Sn", "properties": {"magmom": -0.008}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-2.5990154898819995, 19.578470624055, 3.689903698758]}, {"abc": [0.989227, 0.599301, 0.738473], "label": "Sn", "properties": {"magmom": -0.013}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.5990154898819995, 22.121598124054998, 11.426426698758]}, {"abc": [0.400699, 0.010773, 0.761527], "label": "Sn", "properties": {"magmom": -0.008}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.599015489882, 8.630494375945, 11.783142301242]}, {"abc": [0.854655, 0.520261, 0.154871], "label": "S", "properties": {"magmom": 0.206}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.2288721083580003, 16.683605369285, 2.3963261070660002]}, {"abc": [0.479739, 0.145345, 0.345129], "label": "S", "properties": {"magmom": 0.21}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.228872108358, 8.982232130715001, 5.340196892934]}, {"abc": [0.145345, 0.479739, 0.845129], "label": "S", "properties": {"magmom": 0.206}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.228872108358, 11.525359630715002, 13.076719892934001]}, {"abc": [0.520261, 0.854655, 0.654871], "label": "S", "properties": {"magmom": 0.21}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.2288721083580003, 19.226732869285, 10.132849107065999]}, {"abc": [0.929063, 0.581692, 0.321824], "label": "S", "properties": {"magmom": 0.116}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.315369094997, 19.103253802145, 4.979597555904]}, {"abc": [0.418308, 0.070937, 0.178176], "label": "S", "properties": {"magmom": 0.119}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.315369094997, 6.5625836978550005, 2.756925444096]}, {"abc": [0.070937, 0.418308, 0.678176], "label": "S", "properties": {"magmom": 0.116}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.315369094997, 9.105711197855001, 10.493448444096]}, {"abc": [0.581692, 0.929063, 0.821824], "label": "S", "properties": {"magmom": 0.119}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.315369094997, 21.646381302145002, 12.716120555904]}, {"abc": [0.609319, 0.595603, 0.323942], "label": "S", "properties": {"magmom": 0.108}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.09142272241200056, 15.57818260652, 5.012369467332]}, {"abc": [0.404397, 0.390681, 0.176058], "label": "S", "properties": {"magmom": 0.106}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.09142272241200011, 10.087654893480002, 2.7241535326679998]}, {"abc": [0.390681, 0.404397, 0.676058], "label": "S", "properties": {"magmom": 0.108}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.09142272241200011, 12.630782393480002, 10.460676532668002]}, {"abc": [0.595603, 0.609319, 0.823942], "label": "S", "properties": {"magmom": 0.106}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.09142272241200056, 18.12131010652, 12.748892467331999]}, {"abc": [0.914918, 0.274099, 0.322481], "label": "S", "properties": {"magmom": 0.112}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.271319448333, 15.38686823669, 4.989763347126]}, {"abc": [0.725901, 0.085082, 0.177519], "label": "S", "properties": {"magmom": 0.112}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.271319448333, 10.278969263310001, 2.746759652874]}, {"abc": [0.085082, 0.725901, 0.677519], "label": "S", "properties": {"magmom": 0.112}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-4.271319448333, 12.822096763310002, 10.483282652874]}, {"abc": [0.274099, 0.914918, 0.822481], "label": "S", "properties": {"magmom": 0.112}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-4.271319448333, 17.92999573669, 12.726286347126]}, {"abc": [0.711175, 0.838102, 0.135415], "label": "S", "properties": {"magmom": 0.234}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.8460201142889998, 18.600496611160004, 2.09528252409]}, {"abc": [0.161898, 0.288825, 0.364585], "label": "S", "properties": {"magmom": 0.219}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.846020114289, 7.065340888840001, 5.64124047591]}, {"abc": [0.288825, 0.161898, 0.864585], "label": "S", "properties": {"magmom": 0.234}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.846020114289, 9.608468388840002, 13.377763475910001]}, {"abc": [0.838102, 0.711175, 0.635415], "label": "S", "properties": {"magmom": 0.219}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.8460201142889998, 21.14362411116, 9.831805524089999]}, {"abc": [0.690732, 0.380546, 0.13699], "label": "S", "properties": {"magmom": 0.232}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.0675159357020005, 13.082191334140001, 2.11965257154]}, {"abc": [0.619454, 0.309268, 0.36301], "label": "S", "properties": {"magmom": 0.227}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.067515935701999, 12.583646165860001, 5.61687042846]}, {"abc": [0.309268, 0.619454, 0.86301], "label": "S", "properties": {"magmom": 0.232}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.067515935701999, 15.12677366586, 13.35339342846]}, {"abc": [0.380546, 0.690732, 0.63699], "label": "S", "properties": {"magmom": 0.227}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.0675159357020005, 15.625318834140002, 9.85617557154]}, {"abc": [0.647321, 0.829173, 0.362079], "label": "S", "properties": {"magmom": 0.246}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-1.2121175937639999, 18.911897413515003, 5.602465022634]}, {"abc": [0.170827, 0.352679, 0.137921], "label": "S", "properties": {"magmom": 0.231}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-1.2121175937640003, 6.753940086485001, 2.134057977366]}, {"abc": [0.352679, 0.170827, 0.637921], "label": "S", "properties": {"magmom": 0.246}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.2121175937640003, 9.297067586485001, 9.870580977366]}, {"abc": [0.829173, 0.647321, 0.862079], "label": "S", "properties": {"magmom": 0.231}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.2121175937639999, 21.455024913515004, 13.338988022634]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2yc", "number": 15, "point_group": "2/m", "symbol": "C2/c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Sn3S7\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   13.28788759\n_cell_length_b   13.28788759\n_cell_length_c   16.06265113\n_cell_angle_alpha   74.32474244\n_cell_angle_beta   74.32474244\n_cell_angle_gamma   59.96562051\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Sn3S7\n_chemical_formula_sum   'Sn12 S28'\n_cell_volume   2332.81917539\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  Sn  Sn0  1  0.76770200  0.44533500  0.23240100  1.0\n  Sn  Sn1  1  0.44533500  0.76770200  0.73240100  1.0\n  Sn  Sn2  1  0.50314500  0.43217500  0.23571600  1.0\n  Sn  Sn3  1  0.43217500  0.50314500  0.73571600  1.0\n  Sn  Sn4  1  0.19213000  0.58136400  0.25590700  1.0\n  Sn  Sn5  1  0.58136400  0.19213000  0.75590700  1.0\n  Sn  Sn6  1  0.78178100  0.16943300  0.23246700  1.0\n  Sn  Sn7  1  0.16943300  0.78178100  0.73246700  1.0\n  Sn  Sn8  1  0.92570400  0.85974200  0.25560100  1.0\n  Sn  Sn9  1  0.85974200  0.92570400  0.75560100  1.0\n  Sn  Sn10  1  0.91333500  0.59305200  0.25692500  1.0\n  Sn  Sn11  1  0.59305200  0.91333500  0.75692500  1.0\n  S  S12  1  0.66109800  0.32616300  0.34095400  1.0\n  S  S13  1  0.32616300  0.66109800  0.84095400  1.0\n  S  S14  1  0.10502800  0.76111800  0.32294600  1.0\n  S  S15  1  0.76111800  0.10502800  0.82294600  1.0\n  S  S16  1  0.78042500  0.78412700  0.30809100  1.0\n  S  S17  1  0.78412700  0.78042500  0.80809100  1.0\n  S  S18  1  0.09925900  0.45076600  0.31269900  1.0\n  S  S19  1  0.45076600  0.09925900  0.81269900  1.0\n  S  S20  1  0.90779700  0.26621900  0.16836000  1.0\n  S  S21  1  0.26621900  0.90779700  0.66836000  1.0\n  S  S22  1  0.34232000  0.48171600  0.36044400  1.0\n  S  S23  1  0.48171600  0.34232000  0.86044400  1.0\n  S  S24  1  0.80816200  0.47974300  0.36045400  1.0\n  S  S25  1  0.47974300  0.80816200  0.86045400  1.0\n  S  S26  1  0.59502100  0.24309300  0.18068700  1.0\n  S  S27  1  0.24309300  0.59502100  0.68068700  1.0\n  S  S28  1  0.03512500  0.70144500  0.14908600  1.0\n  S  S29  1  0.70144500  0.03512500  0.64908600  1.0\n  S  S30  1  0.58834900  0.56623700  0.16340800  1.0\n  S  S31  1  0.56623700  0.58834900  0.66340800  1.0\n  S  S32  1  0.81203900  0.01135600  0.35986500  1.0\n  S  S33  1  0.01135600  0.81203900  0.85986500  1.0\n  S  S34  1  0.90510500  0.01684900  0.12913300  1.0\n  S  S35  1  0.01684900  0.90510500  0.62913300  1.0\n  S  S36  1  0.86038700  0.57203700  0.13070400  1.0\n  S  S37  1  0.57203700  0.86038700  0.63070400  1.0\n  S  S38  1  0.35166300  0.52065300  0.13165200  1.0\n  S  S39  1  0.52065300  0.35166300  0.63165200  1.0\n", "composition": {"S": 28.0, "Sn": 12.0}, "description": "", "elements": ["S", "Sn"], "formula": "Sn3S7", "identifiers": {"materials_project_id": "mp-1203031"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 1.6530798194723293, "energy_above_hull": 0.27155452393749613, "formation_energy_per_atom": -0.15501823175000026, "is_stable": false, "ordering": "FM", "theoretical": false, "total_magnetization": 8.0138721, "volume": 2332.8191753902315}, "record_id": "mp-1203031", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 13.287887592464124, "alpha": 74.3247424407903, "b": 13.287887592464124, "beta": 74.3247424407903, "c": 16.062651131548428, "gamma": 59.96562051277877, "matrix": [[6.640491, 11.509641, 0.0], [-6.640491, 11.509641, 0.0], [0.0, 5.010397, 15.261215]], "pbc": [true, true, true], "volume": 2332.8191753902315}, "properties": {}, "sites": [{"abc": [0.767702, 0.445335, 0.232401], "label": "Sn", "properties": {"magmom": -0.01}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.140675162197, 15.126041662914002, 3.5467216272149997]}, {"abc": [0.445335, 0.767702, 0.732401], "label": "Sn", "properties": {"magmom": -0.009}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-2.140675162197, 17.631240162914, 11.177329127215]}, {"abc": [0.503145, 0.432175, 0.235716], "label": "Sn", "properties": {"magmom": -0.012}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.47127564627000007, 11.946228159372, 3.5973125549400002]}, {"abc": [0.432175, 0.503145, 0.735716], "label": "Sn", "properties": {"magmom": -0.008}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-0.47127564627000007, 14.451426659372, 11.22792005494]}, {"abc": [0.19213, 0.581364, 0.255907], "label": "Sn", "properties": {"magmom": -0.013}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-2.5847048738939997, 10.184833920733, 3.905451747005]}, {"abc": [0.581364, 0.19213, 0.755907], "label": "Sn", "properties": {"magmom": -0.008}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.5847048738939997, 12.690032420733, 11.536059247005]}, {"abc": [0.781781, 0.169433, 0.232467], "label": "Sn", "properties": {"magmom": -0.009}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [4.066291382868, 12.112883613572999, 3.547728867405]}, {"abc": [0.169433, 0.781781, 0.732467], "label": "Sn", "properties": {"magmom": -0.013}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-4.066291382868, 14.618082113573, 11.178336367405]}, {"abc": [0.925704, 0.859742, 0.255601], "label": "Sn", "properties": {"magmom": -0.009}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.4380200673419994, 21.830504968482998, 3.9007818152150002]}, {"abc": [0.859742, 0.925704, 0.755601], "label": "Sn", "properties": {"magmom": -0.013}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-0.4380200673419994, 24.335703468483, 11.531389315215]}, {"abc": [0.913335, 0.593052, 0.256925], "label": "Sn", "properties": {"magmom": -0.012}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.1268363789529996, 18.625269826292, 3.920987663875]}, {"abc": [0.593052, 0.913335, 0.756925], "label": "Sn", "properties": {"magmom": -0.011}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-2.1268363789529996, 21.130468326292, 11.551595163875]}, {"abc": [0.661098, 0.326163, 0.340954], "label": "S", "properties": {"magmom": 0.203}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.2241328530849995, 13.071334582038999, 5.20337229911]}, {"abc": [0.326163, 0.661098, 0.840954], "label": "S", "properties": {"magmom": 0.205}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.2241328530849995, 15.576533082038999, 12.833979799109999]}, {"abc": [0.105028, 0.761118, 0.322946], "label": "S", "properties": {"magmom": 0.106}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-4.356759740189999, 11.587117183147999, 4.92854833939]}, {"abc": [0.761118, 0.105028, 0.822946], "label": "S", "properties": {"magmom": 0.106}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.356759740189999, 14.092315683148, 12.55915583939]}, {"abc": [0.780425, 0.784127, 0.308091], "label": "S", "properties": {"magmom": 0.134}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.024583097682000066, 19.551090067959002, 4.701842990565]}, {"abc": [0.784127, 0.780425, 0.808091], "label": "S", "properties": {"magmom": 0.133}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.024583097682000066, 22.056288567959, 12.332450490565]}, {"abc": [0.099259, 0.450766, 0.312699], "label": "S", "properties": {"magmom": 0.12}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.334179069937, 7.897336422528, 4.772166669285]}, {"abc": [0.450766, 0.099259, 0.812699], "label": "S", "properties": {"magmom": 0.122}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.334179069937, 10.402534922528002, 12.402774169285]}, {"abc": [0.907797, 0.266219, 0.16836], "label": "S", "properties": {"magmom": 0.093}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.260392934798, 14.356053127175999, 2.5693781574]}, {"abc": [0.266219, 0.907797, 0.66836], "label": "S", "properties": {"magmom": 0.091}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-4.260392934798, 16.861251627176, 10.1999856574]}, {"abc": [0.34232, 0.481716, 0.360444], "label": "S", "properties": {"magmom": 0.208}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.9256578834359996, 11.290326067344, 5.500813379459999]}, {"abc": [0.481716, 0.34232, 0.860444], "label": "S", "properties": {"magmom": 0.22}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9256578834359996, 13.795524567344, 13.13142087946]}, {"abc": [0.808162, 0.479743, 0.360454], "label": "S", "properties": {"magmom": 0.203}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.1808634137290004, 16.629341832343002, 5.50096599161]}, {"abc": [0.479743, 0.808162, 0.860454], "label": "S", "properties": {"magmom": 0.212}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.1808634137290004, 19.134540332343, 13.13157349161]}, {"abc": [0.595021, 0.243093, 0.180687], "label": "S", "properties": {"magmom": 0.139}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.336974716648, 10.551704859813, 2.7575031547049997]}, {"abc": [0.243093, 0.595021, 0.680687], "label": "S", "properties": {"magmom": 0.15}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.336974716648, 13.056903359813, 10.388110654705]}, {"abc": [0.035125, 0.701445, 0.149086], "label": "S", "properties": {"magmom": 0.232}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-4.42469196312, 9.224636318512001, 2.27523349949]}, {"abc": [0.701445, 0.035125, 0.649086], "label": "S", "properties": {"magmom": 0.237}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.42469196312, 11.729834818512002, 9.905840999490001]}, {"abc": [0.588349, 0.566237, 0.163408], "label": "S", "properties": {"magmom": 0.095}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.14683453699200033, 14.107609316602, 2.4938046207199998]}, {"abc": [0.566237, 0.588349, 0.663408], "label": "S", "properties": {"magmom": 0.098}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.14683453699200033, 16.612807816602, 10.12441212072]}, {"abc": [0.812039, 0.011356, 0.359865], "label": "S", "properties": {"magmom": 0.245}, "species": [{"element": "S", "occu": 1.0}], "xyz": [5.316928255353, 11.280047367599998, 5.491977135975]}, {"abc": [0.011356, 0.812039, 0.859865], "label": "S", "properties": {"magmom": 0.233}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-5.316928255353, 13.785245867599999, 13.122584635975]}, {"abc": [0.905105, 0.016849, 0.129133], "label": "S", "properties": {"magmom": 0.23}, "species": [{"element": "S", "occu": 1.0}], "xyz": [5.8984559736960005, 11.258367154315001, 1.9707264765949999]}, {"abc": [0.016849, 0.905105, 0.629133], "label": "S", "properties": {"magmom": 0.216}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-5.8984559736960005, 13.763565654315002, 9.601333976595]}, {"abc": [0.860387, 0.572037, 0.130704], "label": "S", "properties": {"magmom": 0.224}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.9147855798499998, 17.141564929272, 1.9947018453599998]}, {"abc": [0.572037, 0.860387, 0.630704], "label": "S", "properties": {"magmom": 0.229}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-1.9147855798499998, 19.646763429272003, 9.62530934536]}, {"abc": [0.351663, 0.520653, 0.131652], "label": "S", "properties": {"magmom": 0.234}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-1.1221765740900005, 10.6996727844, 2.00916947718]}, {"abc": [0.520653, 0.351663, 0.631652], "label": "S", "properties": {"magmom": 0.254}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.1221765740900005, 13.204871284400001, 9.63977697718]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2yc", "number": 9, "point_group": "m", "symbol": "Cc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.74941352\n_cell_length_b   5.70754097\n_cell_length_c   6.23385223\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   107.50145393\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS\n_chemical_formula_sum   'Sn2 S2'\n_cell_volume   127.22864687\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  Sn  Sn0  1  0.84720062  0.25000000  0.69440124  1.0\n  Sn  Sn1  1  0.15279938  0.75000000  0.30559876  1.0\n  S  S2  1  0.19789208  0.25000000  0.39578415  1.0\n  S  S3  1  0.80210792  0.75000000  0.60421585  1.0\n", "composition": {"S": 2.0, "Sn": 2.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS", "identifiers": {"materials_project_id": "mp-1379"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.1315000000000004, "density": 3.93571391781239, "energy_above_hull": 0.07615808625000042, "formation_energy_per_atom": -0.39592302890624964, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 127.22864687054096}, "record_id": "mp-1379", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.749413516748178, "alpha": 90.0, "b": 5.70754097, "beta": 107.50145393325595, "c": 6.23385222977499, "gamma": 90.0, "matrix": [[3.52824599, 0.0, -1.26869301], [-0.0, 5.70754097, 0.0], [0.24758903, -0.0, 6.22893356]], "pbc": [true, true, true], "volume": 127.22864687054096}, "properties": {}, "sites": [{"abc": [0.84720062, 0.25, 0.69440124], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [3.161058319682911, 1.4268852425, 3.2505416832799483]}, {"abc": [0.15279938, 0.75, 0.30559876], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.6147767003170891, 4.2806557275, 1.709698866720052]}, {"abc": [0.19789208, 0.25, 0.39578415], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.7962037515006336, 1.4268852425, 2.2142488758207133]}, {"abc": [0.80210792, 0.75, 0.60421585], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.979631268499366, 4.2806557275, 2.7459916741792867]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.10871987\n_cell_length_b   4.10872048\n_cell_length_c   4.10871931\n_cell_angle_alpha   60.00000931\n_cell_angle_beta   60.00000441\n_cell_angle_gamma   60.00001750\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS\n_chemical_formula_sum   'Sn1 S1'\n_cell_volume   49.04612563\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  Sn  Sn0  1  0.50000000  0.50000000  0.50000000  1.0\n  S  S1  1  -0.00000000  -0.00000000  0.00000000  1.0\n", "composition": {"S": 1.0, "Sn": 1.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS", "identifiers": {"materials_project_id": "mp-1876"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.04919999999999991, "density": 5.104741198184659, "energy_above_hull": 0.0916259837499993, "formation_energy_per_atom": -0.38045513140625076, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 49.046125630315665}, "record_id": "mp-1876", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.108719867206889, "alpha": 60.00000930900821, "b": 4.108720476240093, "beta": 60.00000440561985, "c": 4.10871931, "gamma": 60.000017500970436, "matrix": [[3.55825594, -1e-08, 2.05435966], [1.18608463, 3.35475686, 2.05435966], [-0.0, -0.0, 4.10871931]], "pbc": [true, true, true], "volume": 49.046125630315665}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.372170285, 1.6773784250000001, 4.108719315]}, {"abc": [-0.0, -0.0, 0.0], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "m-3m", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.95685521\n_cell_length_b   4.53281069\n_cell_length_c   11.39201851\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   SnS\n_chemical_formula_sum   'Sn4 S4'\n_cell_volume   204.32354836\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  Sn  Sn0  1  0.25000000  0.36953984  0.62163275  1.0\n  Sn  Sn1  1  0.75000000  0.63046016  0.37836725  1.0\n  Sn  Sn2  1  0.75000000  0.86953984  0.87836725  1.0\n  Sn  Sn3  1  0.25000000  0.13046016  0.12163275  1.0\n  S  S4  1  0.25000000  0.01059680  0.34749746  1.0\n  S  S5  1  0.75000000  0.98940320  0.65250254  1.0\n  S  S6  1  0.75000000  0.51059680  0.15250254  1.0\n  S  S7  1  0.25000000  0.48940320  0.84749746  1.0\n", "composition": {"S": 4.0, "Sn": 4.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS", "identifiers": {"materials_project_id": "mp-2231"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.9047999999999998, "density": 4.901398397224073, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.47208111515625006, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 204.3235483638381}, "record_id": "mp-2231", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.95685521, "alpha": 90.0, "b": 4.53281069, "beta": 90.0, "c": 11.39201851, "gamma": 90.0, "matrix": [[3.95685521, -0.0, 0.0], [0.0, 4.53281069, 0.0], [0.0, 0.0, 11.39201851]], "pbc": [true, true, true], "volume": 204.3235483638381}, "properties": {}, "sites": [{"abc": [0.25, 0.36953984, 0.62163275], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.9892138025, 1.6750541371328895, 7.081651794422202]}, {"abc": [0.75, 0.63046016, 0.37836725], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.9676414075, 2.8577565528671105, 4.310366715577797]}, {"abc": [0.75, 0.86953984, 0.87836725], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.9676414075, 3.941459482132889, 10.006375970577798]}, {"abc": [0.25, 0.13046016, 0.12163275], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.9892138025, 0.5913512078671104, 1.3856425394222025]}, {"abc": [0.25, 0.0105968, 0.34749746], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9892138025, 0.048033288319792, 3.9586974964979844]}, {"abc": [0.75, 0.9894032, 0.65250254], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.9676414075, 4.4847774016802076, 7.433321013502015]}, {"abc": [0.75, 0.5105968, 0.15250254], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.9676414075, 2.3144386333197917, 1.7373117585020152]}, {"abc": [0.25, 0.4894032, 0.84749746], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9892138025, 2.2183720566802076, 9.654706751497985]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2ac 2n", "number": 62, "point_group": "mmm", "symbol": "Pnma", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.12347904\n_cell_length_b   4.12347765\n_cell_length_c   11.01513752\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   89.04343830\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS\n_chemical_formula_sum   'Sn2 S2'\n_cell_volume   187.26509372\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  Sn  Sn0  1  0.26268378  0.76268378  0.86686536  1.0\n  Sn  Sn1  1  0.76268378  0.26268378  0.13313464  1.0\n  S  S2  1  0.71331622  0.21331622  0.90225598  1.0\n  S  S3  1  0.21331622  0.71331622  0.09774402  1.0\n", "composition": {"S": 2.0, "Sn": 2.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS", "identifiers": {"materials_project_id": "mp-8781"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.4745, "density": 2.6739396343123216, "energy_above_hull": 0.07821957875000152, "formation_energy_per_atom": -0.39386153640624855, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 187.26509372437795}, "record_id": "mp-8781", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.1234790382179165, "alpha": 90.0, "b": 4.123477654614269, "beta": 90.0, "c": 11.01513752, "gamma": 89.04343830337766, "matrix": [[4.12300969, 0.06221314, -0.0], [0.0066266, 4.12347233, 0.0], [-0.0, -0.0, 11.01513752]], "pbc": [true, true, true], "volume": 187.26509372437795}, "properties": {}, "sites": [{"abc": [0.26268378, 0.76268378, 0.86686536], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [1.0881017706823761, 3.161247846150677, 9.548641151724308]}, {"abc": [0.76268378, 0.26268378, 0.13313464], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [3.1462933156823762, 1.1306182511506766, 1.4664963682756929]}, {"abc": [0.71331622, 0.21331622, 0.90225598], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.9424232483576236, 0.9239811725693236, 9.938473697942369]}, {"abc": [0.21331622, 0.71331622, 0.09774402], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.8842317033576238, 2.9546107675693234, 1.0766638220576303]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2b", "number": 39, "point_group": "mm2", "symbol": "Aem2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.61760810\n_cell_length_b   4.61760810\n_cell_length_c   4.61760810\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   SnS\n_chemical_formula_sum   'Sn1 S1'\n_cell_volume   69.62035216\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  Sn  Sn0  1  0.00000000  0.00000000  0.00000000  1.0\n  S  S1  1  0.25000000  0.25000000  0.25000000  1.0\n", "composition": {"S": 1.0, "Sn": 1.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS", "identifiers": {"materials_project_id": "mp-10013"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.1654, "density": 3.5961866086632823, "energy_above_hull": 0.27838637125000076, "formation_energy_per_atom": -0.1936947439062493, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0002162, "volume": 69.62035215671848}, "record_id": "mp-10013", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.617608099474013, "alpha": 60.00000000000001, "b": 4.617608099474013, "beta": 60.00000000000001, "c": 4.617608099474013, "gamma": 60.00000000000001, "matrix": [[0.0, 3.265142, 3.265142], [3.265142, 0.0, 3.265142], [3.265142, 3.265142, 0.0]], "pbc": [true, true, true], "volume": 69.62035215671848}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Sn", "properties": {"magmom": -0.0}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.25, 0.25, 0.25], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.632571, 1.632571, 1.632571]}], "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_SnS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.13244806\n_cell_length_b   4.13244759\n_cell_length_c   22.42882656\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   91.16367346\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS\n_chemical_formula_sum   'Sn2 S2'\n_cell_volume   382.94088206\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  Sn  Sn0  1  0.75846015  0.74153985  0.43490996  1.0\n  Sn  Sn1  1  0.25846015  0.24153985  0.56509004  1.0\n  S  S2  1  0.20753985  0.29246015  0.45176945  1.0\n  S  S3  1  0.70753985  0.79246015  0.54823055  1.0\n", "composition": {"S": 2.0, "Sn": 2.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS", "identifiers": {"materials_project_id": "mp-554134"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.5872, "density": 1.3076053764140354, "energy_above_hull": 0.07869257624999904, "formation_energy_per_atom": -0.39338853890625103, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 382.94088206186353}, "record_id": "mp-554134", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.132448062456892, "alpha": 90.0, "b": 4.132447593693177, "beta": 90.0, "c": 22.42882656, "gamma": 91.16367345520129, "matrix": [[4.13241318, -0.01697936, 0.0], [-0.0669474, 4.13190527, -0.0], [0.0, -0.0, 22.42882656]], "pbc": [true, true, true], "volume": 382.94088206186353}, "properties": {}, "sites": [{"abc": [0.75846015, 0.74153985, 0.43490996], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [3.084626555410887, 3.0510942461975055, 9.754520062056537]}, {"abc": [0.25846015, 0.24153985, 0.56509004], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [1.051893665410887, 0.9936312911975055, 12.674306497943462]}, {"abc": [0.20753985, 0.29246015, 0.45176945], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.8380609648691131, 1.2048937412224945, 10.132658639156594]}, {"abc": [0.70753985, 0.79246015, 0.54823055], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8707938548691128, 3.262356696222495, 12.296167920843407]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2b", "number": 39, "point_group": "mm2", "symbol": "Aem2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.09043972\n_cell_length_b   4.09032326\n_cell_length_c   6.24265500\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   109.12437636\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS\n_chemical_formula_sum   'Sn2 S2'\n_cell_volume   98.68275515\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  Sn  Sn0  1  0.87178316  0.25000000  0.74356532  1.0\n  Sn  Sn1  1  0.12821684  0.75000000  0.25643468  1.0\n  S  S2  1  0.65387600  0.25000000  0.30775000  1.0\n  S  S3  1  0.34612400  0.75000000  0.69225000  1.0\n", "composition": {"S": 2.0, "Sn": 2.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS", "identifiers": {"materials_project_id": "mp-559676"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.31130000000000013, "density": 5.074195136268394, "energy_above_hull": 0.028504053749998093, "formation_energy_per_atom": -0.44357706140625197, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 98.68275515337609}, "record_id": "mp-559676", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.090439717411725, "alpha": 90.0, "b": 4.09032326, "beta": 109.124376361857, "c": 6.242655002894941, "gamma": 90.0, "matrix": [[3.84701745, 0.0, -1.39001936], [-0.0, 4.09032326, -0.0], [0.08080118, -0.0, 6.24213206]], "pbc": [true, true, true], "volume": 98.68275515337609}, "properties": {}, "sites": [{"abc": [0.87178316, 0.25, 0.74356532], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [3.4138459843992197, 1.022580815, 3.429637452554182]}, {"abc": [0.12821684, 0.75, 0.25643468], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.5139726456007804, 3.067742445, 1.4224752474458187]}, {"abc": [0.653876, 0.25, 0.30775], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.5403389452811997, 1.022580815, 1.0121158424256402]}, {"abc": [0.346124, 0.75, 0.69225], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.3874796847187998, 3.067742445, 3.839996857574361]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.08662758\n_cell_length_b   4.08916110\n_cell_length_c   10.95624501\n_cell_angle_alpha   98.06629781\n_cell_angle_beta   90.65620060\n_cell_angle_gamma   89.99108584\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS\n_chemical_formula_sum   'Sn2 S2'\n_cell_volume   181.26498554\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  Sn  Sn0  1  0.74229024  0.69623983  0.36562182  1.0\n  Sn  Sn1  1  0.25770976  0.30376017  0.63437818  1.0\n  S  S2  1  0.75308840  0.78764570  0.60038195  1.0\n  S  S3  1  0.24691160  0.21235430  0.39961805  1.0\n", "composition": {"S": 2.0, "Sn": 2.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS", "identifiers": {"materials_project_id": "mp-727322"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.4319000000000002, "density": 2.7624505347837496, "energy_above_hull": 0.08517406874999978, "formation_energy_per_atom": -0.3869070464062503, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 181.2649855364829}, "record_id": "mp-727322", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.086627577860525, "alpha": 98.06629781010359, "b": 4.089161097715398, "beta": 90.65620059537933, "c": 10.956245014190124, "gamma": 89.99108583944368, "matrix": [[4.0866275, 0.00058653, -0.0005407], [4.918e-05, 4.08916099, -0.00093729], [-0.12382209, -1.53487999, 10.84749355]], "pbc": [true, true, true], "volume": 181.26498553648292}, "properties": {}, "sites": [{"abc": [0.74229024, 0.69623983, 0.36562182], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [2.9882258909384354, 2.286286512589317, 3.965026399226232]}, {"abc": [0.25770976, 0.30376017, 0.63437818], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.9746286990615645, 0.26858101741068285, 6.880989160773767]}, {"abc": [0.7530884, 0.7876457, 0.60038195], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.0032899539392504, 2.2997375379083143, 6.511493882825389]}, {"abc": [0.2469116, 0.2123543, 0.39961805], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9595646360607496, 0.2551299920916854, 4.33452167717461]}], "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_SnS2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.67430564\n_cell_length_b   3.67430556\n_cell_length_c   6.22883184\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000989\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS2\n_chemical_formula_sum   'Sn1 S2'\n_cell_volume   72.82621590\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  Sn  Sn0  1  0.00000000  -0.00000000  0.00000000  1.0\n  S  S1  1  0.33333300  0.66666700  0.23465347  1.0\n  S  S2  1  0.66666700  0.33333300  0.76534653  1.0\n", "composition": {"S": 2.0, "Sn": 1.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS2", "identifiers": {"materials_project_id": "mp-1170"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.5565000000000002, "density": 4.169006443919932, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.4739697285416658, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 72.82621589710445}, "record_id": "mp-1170", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.67430564, "alpha": 90.0, "b": 3.6743055611399518, "beta": 90.0, "c": 6.22883184, "gamma": 120.00000989302579, "matrix": [[3.67430564, -0.0, 0.0], [-1.83715333, 3.18204164, 0.0], [0.0, -0.0, 6.22883184]], "pbc": [true, true, true], "volume": 72.82621589710445}, "properties": {}, "sites": [{"abc": [0.0, -0.0, 0.0], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.333333, 0.666667, 0.23465347], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-2.177152990112674e-06, 2.12136215401388, 1.4616170053024848]}, {"abc": [0.666667, 0.333333, 0.76534653], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.83715448715299, 1.06067948598612, 4.767214834697515]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-P 3 2\"", "number": 164, "point_group": "-3m", "symbol": "P-3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.67584724\n_cell_length_b   3.67584652\n_cell_length_c   12.33894862\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000647\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS2\n_chemical_formula_sum   'Sn2 S4'\n_cell_volume   144.38550088\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  Sn  Sn0  1  0.33333300  0.66666700  0.62501007  1.0\n  Sn  Sn1  1  0.66666700  0.33333300  0.12501007  1.0\n  S  S2  1  0.66666700  0.33333300  0.74340412  1.0\n  S  S3  1  0.33333300  0.66666700  0.24340412  1.0\n  S  S4  1  -0.00000000  -0.00000000  0.00658781  1.0\n  S  S5  1  -0.00000000  0.00000000  0.50658781  1.0\n", "composition": {"S": 4.0, "Sn": 2.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS2", "identifiers": {"materials_project_id": "mp-9984"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.4856999999999996, "density": 4.205587978096059, "energy_above_hull": 0.00030166500000028407, "formation_energy_per_atom": -0.47366806354166613, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 144.38550088246328}, "record_id": "mp-9984", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.67584724, "alpha": 90.0, "b": 3.6758465209643196, "beta": 90.0, "c": 12.33894862, "gamma": 120.00000647075701, "matrix": [[3.67584724, -0.0, -0.0], [-1.83792362, 3.18337626, 0.0], [0.0, 0.0, 12.33894862]], "pbc": [true, true, true], "volume": 144.38550088246328}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.62501007], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [-1.8379236199628224e-06, 2.12225190112542, 7.711967140712603]}, {"abc": [0.666667, 0.333333, 0.12501007], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [1.83792545792362, 1.06112435887458, 1.5424928307126033]}, {"abc": [0.666667, 0.333333, 0.74340412], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.83792545792362, 1.06112435887458, 9.172825240576314]}, {"abc": [0.333333, 0.666667, 0.24340412], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-1.8379236199628224e-06, 2.12225190112542, 3.0033509305763144]}, {"abc": [-0.0, -0.0, 0.00658781], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0812866491083222]}, {"abc": [-0.0, 0.0, 0.50658781], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 0.0, 6.250760959108322]}], "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_SnS2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.92649799\n_cell_length_b   5.92649610\n_cell_length_c   6.45606538\n_cell_angle_alpha   117.32175879\n_cell_angle_beta   117.32173953\n_cell_angle_gamma   89.99999135\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SnS2\n_chemical_formula_sum   'Sn2 S4'\n_cell_volume   172.49504896\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  Sn  Sn0  1  0.25000000  0.75000000  0.50000000  1.0\n  Sn  Sn1  1  0.00000000  0.00000000  0.00000000  1.0\n  S  S2  1  0.88026200  0.87500000  0.25000000  1.0\n  S  S3  1  0.62500000  0.11973800  0.75000000  1.0\n  S  S4  1  0.36973800  0.37500000  0.25000000  1.0\n  S  S5  1  0.12500000  0.63026200  0.75000000  1.0\n", "composition": {"S": 4.0, "Sn": 2.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS2", "identifiers": {"materials_project_id": "mp-1002063"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.8791000000000002, "density": 3.520251337068924, "energy_above_hull": 0.07665884333333395, "formation_energy_per_atom": -0.39731088520833185, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 1.6e-06, "volume": 172.4950489553003}, "record_id": "mp-1002063", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.926497994453385, "alpha": 117.32175879039612, "b": 5.926496104876978, "beta": 117.32173953450891, "c": 6.456065380895937, "gamma": 89.99999135154512, "matrix": [[5.394746, 0.0, -2.453588], [-1.115917, 5.278067, -2.453588], [-0.328653, -0.405405, 6.434937]], "pbc": [true, true, true], "volume": 172.4950489553003}, "properties": {}, "sites": [{"abc": [0.25, 0.75, 0.5], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.3474222499999999, 3.75584775, 0.7638805]}, {"abc": [0.0, 0.0, 0.0], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.880262, 0.875, 0.25], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.690199278452, 4.5169573750000005, -2.697955530056]}, {"abc": [0.625, 0.119738, 0.75], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.9916088302539996, 0.327931436446, 2.9989225300560003]}, {"abc": [0.369738, 0.375, 0.25], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.4940104715479998, 1.877923875, -0.218545969944]}, {"abc": [0.125, 0.630262, 0.75], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.27546658025400006, 3.022511313554, 2.9731009699440003]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "I -4 2bw", "number": 122, "point_group": "-42m", "symbol": "I-42d", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SnS2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.37624626\n_cell_length_b   7.37624626\n_cell_length_c   7.37624626\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   SnS2\n_chemical_formula_sum   'Sn4 S8'\n_cell_volume   283.78616849\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  Sn  Sn0  1  0.12500000  0.62500000  0.62500000  1.0\n  Sn  Sn1  1  0.62500000  0.12500000  0.62500000  1.0\n  Sn  Sn2  1  0.62500000  0.62500000  0.12500000  1.0\n  Sn  Sn3  1  0.62500000  0.62500000  0.62500000  1.0\n  S  S4  1  0.86603667  0.37798778  0.37798778  1.0\n  S  S5  1  0.37798778  0.86603667  0.37798778  1.0\n  S  S6  1  0.37798778  0.37798778  0.86603667  1.0\n  S  S7  1  0.37798778  0.37798778  0.37798778  1.0\n  S  S8  1  0.38396333  0.87201222  0.87201222  1.0\n  S  S9  1  0.87201222  0.38396333  0.87201222  1.0\n  S  S10  1  0.87201222  0.87201222  0.38396333  1.0\n  S  S11  1  0.87201222  0.87201222  0.87201222  1.0\n", "composition": {"S": 8.0, "Sn": 4.0}, "description": "", "elements": ["S", "Sn"], "formula": "SnS2", "identifiers": {"materials_project_id": "mp-1095397"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.2026, "density": 4.279461046048719, "energy_above_hull": 0.0032224066666692863, "formation_energy_per_atom": -0.47074732187499774, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 283.7861684864849}, "record_id": "mp-1095397", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.376246259790824, "alpha": 59.99999999999999, "b": 7.376246259790824, "beta": 59.99999999999999, "c": 7.376246259790824, "gamma": 59.99999999999999, "matrix": [[0.0, 5.21579375, 5.21579375], [5.21579375, -0.0, 5.21579375], [5.21579375, 5.21579375, 0.0]], "pbc": [true, true, true], "volume": 283.7861684864849}, "properties": {}, "sites": [{"abc": [0.125, 0.625, 0.625], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [6.5197421874999995, 3.9118453124999997, 3.9118453124999997]}, {"abc": [0.625, 0.125, 0.625], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [3.9118453124999997, 6.5197421874999995, 3.9118453124999997]}, {"abc": [0.625, 0.625, 0.125], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [3.9118453124999997, 3.9118453124999997, 6.5197421874999995]}, {"abc": [0.625, 0.625, 0.625], "label": "Sn", "properties": {}, "species": [{"element": "Sn", "occu": 1.0}], "xyz": [6.5197421874999995, 6.5197421874999995, 6.5197421874999995]}, {"abc": [0.86603667, 0.37798778, 0.37798778], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.9430126010007496, 6.488574951157187, 6.488574951157187]}, {"abc": [0.37798778, 0.86603667, 0.37798778], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.488574951157187, 3.9430126010007496, 6.488574951157187]}, {"abc": [0.37798778, 0.37798778, 0.86603667], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.488574951157187, 6.488574951157187, 3.9430126010007496]}, {"abc": [0.37798778, 0.37798778, 0.37798778], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.9430126010007496, 3.9430126010007496, 3.9430126010007496]}, {"abc": [0.38396333, 0.87201222, 0.87201222], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [9.09647177399925, 6.550909423842812, 6.550909423842812]}, {"abc": [0.87201222, 0.38396333, 0.87201222], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.550909423842812, 9.09647177399925, 6.550909423842812]}, {"abc": [0.87201222, 0.87201222, 0.38396333], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.550909423842812, 6.550909423842812, 9.09647177399925]}, {"abc": [0.87201222, 0.87201222, 0.87201222], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [9.09647177399925, 9.09647177399925, 9.09647177399925]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F 4d 2 3 -1d", "number": 227, "point_group": "m-3m", "symbol": "Fd-3m", "symprec": 0.1, "version": "2.7.0"}}}