raw/materials_project/materials_project-part-156.jsonl

{"cif": "# generated using pymatgen\ndata_Sb11S18\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.86175400\n_cell_length_b   7.73274479\n_cell_length_c   15.42589276\n_cell_angle_alpha   75.77083803\n_cell_angle_beta   81.20405580\n_cell_angle_gamma   73.48922088\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Sb11S18\n_chemical_formula_sum   'Sb11 S18'\n_cell_volume   757.63098587\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  Sb  Sb0  1  0.28475700  0.21554300  0.92230200  1.0\n  Sb  Sb1  1  0.14699700  0.86679900  0.19659900  1.0\n  Sb  Sb2  1  0.52515700  0.57636400  0.60999300  1.0\n  Sb  Sb3  1  0.48337700  0.93358300  0.38622100  1.0\n  Sb  Sb4  1  0.28262700  0.71768100  0.92075300  1.0\n  Sb  Sb5  1  0.71493200  0.29124700  0.06777600  1.0\n  Sb  Sb6  1  0.15242100  0.36622100  0.19315700  1.0\n  Sb  Sb7  1  0.52293200  0.05606800  0.60894400  1.0\n  Sb  Sb8  1  0.49380800  0.42683000  0.39306300  1.0\n  Sb  Sb9  1  0.88818200  0.12535100  0.80126800  1.0\n  Sb  Sb10  1  0.72161700  0.78625000  0.06449300  1.0\n  S  S11  1  0.98486200  0.99746400  0.00262700  1.0\n  S  S12  1  0.14025500  0.31780500  0.77413500  1.0\n  S  S13  1  0.53371700  0.42206900  0.87653900  1.0\n  S  S14  1  0.19806400  0.77392100  0.35859200  1.0\n  S  S15  1  0.71778900  0.58693000  0.46046300  1.0\n  S  S16  1  0.97775600  0.50833100  0.00515200  1.0\n  S  S17  1  0.14167700  0.83267100  0.77276200  1.0\n  S  S18  1  0.28606400  0.91095200  0.53825100  1.0\n  S  S19  1  0.75473200  0.73631600  0.65649100  1.0\n  S  S20  1  0.44216700  0.08287600  0.12797700  1.0\n  S  S21  1  0.54853200  0.91815500  0.88774800  1.0\n  S  S22  1  0.20028700  0.26649700  0.35646700  1.0\n  S  S23  1  0.71776300  0.09147700  0.45962600  1.0\n  S  S24  1  0.86683500  0.17612300  0.22175400  1.0\n  S  S25  1  0.27988000  0.41073800  0.53704700  1.0\n  S  S26  1  0.79936100  0.22798100  0.64197300  1.0\n  S  S27  1  0.44532900  0.57516900  0.12636400  1.0\n  S  S28  1  0.87116500  0.67628800  0.22337600  1.0\n", "composition": {"S": 18.0, "Sb": 11.0}, "description": "", "elements": ["S", "Sb"], "formula": "Sb11S18", "identifiers": {"materials_project_id": "mp-753921"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.200558056753435, "energy_above_hull": 0.0599534741056047, "formation_energy_per_atom": -0.21243215322737075, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0033078, "volume": 757.6309858735641}, "record_id": "mp-753921", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.861754, "alpha": 75.77083803467671, "b": 7.732744788805202, "beta": 81.20405579809443, "c": 15.425892764455515, "gamma": 73.48922088045849, "matrix": [[6.861754, 0.0, 0.0], [2.197613, 7.413895, 0.0], [2.358864, 3.255556, 14.892793]], "pbc": [true, true, true], "volume": 757.6309858735641}, "properties": {}, "sites": [{"abc": [0.284757, 0.215543, 0.922302], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [4.603197567564999, 4.600618979897, 13.735652769485998]}, {"abc": [0.146997, 0.866799, 0.196599], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [3.377296307061, 7.066395826149, 2.927908211007]}, {"abc": [0.525157, 0.576364, 0.609993], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [6.309013692462, 6.258968548888, 9.084499480448999]}, {"abc": [0.483377, 0.933583, 0.386221], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [6.279511013581001, 8.178850429661, 5.7519094052529995]}, {"abc": [0.282627, 0.717681, 0.920753], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [5.688433147803, 8.318374531163, 13.712583833129]}, {"abc": [0.714932, 0.291247, 0.067776], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [5.705610070603001, 2.379923240521, 1.009373938368]}, {"abc": [0.152421, 0.366221, 0.193157], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.306318530555, 3.343957471087, 2.8766472175009996]}, {"abc": [0.522932, 0.056068, 0.608944], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [5.147862588028, 2.398133557724, 9.068876940592]}, {"abc": [0.493808, 0.42683, 0.393063], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [5.253578336454001, 4.4441114108779995, 5.853805894959]}, {"abc": [0.888182, 0.125351, 0.801268], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [8.260041617943, 3.5379119971529995, 11.933118461524]}, {"abc": [0.721617, 0.78625, 0.064493], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [6.83156177342, 6.039135516858, 0.9604808989489999]}, {"abc": [0.984862, 0.997464, 0.002627], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [8.956117357108, 7.403645707892, 0.039123367211]}, {"abc": [0.140255, 0.317805, 0.774135], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.486886889375, 4.876412744535, 11.529032309055]}, {"abc": [0.533717, 0.422069, 0.876539], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.657415372611, 5.982797049439, 13.054113883426998]}, {"abc": [0.198064, 0.773921, 0.358592], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.905715054317, 6.905185369447, 5.340436427456]}, {"abc": [0.717789, 0.58693, 0.460463], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [7.301306134028001, 5.850500474777999, 6.857580143159]}, {"abc": [0.977756, 0.508331, 0.005152], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [7.8383888252550005, 3.7854852837569997, 0.076727669536]}, {"abc": [0.141677, 0.832671, 0.772762], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.6248817981490005, 8.689105329217, 11.508584504265999]}, {"abc": [0.286064, 0.910952, 0.538251], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [5.234481660696, 8.506008750596001, 8.016060725043]}, {"abc": [0.754732, 0.736316, 0.656491], "label": "S", "properties": {"magmom": 0.001}, "species": [{"element": "S", "occu": 1.0}], "xyz": [8.34549591986, 7.5962127248160005, 9.776984569363]}, {"abc": [0.442167, 0.082876, 0.127977], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.518050894034, 1.0310702522319999, 1.905934969761]}, {"abc": [0.548532, 0.918155, 0.887748], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [7.8757178074150005, 9.697218091613, 13.221047200164]}, {"abc": [0.200287, 0.266497, 0.356467], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8008345685469997, 3.136279056467, 5.308789242331]}, {"abc": [0.717763, 0.091477, 0.459626], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.210339405567, 2.174539054971, 6.845114875417999]}, {"abc": [0.866835, 0.176123, 0.221754], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.858146250445001, 2.027689994309, 3.302536418922]}, {"abc": [0.27988, 0.410738, 0.537047], "label": "S", "properties": {"magmom": 0.001}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.0899317125220005, 4.7935549876420005, 7.998129802271]}, {"abc": [0.799361, 0.227981, 0.641973], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [7.5003595472189994, 3.780206247983, 9.560771000589]}, {"abc": [0.445329, 0.575169, 0.126364], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.617812409159, 4.675627651639, 1.881912894652]}, {"abc": [0.871165, 0.676288, 0.223376], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [7.990852828818, 5.741141298816, 3.3266925291679996]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "P 1", "number": 1, "point_group": "1", "symbol": "P1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Sb17S27\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.77609500\n_cell_length_b   8.79109864\n_cell_length_c   15.38668102\n_cell_angle_alpha   103.69268788\n_cell_angle_beta   95.38762489\n_cell_angle_gamma   96.58438630\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Sb17S27\n_chemical_formula_sum   'Sb17 S27'\n_cell_volume   1136.71496349\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  Sb  Sb0  1  0.61918200  0.33642400  0.92235400  1.0\n  Sb  Sb1  1  0.12129700  0.59735500  0.61192100  1.0\n  Sb  Sb2  1  0.87937900  0.00864600  0.80143500  1.0\n  Sb  Sb3  1  0.54428800  0.05404500  0.39119400  1.0\n  Sb  Sb4  1  0.05241600  0.32931300  0.06593000  1.0\n  Sb  Sb5  1  0.80807200  0.28287700  0.61155400  1.0\n  Sb  Sb6  1  0.28048900  0.99778700  0.92250500  1.0\n  Sb  Sb7  1  0.52663300  0.65797400  0.80135700  1.0\n  Sb  Sb8  1  0.47389300  0.32097600  0.19404400  1.0\n  Sb  Sb9  1  0.71190300  0.99955600  0.06906600  1.0\n  Sb  Sb10  1  0.21281900  0.71887500  0.39204000  1.0\n  Sb  Sb11  1  0.95481300  0.66619800  0.92952000  1.0\n  Sb  Sb12  1  0.44940300  0.95287500  0.60813500  1.0\n  Sb  Sb13  1  0.13967600  0.99407400  0.19627200  1.0\n  Sb  Sb14  1  0.87556200  0.38553200  0.38851500  1.0\n  Sb  Sb15  1  0.38076900  0.65786800  0.06612600  1.0\n  Sb  Sb16  1  0.80262700  0.65685500  0.19693800  1.0\n  S  S17  1  0.15529000  0.01608200  0.77434300  1.0\n  S  S18  1  0.09688200  0.33414500  0.65050600  1.0\n  S  S19  1  0.22009400  0.01804500  0.35545800  1.0\n  S  S20  1  0.56267900  0.02318200  0.87560100  1.0\n  S  S21  1  0.17126900  0.30455900  0.22267500  1.0\n  S  S22  1  0.18008000  0.46487300  0.46032700  1.0\n  S  S23  1  0.48194500  0.20006800  0.53803800  1.0\n  S  S24  1  0.50310400  0.36532600  0.77449200  1.0\n  S  S25  1  0.23708200  0.69036700  0.88287000  1.0\n  S  S26  1  0.09810400  0.64740300  0.12196800  1.0\n  S  S27  1  0.84326000  0.12801800  0.45985800  1.0\n  S  S28  1  0.43852300  0.64201400  0.64278700  1.0\n  S  S29  1  0.55612600  0.35000400  0.35698700  1.0\n  S  S30  1  0.15778300  0.87607700  0.53771600  1.0\n  S  S31  1  0.89972300  0.35431300  0.88197300  1.0\n  S  S32  1  0.32365800  0.34614200  0.00553300  1.0\n  S  S33  1  0.76145600  0.31683800  0.12799100  1.0\n  S  S34  1  0.50716700  0.63880800  0.22368700  1.0\n  S  S35  1  0.51328700  0.79596200  0.46396500  1.0\n  S  S36  1  0.81920300  0.53677400  0.53672900  1.0\n  S  S37  1  0.82670300  0.69469000  0.77585900  1.0\n  S  S38  1  0.43224700  0.98672000  0.12720300  1.0\n  S  S39  1  0.78653000  0.98932300  0.64281300  1.0\n  S  S40  1  0.88795700  0.68367900  0.35772600  1.0\n  S  S41  1  0.66593700  0.67189800  0.00143400  1.0\n  S  S42  1  0.83821900  0.97214000  0.22244800  1.0\n  S  S43  1  0.99514400  0.00163600  0.00092700  1.0\n", "composition": {"S": 27.0, "Sb": 17.0}, "description": "", "elements": ["S", "Sb"], "formula": "Sb17S27", "identifiers": {"materials_project_id": "mp-767208"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.288500800736766, "energy_above_hull": 0.05151980196732886, "formation_energy_per_atom": -0.22593084736150681, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.4991751, "volume": 1136.714963493589}, "record_id": "mp-767208", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.776095, "alpha": 103.69268788341334, "b": 8.791098644464466, "beta": 95.38762489236288, "c": 15.386681018285556, "gamma": 96.58438629607973, "matrix": [[8.776095, 0.0, 0.0], [-1.008044, 8.733113, 0.0], [-1.444706, -3.833188, 14.831367]], "pbc": [true, true, true], "volume": 1136.714963493589}, "properties": {}, "sites": [{"abc": [0.619182, 0.336424, 0.922354], "label": "Sb", "properties": {"magmom": 0.003}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [3.7623395017100005, -0.5975274766400003, 13.679770677918]}, {"abc": [0.121297, 0.597355, 0.611921], "label": "Sb", "properties": {"magmom": 0.008}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [-0.42169206863100006, 2.8711604819669994, 9.075624926007]}, {"abc": [0.879379, 0.008646, 0.801435], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [6.550960143471, -2.996544529782, 11.886376611645]}, {"abc": [0.544288, 0.054045, 0.391194], "label": "Sb", "properties": {"magmom": 0.005}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [4.157083138416, -1.0275390543869998, 5.801941782198]}, {"abc": [0.052416, 0.329313, 0.06593], "label": "Sb", "properties": {"magmom": 0.002}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.03279633516799994, 2.6232055565290002, 0.9778320263100001]}, {"abc": [0.808072, 0.282877, 0.611554], "label": "Sb", "properties": {"magmom": 0.021}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [5.923048443128, 0.12619535194899978, 9.070181814318001]}, {"abc": [0.280489, 0.997787, 0.922505], "label": "Sb", "properties": {"magmom": 0.001}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.12303640329699972, 5.177651524991, 13.682010214335001]}, {"abc": [0.526633, 0.657974, 0.801357], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.800789229237, 2.6744092569459994, 11.885219765019]}, {"abc": [0.473893, 0.320976, 0.194044], "label": "Sb", "properties": {"magmom": 0.002}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [3.555035525827, 2.059312546016, 2.877937778148]}, {"abc": [0.711903, 0.999556, 0.069066], "label": "Sb", "properties": {"magmom": 0.002}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [5.140351865725, 8.46449253542, 1.024343193222]}, {"abc": [0.212819, 0.718875, 0.39204], "label": "Sb", "properties": {"magmom": 0.004}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.5766795910650002, 4.775253584355, 5.81448911868]}, {"abc": [0.954813, 0.666198, 0.92952], "label": "Sb", "properties": {"magmom": 0.001}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [6.365089577403001, 2.254957504613999, 13.786052253840001]}, {"abc": [0.449403, 0.952875, 0.608135], "label": "Sb", "properties": {"magmom": 0.001}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.1048872114749995, 5.990469265494999, 9.019473370545]}, {"abc": [0.139676, 0.994074, 0.196272], "label": "Sb", "properties": {"magmom": 0.004}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [-0.05981582206800007, 7.929013097225999, 2.910982063824]}, {"abc": [0.875562, 0.385532, 0.388515], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [6.734092119392, 1.8776434852959996, 5.762208550005]}, {"abc": [0.380769, 0.657868, 0.066126], "label": "Sb", "properties": {"magmom": 0.001}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.582972397907, 5.491762193396, 0.9807389742420001]}, {"abc": [0.802627, 0.656855, 0.196938], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [6.097274549717, 4.981488561270999, 2.920859754246]}, {"abc": [0.15529, 0.016082, 0.774343], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.2279304507840001, -2.827756372218, 11.484565216881]}, {"abc": [0.096882, 0.334145, 0.650506], "label": "S", "properties": {"magmom": 0.08}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.4263771478260001, 0.42461425025700006, 9.647893221702]}, {"abc": [0.220094, 0.018045, 0.355458], "label": "S", "properties": {"magmom": 0.014}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.399843393602, -1.204948316019, 5.271928051086]}, {"abc": [0.562679, 0.023182, 0.875601], "label": "S", "properties": {"magmom": 0.005}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.6497698641910006, -3.1538922204219997, 12.986359776567]}, {"abc": [0.171269, 0.304559, 0.222675], "label": "S", "properties": {"magmom": 0.002}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.8743642334089998, 1.806193024267, 3.302574646725]}, {"abc": [0.18008, 0.464873, 0.460327], "label": "S", "properties": {"magmom": 0.015}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.44674957032600005, 2.2952685071729992, 6.827278677009]}, {"abc": [0.481945, 0.200068, 0.538038], "label": "S", "properties": {"magmom": 0.033}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.2506110309550005, -0.3151843534600003, 7.979839037946]}, {"abc": [0.503104, 0.365326, 0.774492], "label": "S", "properties": {"magmom": 0.002}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.928110577184, 0.22165979934199997, 11.486775090563999]}, {"abc": [0.237082, 0.690367, 0.88287], "label": "S", "properties": {"magmom": 0.003}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.10924625642199981, 2.6448463329109995, 13.09416898329]}, {"abc": [0.098104, 0.647403, 0.121968], "label": "S", "properties": {"magmom": 0.001}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.032151412740000135, 5.186317281554999, 1.8089521702559999]}, {"abc": [0.84326, 0.128018, 0.459858], "label": "S", "properties": {"magmom": 0.016}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.607122481159999, -0.6447265072699999, 6.820322765886]}, {"abc": [0.438523, 0.642014, 0.642787], "label": "S", "properties": {"magmom": 0.008}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.272702911447, 3.1428573946259992, 9.533409899829]}, {"abc": [0.556126, 0.350004, 0.356987], "label": "S", "properties": {"magmom": 0.005}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.012053914972, 1.6882261978959996, 5.294605211229]}, {"abc": [0.157783, 0.876077, 0.537716], "label": "S", "properties": {"magmom": 0.02}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-0.2752470974989999, 5.5897129190929995, 7.975063337771999]}, {"abc": [0.899723, 0.354313, 0.881973], "label": "S", "properties": {"magmom": 0.003}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.264699742975001, -0.2865128535550001, 13.080865247091]}, {"abc": [0.323658, 0.346142, 0.005533], "label": "S", "properties": {"magmom": 0.003}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.4835334309639996, 3.001688170842, 0.082061953611]}, {"abc": [0.761456, 0.316838, 0.127991], "label": "S", "properties": {"magmom": 0.004}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.178314183802, 2.276368491386, 1.8982814936969998]}, {"abc": [0.507167, 0.638808, 0.223687], "label": "S", "properties": {"magmom": 0.001}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.483837250291, 4.721348125147999, 3.317583990129]}, {"abc": [0.513287, 0.795962, 0.463965], "label": "S", "properties": {"magmom": 0.007}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.031997736647, 5.172761019285999, 6.881235190155]}, {"abc": [0.819203, 0.536774, 0.536729], "label": "S", "properties": {"magmom": 0.016}, "species": [{"element": "S", "occu": 1.0}], "xyz": [5.872895935555, 2.6303248354099997, 7.9604247785430005]}, {"abc": [0.826703, 0.69469, 0.775859], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [5.434057825970999, 3.0927928614780003, 11.507049569252999]}, {"abc": [0.432247, 0.98672, 0.127203], "label": "S", "properties": {"magmom": 0.003}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.615012622467, 8.129544246196, 1.8865943765010003]}, {"abc": [0.78653, 0.989323, 0.642813], "label": "S", "properties": {"magmom": 0.016}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.976705088159999, 6.175846474654999, 9.533795515370999]}, {"abc": [0.887957, 0.683679, 0.357726], "label": "S", "properties": {"magmom": 0.003}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.5868075754829984, 4.599414952239, 5.305565591442]}, {"abc": [0.665937, 0.671898, 0.001434], "label": "S", "properties": {"magmom": 0.001}, "species": [{"element": "S", "occu": 1.0}], "xyz": [5.164951920099, 5.862264366882, 0.021268180278]}, {"abc": [0.838219, 0.97214, 0.222448], "label": "S", "properties": {"magmom": 0.001}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.054957720357, 7.637123467596, 3.2992079264160004]}, {"abc": [0.995144, 0.001636, 0.000927], "label": "S", "properties": {"magmom": 0.002}, "species": [{"element": "S", "occu": 1.0}], "xyz": [8.730489880234, 0.010734007592, 0.013748677209]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "P 1", "number": 1, "point_group": "1", "symbol": "P1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Sb2S3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.84473291\n_cell_length_b   11.36714114\n_cell_length_c   11.80011845\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   Sb2S3\n_chemical_formula_sum   'Sb8 S12'\n_cell_volume   515.70791197\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  Sb  Sb0  1  0.75000000  0.46558362  0.85735040  1.0\n  Sb  Sb1  1  0.25000000  0.53441638  0.14264960  1.0\n  Sb  Sb2  1  0.25000000  0.96558362  0.64264960  1.0\n  Sb  Sb3  1  0.75000000  0.03441638  0.35735040  1.0\n  Sb  Sb4  1  0.25000000  0.17308267  0.96694360  1.0\n  Sb  Sb5  1  0.75000000  0.82691733  0.03305640  1.0\n  Sb  Sb6  1  0.75000000  0.67308267  0.53305640  1.0\n  Sb  Sb7  1  0.25000000  0.32691733  0.46694360  1.0\n  S  S8  1  0.75000000  0.06146949  0.87592716  1.0\n  S  S9  1  0.25000000  0.93853051  0.12407284  1.0\n  S  S10  1  0.25000000  0.56146949  0.62407284  1.0\n  S  S11  1  0.75000000  0.43853051  0.37592716  1.0\n  S  S12  1  0.75000000  0.37923204  0.04854145  1.0\n  S  S13  1  0.25000000  0.62076796  0.95145855  1.0\n  S  S14  1  0.25000000  0.87923204  0.45145855  1.0\n  S  S15  1  0.75000000  0.12076796  0.54854145  1.0\n  S  S16  1  0.25000000  0.18854761  0.30024927  1.0\n  S  S17  1  0.75000000  0.81145239  0.69975073  1.0\n  S  S18  1  0.75000000  0.68854761  0.19975073  1.0\n  S  S19  1  0.25000000  0.31145239  0.80024927  1.0\n", "composition": {"S": 12.0, "Sb": 8.0}, "description": "", "elements": ["S", "Sb"], "formula": "Sb2S3", "identifiers": {"materials_project_id": "mp-2809"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.2866, "density": 4.375422728289009, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.2872430251874988, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 515.7079119701428}, "record_id": "mp-2809", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.84473291, "alpha": 90.0, "b": 11.36714114, "beta": 90.0, "c": 11.80011845, "gamma": 90.0, "matrix": [[3.84473291, -0.0, 0.0], [0.0, 11.36714114, 0.0], [0.0, 0.0, 11.80011845]], "pbc": [true, true, true], "volume": 515.7079119701428}, "properties": {}, "sites": [{"abc": [0.75, 0.46558362, 0.8573504], "label": "Sb", "properties": {}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.8835496825, 5.292354721012126, 10.11683627315488]}, {"abc": [0.25, 0.53441638, 0.1426496], "label": "Sb", "properties": {}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.9611832275, 6.074786418987873, 1.6832821768451198]}, {"abc": [0.25, 0.96558362, 0.6426496], "label": "Sb", "properties": {}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.9611832275, 10.975925291012127, 7.58334140184512]}, {"abc": [0.75, 0.03441638, 0.3573504], "label": "Sb", "properties": {}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.8835496825, 0.3912158489878732, 4.21677704815488]}, {"abc": [0.25, 0.17308267, 0.9669436], "label": "Sb", "properties": {}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.9611832275, 1.9674551387780437, 11.41004901446942]}, {"abc": [0.75, 0.82691733, 0.0330564], "label": "Sb", "properties": {}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.8835496825, 9.399686001221955, 0.39006943553058]}, {"abc": [0.75, 0.67308267, 0.5330564], "label": "Sb", "properties": {}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.8835496825, 7.651025708778043, 6.29012866053058]}, {"abc": [0.25, 0.32691733, 0.4669436], "label": "Sb", "properties": {}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.9611832275, 3.716115431221956, 5.50998978946942]}, {"abc": [0.75, 0.06146949, 0.87592716], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8835496825, 0.6987323686338186, 10.336044241572102]}, {"abc": [0.25, 0.93853051, 0.12407284], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9611832275, 10.668408771366181, 1.464074208427898]}, {"abc": [0.25, 0.56146949, 0.62407284], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9611832275, 6.382302938633819, 7.364133433427897]}, {"abc": [0.75, 0.43853051, 0.37592716], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8835496825, 4.9848382013661805, 4.4359850165721015]}, {"abc": [0.75, 0.37923204, 0.04854145], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8835496825, 4.310784123490126, 0.5727948597347524]}, {"abc": [0.25, 0.62076796, 0.95145855], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9611832275, 7.056357016509874, 11.227323590265247]}, {"abc": [0.25, 0.87923204, 0.45145855], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9611832275, 9.994354693490125, 5.327264365265247]}, {"abc": [0.75, 0.12076796, 0.54854145], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8835496825, 1.3727864465098742, 6.472854084734752]}, {"abc": [0.25, 0.18854761, 0.30024927], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9611832275, 2.1432472944796754, 3.5429769505260316]}, {"abc": [0.75, 0.81145239, 0.69975073], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8835496825, 9.223893845520324, 8.257141499473969]}, {"abc": [0.75, 0.68854761, 0.19975073], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.8835496825, 7.826817864479675, 2.357082274473968]}, {"abc": [0.25, 0.31145239, 0.80024927], "label": "S", "properties": {}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.9611832275, 3.5403232755203247, 9.44303617552603]}], "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_Sb2S3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.87740200\n_cell_length_b   11.21426500\n_cell_length_c   12.20111400\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   Sb2S3\n_chemical_formula_sum   'Sb8 S12'\n_cell_volume   530.53144437\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  Sb  Sb0  1  0.50000000  0.17430100  0.28522300  1.0\n  Sb  Sb1  1  0.00000000  0.67430100  0.71477700  1.0\n  Sb  Sb2  1  0.00000000  0.46633400  0.39557700  1.0\n  Sb  Sb3  1  0.50000000  0.96633400  0.60442300  1.0\n  Sb  Sb4  1  0.00000000  0.83063900  0.21932500  1.0\n  Sb  Sb5  1  0.50000000  0.33063900  0.78067500  1.0\n  Sb  Sb6  1  0.50000000  0.53230700  0.11487900  1.0\n  Sb  Sb7  1  0.00000000  0.03230700  0.88512100  1.0\n  S  S8  1  0.00000000  0.05583500  0.37211300  1.0\n  S  S9  1  0.50000000  0.55583500  0.62788700  1.0\n  S  S10  1  0.50000000  0.30983400  0.45253200  1.0\n  S  S11  1  0.00000000  0.80983400  0.54746800  1.0\n  S  S12  1  0.00000000  0.37267100  0.21041900  1.0\n  S  S13  1  0.50000000  0.87267100  0.78958100  1.0\n  S  S14  1  0.50000000  0.94082700  0.12601300  1.0\n  S  S15  1  0.00000000  0.44082700  0.87398700  1.0\n  S  S16  1  0.00000000  0.68535200  0.05674800  1.0\n  S  S17  1  0.50000000  0.18535200  0.94325200  1.0\n  S  S18  1  0.50000000  0.62294000  0.30071600  1.0\n  S  S19  1  0.00000000  0.12294000  0.69928400  1.0\n", "composition": {"S": 12.0, "Sb": 8.0}, "description": "", "elements": ["S", "Sb"], "formula": "Sb2S3", "identifiers": {"materials_project_id": "mp-1189633"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.2751000000000001, "density": 4.253169426894197, "energy_above_hull": 0.0006069709999998452, "formation_energy_per_atom": -0.28663605418749966, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 9.76e-05, "volume": 530.531444368149}, "record_id": "mp-1189633", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.877402, "alpha": 90.0, "b": 11.214265, "beta": 90.0, "c": 12.201114, "gamma": 90.0, "matrix": [[3.877402, 0.0, 0.0], [0.0, 11.214265, 0.0], [0.0, 0.0, 12.201114]], "pbc": [true, true, true], "volume": 530.531444368149}, "properties": {}, "sites": [{"abc": [0.5, 0.174301, 0.285223], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [1.938701, 1.954657603765, 3.480038338422]}, {"abc": [0.0, 0.674301, 0.714777], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.0, 7.561790103765, 8.721075661578]}, {"abc": [0.0, 0.466334, 0.395577], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.0, 5.22959305451, 4.826480072778001]}, {"abc": [0.5, 0.966334, 0.604423], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [1.938701, 10.83672555451, 7.374633927222001]}, {"abc": [0.0, 0.830639, 0.219325], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.0, 9.315005865335, 2.67600932805]}, {"abc": [0.5, 0.330639, 0.780675], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [1.938701, 3.707873365335, 9.52510467195]}, {"abc": [0.5, 0.532307, 0.114879], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [1.938701, 5.9694317593549995, 1.401651775206]}, {"abc": [0.0, 0.032307, 0.885121], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.0, 0.362299259355, 10.799462224794]}, {"abc": [0.0, 0.055835, 0.372113], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 0.626148486275, 4.540193133882]}, {"abc": [0.5, 0.555835, 0.627887], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.938701, 6.233280986274999, 7.660920866118]}, {"abc": [0.5, 0.309834, 0.452532], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.938701, 3.4745605820099996, 5.521394520648]}, {"abc": [0.0, 0.809834, 0.547468], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 9.08169308201, 6.679719479351999]}, {"abc": [0.0, 0.372671, 0.210419], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 4.179231351814999, 2.567346206766]}, {"abc": [0.5, 0.872671, 0.789581], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.938701, 9.786363851814999, 9.633767793234]}, {"abc": [0.5, 0.940827, 0.126013], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.938701, 10.550683297154999, 1.537498978482]}, {"abc": [0.0, 0.440827, 0.873987], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 4.943550797155, 10.663615021518]}, {"abc": [0.0, 0.685352, 0.056748], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 7.685718946279999, 0.6923888172720001]}, {"abc": [0.5, 0.185352, 0.943252], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.938701, 2.0785864462799997, 11.508725182728]}, {"abc": [0.5, 0.62294, 0.300716], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.938701, 6.9858142391, 3.669070197624]}, {"abc": [0.0, 0.12294, 0.699284], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.0, 1.3786817391, 8.532043802376]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "P 2ac -2", "number": 31, "point_group": "mm2", "symbol": "Pmn2_1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Sb2S5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.82243400\n_cell_length_b   8.96168000\n_cell_length_c   13.72018042\n_cell_angle_alpha   77.14712066\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Sb2S5\n_chemical_formula_sum   'Sb8 S20'\n_cell_volume   937.71538509\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  Sb  Sb0  1  0.09787800  0.46121900  0.61848700  1.0\n  Sb  Sb1  1  0.59787800  0.03878100  0.38151300  1.0\n  Sb  Sb2  1  0.90212200  0.53878100  0.38151300  1.0\n  Sb  Sb3  1  0.40212200  0.96121900  0.61848700  1.0\n  Sb  Sb4  1  0.17775700  0.58997400  0.88111000  1.0\n  Sb  Sb5  1  0.67775700  0.91002600  0.11889000  1.0\n  Sb  Sb6  1  0.82224300  0.41002600  0.11889000  1.0\n  Sb  Sb7  1  0.32224300  0.08997400  0.88111000  1.0\n  S  S8  1  0.28279300  0.64573000  0.71124500  1.0\n  S  S9  1  0.78279300  0.85427000  0.28875500  1.0\n  S  S10  1  0.71720700  0.35427000  0.28875500  1.0\n  S  S11  1  0.21720700  0.14573000  0.71124500  1.0\n  S  S12  1  0.36473800  0.92951600  0.16735900  1.0\n  S  S13  1  0.86473800  0.57048400  0.83264100  1.0\n  S  S14  1  0.63526200  0.07048400  0.83264100  1.0\n  S  S15  1  0.13526200  0.42951600  0.16735900  1.0\n  S  S16  1  0.36120600  0.08863200  0.24954800  1.0\n  S  S17  1  0.86120600  0.41136800  0.75045200  1.0\n  S  S18  1  0.63879400  0.91136800  0.75045200  1.0\n  S  S19  1  0.13879400  0.58863200  0.24954800  1.0\n  S  S20  1  0.05267800  0.69495600  0.48885100  1.0\n  S  S21  1  0.55267800  0.80504400  0.51114900  1.0\n  S  S22  1  0.94732200  0.30504400  0.51114900  1.0\n  S  S23  1  0.44732200  0.19495600  0.48885100  1.0\n  S  S24  1  0.78081100  0.17325800  0.04842900  1.0\n  S  S25  1  0.28081100  0.32674200  0.95157100  1.0\n  S  S26  1  0.21918900  0.82674200  0.95157100  1.0\n  S  S27  1  0.71918900  0.67325800  0.04842900  1.0\n", "composition": {"S": 20.0, "Sb": 8.0}, "description": "", "elements": ["S", "Sb"], "formula": "Sb2S5", "identifiers": {"materials_project_id": "mp-1359089"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.8605711752156613, "energy_above_hull": 0.08012190446428491, "formation_energy_per_atom": -0.1250516849553581, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0002957, "volume": 937.7153850925454}, "record_id": "mp-1359089", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.822434, "alpha": 77.14712065531774, "b": 8.96168, "beta": 90.0, "c": 13.72018042258993, "gamma": 90.0, "matrix": [[7.822434, 0.0, 0.0], [0.0, 8.96168, 0.0], [0.0, 3.052032, 13.376414]], "pbc": [true, true, true], "volume": 937.7153850925454}, "properties": {}, "sites": [{"abc": [0.097878, 0.461219, 0.618487], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.7656441950520001, 6.020939203504, 8.273138165618]}, {"abc": [0.597878, 0.038781, 0.381513], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [4.676861195052, 1.511932796496, 5.103275834382]}, {"abc": [0.902122, 0.538781, 0.381513], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [7.056789804948, 5.992772796495999, 5.103275834382]}, {"abc": [0.402122, 0.961219, 0.618487], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [3.145572804948, 10.501779203504, 8.273138165618]}, {"abc": [0.177757, 0.589974, 0.88111], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [1.390492400538, 7.97633411184, 11.78609213954]}, {"abc": [0.677757, 0.910026, 0.11889], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [5.301709400538001, 8.51821788816, 1.59032186046]}, {"abc": [0.822243, 0.410026, 0.11889], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [6.431941599462, 4.03737788816, 1.59032186046]}, {"abc": [0.322243, 0.089974, 0.88111], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.520724599462, 3.49549411184, 11.78609213954]}, {"abc": [0.282793, 0.64573, 0.711245], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.212129578162, 7.95756812624, 9.51390757543]}, {"abc": [0.782793, 0.85427, 0.288755], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.123346578162, 8.536983873759999, 3.86250642457]}, {"abc": [0.717207, 0.35427, 0.288755], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [5.610304421838, 4.05614387376, 3.86250642457]}, {"abc": [0.217207, 0.14573, 0.711245], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.699087421838, 3.4767281262400003, 9.51390757543]}, {"abc": [0.364738, 0.929516, 0.167359], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.853138932292, 8.840809970368, 2.238663270626]}, {"abc": [0.864738, 0.570484, 0.832641], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.764355932292, 7.653742029631999, 11.137750729374]}, {"abc": [0.635262, 0.070484, 0.832641], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.969295067708, 3.1729020296319996, 11.137750729374]}, {"abc": [0.135262, 0.429516, 0.167359], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.058078067708, 4.359969970368, 2.238663270626]}, {"abc": [0.361206, 0.088632, 0.249548], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.825510095404, 1.5559201032960002, 3.338057360872]}, {"abc": [0.861206, 0.411368, 0.750452], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.736727095404, 5.976951896704, 10.038356639128]}, {"abc": [0.638794, 0.911368, 0.750452], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.996923904596, 10.457791896703998, 10.038356639128]}, {"abc": [0.138794, 0.588632, 0.249548], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.085706904596, 6.036760103296, 3.338057360872]}, {"abc": [0.052678, 0.694956, 0.488851], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [0.41207017825200004, 7.719962181312, 6.539073360314]}, {"abc": [0.552678, 0.805044, 0.511149], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.323287178252, 8.774589818688, 6.8373406396859995]}, {"abc": [0.947322, 0.305044, 0.511149], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [7.410363821748001, 4.293749818687999, 6.8373406396859995]}, {"abc": [0.447322, 0.194956, 0.488851], "label": "S", "properties": {"magmom": -0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.499146821748, 3.2391221813119997, 6.539073360314]}, {"abc": [0.780811, 0.173258, 0.048429], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [6.107842513974001, 1.700489611168, 0.647806353606]}, {"abc": [0.280811, 0.326742, 0.951571], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [2.196625513974, 5.832382388831999, 12.728607646394]}, {"abc": [0.219189, 0.826742, 0.951571], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.714591486026, 10.313222388832, 12.728607646394]}, {"abc": [0.719189, 0.673258, 0.048429], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [5.625808486026, 6.181329611168, 0.647806353606]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-P 2ybc", "number": 14, "point_group": "2/m", "symbol": "P2_1/c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SbS\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.86944000\n_cell_length_b   5.00789087\n_cell_length_c   10.36245113\n_cell_angle_alpha   83.90736607\n_cell_angle_beta   87.93891587\n_cell_angle_gamma   89.41855332\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SbS\n_chemical_formula_sum   'Sb2 S2'\n_cell_volume   199.53338640\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  Sb  Sb0  1  0.26906800  0.80763400  0.42130600  1.0\n  Sb  Sb1  1  0.73093200  0.19236600  0.57869400  1.0\n  S  S2  1  0.76149000  0.42450900  0.36165600  1.0\n  S  S3  1  0.23851000  0.57549100  0.63834400  1.0\n", "composition": {"S": 2.0, "Sb": 2.0}, "description": "", "elements": ["S", "Sb"], "formula": "SbS", "identifiers": {"materials_project_id": "mp-1065860"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.5602975710686855, "energy_above_hull": 0.17869745624999922, "formation_energy_per_atom": -0.06067173140625215, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 7e-07, "volume": 199.53338640242487}, "record_id": "mp-1065860", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.86944, "alpha": 83.90736606798794, "b": 5.007890866930808, "beta": 87.93891586667593, "c": 10.362451126692275, "gamma": 89.41855332493815, "matrix": [[3.86944, 0.0, 0.0], [0.05082, 5.007633, 0.0], [0.372685, 1.096106, 10.297575]], "pbc": [true, true, true], "volume": 199.53338640242487}, "properties": {}, "sites": [{"abc": [0.269068, 0.807634, 0.421306], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [1.23920086841, 4.506130704758, 4.33843013295]}, {"abc": [0.730932, 0.192366, 0.578694], "label": "Sb", "properties": {"magmom": 0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [3.0537441315900007, 1.5976082952420003, 5.959144867050001]}, {"abc": [0.76149, 0.424509, 0.361656], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [3.10289717934, 2.522198588733, 3.7241797842]}, {"abc": [0.23851, 0.575491, 0.638344], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.19004782066, 3.5815404112670004, 6.573395215800001]}], "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_SbS2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.20989582\n_cell_length_b   7.20989582\n_cell_length_c   7.20989582\n_cell_angle_alpha   130.28600900\n_cell_angle_beta   130.28600900\n_cell_angle_gamma   72.94994466\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SbS2\n_chemical_formula_sum   'Sb2 S4'\n_cell_volume   213.00912668\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  Sb  Sb0  1  0.75000000  0.25000000  0.50000000  1.0\n  Sb  Sb1  1  0.00000000  0.00000000  0.00000000  1.0\n  S  S2  1  0.87500000  0.89902900  0.52402900  1.0\n  S  S3  1  0.10097100  0.62500000  0.97597100  1.0\n  S  S4  1  0.37500000  0.35097100  0.47597100  1.0\n  S  S5  1  0.64902900  0.12500000  0.02402900  1.0\n", "composition": {"S": 4.0, "Sb": 2.0}, "description": "", "elements": ["S", "Sb"], "formula": "SbS2", "identifiers": {"materials_project_id": "mp-1042075"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.898257106042163, "energy_above_hull": 0.2585348032291659, "formation_energy_per_atom": 0.019165615572916295, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0002344, "volume": 213.00912667687126}, "record_id": "mp-1042075", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.20989582427229, "alpha": 130.28600900042707, "b": 7.20989582427229, "beta": 130.28600900042707, "c": 7.20989582427229, "gamma": 72.94994466150145, "matrix": [[-3.030715, 3.030715, 5.797597], [3.030715, -3.030715, 5.797597], [3.030715, 3.030715, -5.797597]], "pbc": [true, true, true], "volume": 213.00912667687126}, "properties": {}, "sites": [{"abc": [0.75, 0.25, 0.5], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [2.220446049250313e-16, 3.030715, 2.8987985]}, {"abc": [0.0, 0.0, 0.0], "label": "Sb", "properties": {"magmom": -0.0}, "species": [{"element": "Sb", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.875, 0.899029, 0.524029], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.66100760147, 1.5153574999999997, 7.246996249999999]}, {"abc": [0.100971, 0.625, 0.975971], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [4.5460725, 1.3697073985300001, -1.44939925]}, {"abc": [0.375, 0.350971, 0.475971], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [1.36970739853, 1.5153574999999997, 1.44939925]}, {"abc": [0.649029, 0.125, 0.024029], "label": "S", "properties": {"magmom": 0.0}, "species": [{"element": "S", "occu": 1.0}], "xyz": [-1.5153574999999997, 1.6610076014699995, 4.348197749999999]}], "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"}}}