{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=10182","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=10180","results":[{"id":"mp-8406","created_at":"2022-09-04T14:44:27.472870Z","structure_string":"Li3 Nd1 As2\n1.0\n2.156404 -3.735002 0.000000\n2.156404 3.735002 0.000000\n0.000000 0.000000 6.952973\nLi Nd As\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.355510 Li\n0.333333 0.666667 0.644490 Li\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.257584 As\n0.666667 0.333333 0.742416 As\n","nsites":6,"nelements":3,"elements":["Li","Nd","As"],"chemical_system":"As-Li-Nd","density":4.668867627832761,"density_atomic":0.053570998889833944,"volume":112.0008983281924,"volume_molar":11.241419582980388,"formula_full":"Li3 Nd1 As2","formula_reduced":"Li3NdAs2","formula_anonymous":"AB2C3","energy":-25.77705101,"energy_per_atom":-4.296175168333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.77705101,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.816000Z","spacegroup":164},{"id":"mp-541473","created_at":"2022-09-04T14:46:21.595810Z","structure_string":"Sb4 O8 F24\n1.0\n-5.076275 5.076275 5.076275\n5.076275 -5.076275 5.076275\n5.076275 5.076275 -5.076275\nSb O F\n4 8 24\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.619155 0.619155 0.619155 O\n0.880845 0.500000 0.000000 O\n0.000000 0.880845 0.500000 O\n0.500000 0.000000 0.880845 O\n0.380845 0.380845 0.380845 O\n0.119155 0.500000 0.000000 O\n0.000000 0.119155 0.500000 O\n0.500000 0.000000 0.119155 O\n0.077355 0.050557 0.252159 F\n0.449443 0.526797 0.201601 F\n0.973203 0.422645 0.674804 F\n0.825196 0.247841 0.298399 F\n0.526797 0.201601 0.449443 F\n0.674804 0.973203 0.422645 F\n0.247841 0.298399 0.825196 F\n0.252159 0.077355 0.050557 F\n0.050557 0.252159 0.077355 F\n0.201601 0.449443 0.526797 F\n0.422645 0.674804 0.973203 F\n0.298399 0.825196 0.247841 F\n0.922645 0.949443 0.747841 F\n0.550557 0.473203 0.798399 F\n0.026797 0.577355 0.325196 F\n0.174804 0.752159 0.701601 F\n0.473203 0.798399 0.550557 F\n0.325196 0.026797 0.577355 F\n0.752159 0.701601 0.174804 F\n0.747841 0.922645 0.949443 F\n0.949443 0.747841 0.922645 F\n0.798399 0.550557 0.473203 F\n0.577355 0.325196 0.026797 F\n0.701601 0.174804 0.752159 F\n","nsites":36,"nelements":3,"elements":["Sb","O","F"],"chemical_system":"F-O-Sb","density":3.3989273856258992,"density_atomic":0.06880295410661051,"volume":523.2333475713532,"volume_molar":8.75273574833526,"formula_full":"Sb4 O8 F24","formula_reduced":"Sb(OF3)2","formula_anonymous":"AB2C6","energy":-154.6616417,"energy_per_atom":-4.296156713888888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.0776417,"band_gap":1.3087,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0002273,"is_theoretical":false,"updated_at":"2021-11-28T01:37:26.583000Z","spacegroup":206},{"id":"mp-1197020","created_at":"2022-09-04T14:43:34.611442Z","structure_string":"Ge34\n1.0\n0.000000 7.809953 7.809953\n7.809953 0.000000 7.809953\n7.809953 7.809953 0.000000\nGe\n34\ndirect\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ge\n0.353724 0.353724 0.938828 Ge\n0.353724 0.938828 0.353724 Ge\n0.938828 0.353724 0.353724 Ge\n0.353724 0.353724 0.353724 Ge\n0.896276 0.896276 0.311172 Ge\n0.896276 0.311172 0.896276 Ge\n0.311172 0.896276 0.896276 Ge\n0.896276 0.896276 0.896276 Ge\n0.995239 0.387266 0.622256 Ge\n0.995239 0.995239 0.622256 Ge\n0.387266 0.995239 0.622256 Ge\n0.995239 0.622256 0.387266 Ge\n0.387266 0.622256 0.995239 Ge\n0.995239 0.622256 0.995239 Ge\n0.622256 0.995239 0.995239 Ge\n0.622256 0.387266 0.995239 Ge\n0.622256 0.995239 0.387266 Ge\n0.387266 0.995239 0.995239 Ge\n0.995239 0.995239 0.387266 Ge\n0.995239 0.387266 0.995239 Ge\n0.254761 0.862734 0.627744 Ge\n0.254761 0.254761 0.627744 Ge\n0.862734 0.254761 0.627744 Ge\n0.254761 0.627744 0.862734 Ge\n0.862734 0.627744 0.254761 Ge\n0.254761 0.627744 0.254761 Ge\n0.627744 0.254761 0.254761 Ge\n0.627744 0.862734 0.254761 Ge\n0.627744 0.254761 0.862734 Ge\n0.862734 0.254761 0.254761 Ge\n0.254761 0.254761 0.862734 Ge\n0.254761 0.862734 0.254761 Ge\n","nsites":34,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":4.304558292269342,"density_atomic":0.03568647570846574,"volume":952.7418812033135,"volume_molar":16.875134460451626,"formula_full":"Ge34","formula_reduced":"Ge","formula_anonymous":"A","energy":-146.06889571,"energy_per_atom":-4.296143991470588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.06889571,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040314,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.433000Z","spacegroup":227},{"id":"mp-15787","created_at":"2022-09-04T14:47:01.510271Z","structure_string":"K1 Yb1 S2\n1.0\n7.362012 -2.080629 0.000000\n7.362012 2.080629 0.000000\n6.773992 0.000000 3.555458\nK Yb S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Yb\n0.733824 0.733824 0.733824 S\n0.266176 0.266176 0.266176 S\n","nsites":4,"nelements":3,"elements":["K","Yb","S"],"chemical_system":"K-S-Yb","density":4.211758256413318,"density_atomic":0.03672343309164079,"volume":108.92227831799592,"volume_molar":16.398632298271686,"formula_full":"K1 Yb1 S2","formula_reduced":"KYbS2","formula_anonymous":"ABC2","energy":-17.18361672,"energy_per_atom":-4.29590418,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.17761672,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3834581,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.633000Z","spacegroup":166},{"id":"mp-18006","created_at":"2022-09-04T14:42:04.965655Z","structure_string":"Rb4 Cu4 Sn2 S8\n1.0\n-2.740345 5.877584 6.928991\n2.740345 -5.877584 6.928991\n2.740345 5.877584 -6.928991\nRb Cu Sn S\n4 4 2 8\ndirect\n0.624333 0.771647 0.395979 Rb\n0.875667 0.271647 0.147314 Rb\n0.124333 0.728353 0.852686 Rb\n0.375667 0.228353 0.604021 Rb\n0.024540 0.750000 0.274540 Cu\n0.475460 0.750000 0.725460 Cu\n0.975460 0.250000 0.725460 Cu\n0.524540 0.250000 0.274540 Cu\n0.750000 0.750000 0.000000 Sn\n0.250000 0.250000 0.000000 Sn\n0.718993 0.621553 0.638190 S\n0.781007 0.419197 0.902560 S\n0.516637 0.878447 0.097440 S\n0.983363 0.080803 0.361810 S\n0.281007 0.378447 0.361810 S\n0.218993 0.580803 0.097440 S\n0.016637 0.919197 0.638190 S\n0.483363 0.121553 0.902560 S\n","nsites":18,"nelements":4,"elements":["Rb","Cu","Sn","S"],"chemical_system":"Cu-Rb-S-Sn","density":4.054521496328551,"density_atomic":0.040321662437406855,"volume":446.4101654524343,"volume_molar":14.935249183608045,"formula_full":"Rb4 Cu4 Sn2 S8","formula_reduced":"Rb2Cu2SnS4","formula_anonymous":"AB2C2D4","energy":-77.32389583,"energy_per_atom":-4.295771990555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.29989583,"band_gap":0.9012999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.35e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.295000Z","spacegroup":72},{"id":"mp-1232299","created_at":"2022-09-04T14:44:22.786988Z","structure_string":"Mg2 In2 S6\n1.0\n5.903285 3.393720 0.000000\n-5.903285 3.393720 0.000000\n0.000000 3.237509 5.655071\nMg In S\n2 2 6\ndirect\n0.670342 0.329658 0.000000 Mg\n0.329658 0.670342 0.000000 Mg\n0.841861 0.841861 0.345025 In\n0.158139 0.158139 0.654975 In\n0.520684 0.873277 0.260727 S\n0.479316 0.126723 0.739273 S\n0.126723 0.479316 0.739273 S\n0.873277 0.520684 0.260727 S\n0.747997 0.747997 0.769893 S\n0.252003 0.252003 0.230107 S\n","nsites":10,"nelements":3,"elements":["Mg","In","S"],"chemical_system":"In-Mg-S","density":3.449025661509575,"density_atomic":0.044132871318047544,"volume":226.58847478864658,"volume_molar":13.645476897709411,"formula_full":"Mg2 In2 S6","formula_reduced":"MgInS3","formula_anonymous":"ABC3","energy":-42.95739852,"energy_per_atom":-4.295739852,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.93939852,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0386883,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.559000Z","spacegroup":12},{"id":"mp-1204302","created_at":"2022-09-04T14:39:13.291450Z","structure_string":"K16 Xe4 O60\n1.0\n8.791005 0.000000 0.000000\n0.000000 11.754295 0.000000\n0.000000 0.000000 15.908434\nK Xe O\n16 4 60\ndirect\n0.372866 0.510553 0.652485 K\n0.627134 0.489447 0.152485 K\n0.372866 0.989447 0.152485 K\n0.627134 0.010553 0.652485 K\n0.140320 0.712662 0.040246 K\n0.859680 0.287338 0.540246 K\n0.140320 0.787338 0.540246 K\n0.859680 0.212662 0.040246 K\n0.634471 0.717032 0.962818 K\n0.365529 0.282968 0.462818 K\n0.634471 0.782968 0.462818 K\n0.365529 0.217032 0.962818 K\n0.100020 0.457015 0.844341 K\n0.899980 0.542985 0.344341 K\n0.100020 0.042985 0.344341 K\n0.899980 0.957015 0.844341 K\n0.750006 0.525335 0.729560 Xe\n0.249994 0.474665 0.229560 Xe\n0.750006 0.974665 0.229560 Xe\n0.249994 0.025335 0.729560 Xe\n0.538313 0.741843 0.790446 O\n0.461687 0.258157 0.290446 O\n0.538313 0.758157 0.290446 O\n0.461687 0.241843 0.790446 O\n0.922285 0.263286 0.752337 O\n0.077715 0.736714 0.252337 O\n0.922285 0.236714 0.252337 O\n0.077715 0.763286 0.752337 O\n0.981781 0.599517 0.572488 O\n0.018219 0.400483 0.072488 O\n0.981781 0.900483 0.072488 O\n0.018219 0.099517 0.572488 O\n0.916424 0.633840 0.907091 O\n0.083576 0.366160 0.407091 O\n0.916424 0.866160 0.407091 O\n0.083576 0.133840 0.907091 O\n0.564270 0.327748 0.608099 O\n0.435730 0.672252 0.108099 O\n0.564270 0.172252 0.108099 O\n0.435730 0.827748 0.608099 O\n0.632392 0.369247 0.912363 O\n0.367608 0.630753 0.412363 O\n0.632392 0.130753 0.412363 O\n0.367608 0.869247 0.912363 O\n0.381831 0.332446 0.789312 O\n0.618169 0.667554 0.289312 O\n0.381831 0.167554 0.289312 O\n0.618169 0.832446 0.789312 O\n0.143812 0.668115 0.744601 O\n0.856188 0.331885 0.244601 O\n0.143812 0.831885 0.244601 O\n0.856188 0.168115 0.744601 O\n0.094828 0.431841 0.618914 O\n0.905172 0.568159 0.118914 O\n0.094828 0.068159 0.118914 O\n0.905172 0.931841 0.618914 O\n0.312998 0.576117 0.474299 O\n0.687002 0.423883 0.974299 O\n0.312998 0.923883 0.974299 O\n0.687002 0.076117 0.474299 O\n0.923675 0.745292 0.901162 O\n0.076325 0.254708 0.401162 O\n0.923675 0.754708 0.401162 O\n0.076325 0.245292 0.901162 O\n0.982714 0.509739 0.055850 O\n0.017286 0.490261 0.555850 O\n0.982714 0.990261 0.555850 O\n0.017286 0.009739 0.055850 O\n0.618372 0.037143 0.968532 O\n0.381628 0.962857 0.468532 O\n0.618372 0.462857 0.468532 O\n0.381628 0.537143 0.968532 O\n0.457958 0.782679 0.100118 O\n0.542042 0.217321 0.600118 O\n0.457958 0.717321 0.600118 O\n0.542042 0.282679 0.100118 O\n0.372950 0.587360 0.895939 O\n0.627050 0.412640 0.395939 O\n0.372950 0.912640 0.395939 O\n0.627050 0.087360 0.895939 O\n","nsites":80,"nelements":3,"elements":["K","Xe","O"],"chemical_system":"K-O-Xe","density":2.132135860280942,"density_atomic":0.048666200754903806,"volume":1643.851353897579,"volume_molar":12.374380302109742,"formula_full":"K16 Xe4 O60","formula_reduced":"K4XeO15","formula_anonymous":"AB4C15","energy":-343.65769995999995,"energy_per_atom":-4.2957212495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-343.65769995999995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2365444,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.195000Z","spacegroup":29},{"id":"mp-766422","created_at":"2022-09-04T14:45:16.057595Z","structure_string":"Li12 Bi4 S16\n1.0\n7.141674 0.000000 0.000000\n0.000000 9.773784 0.000000\n0.000000 0.000000 10.107786\nLi Bi S\n12 4 16\ndirect\n0.727733 0.215828 0.587730 Li\n0.727733 0.215828 0.912270 Li\n0.691480 0.391706 0.250000 Li\n0.808520 0.891706 0.750000 Li\n0.772267 0.715828 0.412270 Li\n0.772267 0.715828 0.087730 Li\n0.227733 0.284172 0.587730 Li\n0.227733 0.284172 0.912270 Li\n0.191480 0.108294 0.250000 Li\n0.308520 0.608294 0.750000 Li\n0.272267 0.784172 0.087730 Li\n0.272267 0.784172 0.412270 Li\n0.748345 0.018294 0.250000 Bi\n0.751655 0.518294 0.750000 Bi\n0.248345 0.481706 0.250000 Bi\n0.251655 0.981706 0.750000 Bi\n0.505802 0.805172 0.750000 S\n0.642590 0.483529 0.478391 S\n0.642590 0.483529 0.021609 S\n0.537666 0.801173 0.250000 S\n0.962334 0.301173 0.750000 S\n0.857410 0.983529 0.978391 S\n0.857410 0.983529 0.521609 S\n0.994198 0.305172 0.250000 S\n0.005802 0.694828 0.750000 S\n0.142590 0.016471 0.478391 S\n0.142590 0.016471 0.021609 S\n0.037666 0.698827 0.250000 S\n0.462334 0.198827 0.750000 S\n0.357410 0.516471 0.978391 S\n0.357410 0.516471 0.521609 S\n0.494198 0.194828 0.250000 S\n","nsites":32,"nelements":3,"elements":["Li","Bi","S"],"chemical_system":"Bi-Li-S","density":3.3709337920778415,"density_atomic":0.04535562762471375,"volume":705.535380631875,"volume_molar":13.277604291641651,"formula_full":"Li12 Bi4 S16","formula_reduced":"Li3BiS4","formula_anonymous":"AB3C4","energy":-137.46300219,"energy_per_atom":-4.2957188184375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.41500219,"band_gap":1.6645,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.691000Z","spacegroup":62},{"id":"mp-1079720","created_at":"2022-09-04T14:42:53.319193Z","structure_string":"Ag4 O4\n1.0\n3.639342 0.000000 0.000000\n0.000000 5.637373 0.000000\n0.000000 1.827867 5.569183\nAg O\n4 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.833554 0.283423 0.290376 O\n0.333554 0.216577 0.709624 O\n0.166446 0.716577 0.709624 O\n0.666446 0.783423 0.290376 O\n","nsites":8,"nelements":2,"elements":["Ag","O"],"chemical_system":"Ag-O","density":7.2007159993612895,"density_atomic":0.07001625176547109,"volume":114.25918694986818,"volume_molar":8.601061336690766,"formula_full":"Ag4 O4","formula_reduced":"AgO","formula_anonymous":"AB","energy":-34.36538392,"energy_per_atom":-4.29567299,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61738392,"band_gap":0.1159999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003972,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.644000Z","spacegroup":14},{"id":"mp-1215626","created_at":"2022-09-04T14:40:05.593792Z","structure_string":"Zn4 O4 F4\n1.0\n3.153015 0.000000 0.000000\n0.000000 4.496622 0.000000\n0.000000 0.000000 10.318379\nZn O F\n4 4 4\ndirect\n0.250000 0.058209 0.138697 Zn\n0.750000 0.941791 0.861303 Zn\n0.750000 0.558209 0.361303 Zn\n0.250000 0.441791 0.638697 Zn\n0.250000 0.799667 0.298089 O\n0.750000 0.200333 0.701911 O\n0.750000 0.299667 0.201911 O\n0.250000 0.700333 0.798089 O\n0.250000 0.198893 0.944042 F\n0.750000 0.801107 0.055958 F\n0.750000 0.698893 0.555958 F\n0.250000 0.301107 0.444042 F\n","nsites":12,"nelements":3,"elements":["Zn","O","F"],"chemical_system":"F-O-Zn","density":4.558776861367558,"density_atomic":0.08202709902253062,"volume":146.29311706737215,"volume_molar":7.341647859990613,"formula_full":"Zn4 O4 F4","formula_reduced":"ZnOF","formula_anonymous":"ABC","energy":-51.54758222,"energy_per_atom":-4.295631851666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.95158222,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0007525,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.679000Z","spacegroup":62},{"id":"mp-753444","created_at":"2022-09-04T14:44:16.963229Z","structure_string":"Li12 Bi4 S12\n1.0\n12.429146 0.000000 0.000000\n0.000000 4.011505 0.000000\n0.000000 2.938325 11.814691\nLi Bi S\n12 4 12\ndirect\n0.458062 0.879233 0.619146 Li\n0.969764 0.775109 0.605079 Li\n0.219230 0.488601 0.026001 Li\n0.041938 0.879233 0.119146 Li\n0.530236 0.775109 0.105079 Li\n0.719230 0.511399 0.473999 Li\n0.280770 0.488601 0.526001 Li\n0.469764 0.224891 0.894921 Li\n0.958062 0.120767 0.880854 Li\n0.780770 0.511399 0.973999 Li\n0.030236 0.224891 0.394921 Li\n0.541938 0.120767 0.380854 Li\n0.706931 0.116514 0.750962 Bi\n0.793069 0.116514 0.250962 Bi\n0.206931 0.883486 0.749038 Bi\n0.293069 0.883486 0.249038 Bi\n0.646388 0.931602 0.569243 S\n0.593827 0.701112 0.908449 S\n0.853612 0.931602 0.069243 S\n0.876346 0.703954 0.788099 S\n0.906173 0.701112 0.408449 S\n0.623654 0.703954 0.288099 S\n0.376346 0.296046 0.711901 S\n0.093827 0.298888 0.591551 S\n0.123654 0.296046 0.211901 S\n0.146388 0.068398 0.930757 S\n0.406173 0.298888 0.091551 S\n0.353612 0.068398 0.430757 S\n","nsites":28,"nelements":3,"elements":["Li","Bi","S"],"chemical_system":"Bi-Li-S","density":3.675814294746486,"density_atomic":0.047532103742727885,"volume":589.0755467410555,"volume_molar":12.669628074102127,"formula_full":"Li12 Bi4 S12","formula_reduced":"Li3BiS3","formula_anonymous":"AB3C3","energy":-120.27759221,"energy_per_atom":-4.2956282932142855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.24159221,"band_gap":1.9787,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.090000Z","spacegroup":14},{"id":"mp-1225953","created_at":"2022-09-04T14:40:24.152622Z","structure_string":"Cu8 Sn4 Se12\n1.0\n2.889290 -2.889290 5.737434\n-2.889290 2.889290 5.737434\n-11.501966 -5.723385 0.000000\nCu Sn Se\n8 4 12\ndirect\n0.264347 0.243450 0.499578 Cu\n0.907944 0.574610 0.833333 Cu\n0.576783 0.931014 0.167089 Cu\n0.348102 0.659695 0.667089 Cu\n0.993028 0.014769 0.999578 Cu\n0.657944 0.324610 0.333333 Cu\n0.417362 0.084028 0.833333 Cu\n0.167362 0.834028 0.333333 Cu\n0.098808 0.400226 0.173528 Sn\n0.733559 0.765475 0.493139 Sn\n0.823753 0.175281 0.673528 Sn\n0.508614 0.490420 0.993139 Sn\n0.105130 0.648584 0.989262 Se\n0.798411 0.969400 0.322559 Se\n0.430675 0.298997 0.666548 Se\n0.632331 0.097341 0.000118 Se\n0.302733 0.465078 0.344108 Se\n0.981917 0.771797 0.677405 Se\n0.059185 0.208626 0.844108 Se\n0.699202 0.554512 0.177405 Se\n0.347460 0.882212 0.500118 Se\n0.887845 0.365869 0.489262 Se\n0.541959 0.725852 0.822559 Se\n0.215546 0.014126 0.166548 Se\n","nsites":24,"nelements":3,"elements":["Cu","Sn","Se"],"chemical_system":"Cu-Se-Sn","density":5.613881992786904,"density_atomic":0.042024671625138565,"volume":571.0931001217756,"volume_molar":14.330012649992108,"formula_full":"Cu8 Sn4 Se12","formula_reduced":"Cu2SnSe3","formula_anonymous":"AB2C3","energy":-103.09472064,"energy_per_atom":-4.29561336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.43072064,"band_gap":0.0190999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0057763,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.383000Z","spacegroup":43}]}