{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10192","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10190","results":[{"id":"mp-5239","created_at":"2022-09-04T14:44:13.859687Z","structure_string":"Nd2 Si2 Ru2\n1.0\n4.235079 0.000000 0.000000\n0.000000 4.235079 0.000000\n0.000000 0.000000 6.942794\nNd Si Ru\n2 2 2\ndirect\n0.000000 0.500000 0.321514 Nd\n0.500000 0.000000 0.678486 Nd\n0.000000 0.500000 0.826017 Si\n0.500000 0.000000 0.173983 Si\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n","nsites":6,"nelements":3,"elements":["Nd","Si","Ru"],"chemical_system":"Nd-Ru-Si","density":7.2914906080226425,"density_atomic":0.048183011337234065,"volume":124.5252181937292,"volume_molar":12.498473202205837,"formula_full":"Nd2 Si2 Ru2","formula_reduced":"NdSiRu","formula_anonymous":"ABC","energy":-43.47509747,"energy_per_atom":-7.245849578333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.61709747,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001582,"is_theoretical":false,"updated_at":"2021-11-28T01:36:33.646000Z","spacegroup":129},{"id":"mp-1054609","created_at":"2022-09-04T14:44:18.357697Z","structure_string":"Ca3 Sn3 S9\n1.0\n-3.418516 5.921042 0.000000\n-6.837031 0.000000 0.000000\n-3.418516 1.973681 9.584231\nCa Sn S\n3 3 9\ndirect\n0.000000 0.000000 0.000000 Ca\n0.258458 0.258458 0.224624 Ca\n0.741542 0.741542 0.775376 Ca\n0.500000 0.500000 0.500000 Sn\n0.391757 0.391757 0.824727 Sn\n0.608243 0.608243 0.175273 Sn\n0.000000 0.500000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n0.781564 0.271711 0.675014 S\n0.271711 0.271711 0.675014 S\n0.271711 0.781564 0.675014 S\n0.218436 0.728289 0.324986 S\n0.728289 0.728289 0.324986 S\n0.728289 0.218436 0.324986 S\n","nsites":15,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.273848780077953,"density_atomic":0.0386605738174643,"volume":387.99217183951856,"volume_molar":15.576956483971262,"formula_full":"Ca3 Sn3 S9","formula_reduced":"CaSnS3","formula_anonymous":"ABC3","energy":-70.55979774000001,"energy_per_atom":-4.7039865160000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.03279774,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.585000Z","spacegroup":166},{"id":"mp-1021378","created_at":"2022-09-04T14:44:14.476972Z","structure_string":"Hf2 Mg12 Sn2\n1.0\n4.982416 0.000000 0.000000\n0.000000 6.511033 0.000000\n0.000000 0.000000 11.048582\nHf Mg Sn\n2 12 2\ndirect\n0.000000 0.500000 0.169109 Hf\n0.000000 0.000000 0.669109 Hf\n0.500000 0.249431 0.083176 Mg\n0.500000 0.750569 0.083176 Mg\n0.500000 0.500000 0.832983 Mg\n0.000000 0.254747 0.918651 Mg\n0.000000 0.745253 0.918651 Mg\n0.000000 0.500000 0.665994 Mg\n0.500000 0.749431 0.583176 Mg\n0.500000 0.250569 0.583176 Mg\n0.500000 0.000000 0.332983 Mg\n0.000000 0.754747 0.418651 Mg\n0.000000 0.245253 0.418651 Mg\n0.000000 0.000000 0.165994 Mg\n0.500000 0.500000 0.328259 Sn\n0.500000 0.000000 0.828259 Sn\n","nsites":16,"nelements":3,"elements":["Hf","Mg","Sn"],"chemical_system":"Hf-Mg-Sn","density":4.105024973190524,"density_atomic":0.044639935391123174,"volume":358.4234578256505,"volume_molar":13.490478216949942,"formula_full":"Hf2 Mg12 Sn2","formula_reduced":"HfMg6Sn","formula_anonymous":"ABC6","energy":-46.97081783,"energy_per_atom":-2.935676114375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.97081783,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010842,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.426000Z","spacegroup":38},{"id":"mp-1211896","created_at":"2022-09-04T14:45:12.485237Z","structure_string":"K3 P1 F6\n1.0\n0.699323 1.254874 -6.624164\n-4.109131 -7.058732 1.083202\n-2.514745 6.180228 -0.478417\nK P F\n3 1 6\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 P\n0.781629 0.051766 0.268330 F\n0.218371 0.948234 0.731670 F\n0.790503 0.788023 0.716585 F\n0.209497 0.211977 0.283415 F\n0.059980 0.777056 0.996725 F\n0.940020 0.222944 0.003275 F\n","nsites":10,"nelements":3,"elements":["K","P","F"],"chemical_system":"F-K-P","density":1.5687568788514947,"density_atomic":0.036022679186930466,"volume":277.60289422415144,"volume_molar":16.71763704401231,"formula_full":"K3 P1 F6","formula_reduced":"K3PF6","formula_anonymous":"AB3C6","energy":-46.739275930000005,"energy_per_atom":-4.673927593,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.96727593,"band_gap":3.4901,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.87e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.614000Z","spacegroup":12},{"id":"mp-1078113","created_at":"2022-09-04T14:44:18.371130Z","structure_string":"V1 Fe2 Se4\n1.0\n1.738049 6.460425 0.000000\n-1.738049 6.460425 0.000000\n0.000000 3.034060 5.544338\nV Fe Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 V\n0.250065 0.250065 0.696121 Fe\n0.749935 0.749935 0.303879 Fe\n0.361080 0.361080 0.980610 Se\n0.638920 0.638920 0.019390 Se\n0.111552 0.111552 0.543635 Se\n0.888448 0.888448 0.456365 Se\n","nsites":7,"nelements":3,"elements":["V","Fe","Se"],"chemical_system":"Fe-Se-V","density":6.381200235071122,"density_atomic":0.056220569527414735,"volume":124.5095889074301,"volume_molar":10.711632433861125,"formula_full":"V1 Fe2 Se4","formula_reduced":"V(FeSe2)2","formula_anonymous":"AB2C4","energy":-44.50067164,"energy_per_atom":-6.357238805714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.61267164,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.2266087,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.802000Z","spacegroup":12},{"id":"mp-1207749","created_at":"2022-09-04T14:44:13.750205Z","structure_string":"Y4 Sn2 Au4\n1.0\n8.369217 0.000000 0.000000\n0.000000 8.369217 0.000000\n0.000000 0.000000 3.600860\nY Sn Au\n4 2 4\ndirect\n0.836987 0.336987 0.500000 Y\n0.163013 0.663013 0.500000 Y\n0.336987 0.163013 0.500000 Y\n0.663013 0.836987 0.500000 Y\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.629198 0.129198 0.000000 Au\n0.370802 0.870802 0.000000 Au\n0.129198 0.370802 0.000000 Au\n0.870802 0.629198 0.000000 Au\n","nsites":10,"nelements":3,"elements":["Y","Sn","Au"],"chemical_system":"Au-Sn-Y","density":9.09156141041171,"density_atomic":0.03964825760305855,"volume":252.2178931572665,"volume_molar":15.188916547836998,"formula_full":"Y4 Sn2 Au4","formula_reduced":"Y2SnAu2","formula_anonymous":"AB2C2","energy":-53.16020078999999,"energy_per_atom":-5.316020078999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.16020078999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019854,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.963000Z","spacegroup":127},{"id":"mp-768786","created_at":"2022-09-04T14:45:12.195795Z","structure_string":"Ba4 Y4 I20\n1.0\n14.584520 0.000000 0.000000\n0.000000 8.202139 0.000000\n0.000000 0.943755 10.987092\nBa Y I\n4 4 20\ndirect\n0.043328 0.054710 0.821857 Ba\n0.377033 0.401851 0.627338 Ba\n0.877033 0.598149 0.372662 Ba\n0.543328 0.945290 0.178143 Ba\n0.623386 0.001233 0.595218 Y\n0.232402 0.504670 0.126647 Y\n0.732402 0.495330 0.873353 Y\n0.123386 0.998767 0.404782 Y\n0.758433 0.976099 0.387303 I\n0.499417 0.078444 0.799984 I\n0.278173 0.147223 0.238235 I\n0.520358 0.236263 0.412710 I\n0.228739 0.323982 0.887097 I\n0.019183 0.259038 0.532115 I\n0.710317 0.200527 0.045580 I\n0.735466 0.339507 0.621595 I\n0.038082 0.417522 0.189622 I\n0.934183 0.433382 0.862891 I\n0.434183 0.566618 0.137109 I\n0.538082 0.582478 0.810378 I\n0.235466 0.660493 0.378405 I\n0.210317 0.799473 0.954420 I\n0.519183 0.740962 0.467885 I\n0.728739 0.676018 0.112903 I\n0.020358 0.763737 0.587290 I\n0.778173 0.852777 0.761765 I\n0.999417 0.921556 0.200016 I\n0.258433 0.023901 0.612697 I\n","nsites":28,"nelements":3,"elements":["Ba","Y","I"],"chemical_system":"Ba-I-Y","density":4.3499745640959215,"density_atomic":0.021303747448195118,"volume":1314.322753219279,"volume_molar":28.267987942704433,"formula_full":"Ba4 Y4 I20","formula_reduced":"BaYI5","formula_anonymous":"ABC5","energy":-113.43876801,"energy_per_atom":-4.051384571785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.85876801,"band_gap":2.3773,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.29e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.799000Z","spacegroup":4},{"id":"mp-997015","created_at":"2022-09-04T14:44:18.417240Z","structure_string":"Pb2 Au2 O4\n1.0\n1.875522 -3.248500 0.000000\n1.875522 3.248500 0.000000\n0.000000 0.000000 12.486952\nPb Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.589177 O\n0.333333 0.666667 0.089177 O\n0.333333 0.666667 0.410823 O\n0.666667 0.333333 0.910823 O\n","nsites":8,"nelements":3,"elements":["Pb","Au","O"],"chemical_system":"Au-O-Pb","density":9.520040619615587,"density_atomic":0.05257732846007319,"volume":152.15683706856916,"volume_molar":11.453873630291366,"formula_full":"Pb2 Au2 O4","formula_reduced":"PbAuO2","formula_anonymous":"ABC2","energy":-41.36426038,"energy_per_atom":-5.1705325475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.61626038,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0097777,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.079000Z","spacegroup":194},{"id":"mp-772170","created_at":"2022-09-04T14:45:12.238766Z","structure_string":"Ca4 La4 I20\n1.0\n4.476634 0.000000 0.000000\n0.000000 15.543233 0.000000\n0.000000 0.000000 19.002774\nCa La I\n4 4 20\ndirect\n0.750000 0.746220 0.155670 Ca\n0.250000 0.246220 0.344330 Ca\n0.750000 0.753780 0.655670 Ca\n0.250000 0.253780 0.844330 Ca\n0.750000 0.239099 0.093276 La\n0.250000 0.739099 0.406724 La\n0.750000 0.260901 0.593276 La\n0.250000 0.760901 0.906724 La\n0.250000 0.361422 0.031409 I\n0.250000 0.857419 0.055253 I\n0.250000 0.610681 0.153830 I\n0.250000 0.117772 0.156747 I\n0.750000 0.344331 0.237880 I\n0.250000 0.844331 0.262120 I\n0.750000 0.617772 0.343253 I\n0.750000 0.110681 0.346170 I\n0.750000 0.357419 0.444747 I\n0.750000 0.861422 0.468591 I\n0.250000 0.138578 0.531409 I\n0.250000 0.642581 0.555253 I\n0.250000 0.889319 0.653830 I\n0.250000 0.382228 0.656747 I\n0.750000 0.155669 0.737880 I\n0.250000 0.655669 0.762120 I\n0.750000 0.882228 0.843253 I\n0.750000 0.389319 0.846170 I\n0.750000 0.142581 0.944747 I\n0.750000 0.638578 0.968591 I\n","nsites":28,"nelements":3,"elements":["Ca","La","I"],"chemical_system":"Ca-I-La","density":4.086578103183094,"density_atomic":0.021176202526522737,"volume":1322.2389597441093,"volume_molar":28.438246906910717,"formula_full":"Ca4 La4 I20","formula_reduced":"CaLaI5","formula_anonymous":"ABC5","energy":-108.16376023,"energy_per_atom":-3.862991436785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.58376023,"band_gap":2.1489000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0036378,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.841000Z","spacegroup":62},{"id":"mp-649704","created_at":"2022-09-04T14:45:12.338925Z","structure_string":"Ce9 Ni26 P12\n1.0\n7.184918 -12.444643 0.000000\n7.184918 12.444643 0.000000\n0.000000 0.000000 3.847588\nCe Ni P\n9 26 12\ndirect\n0.150127 0.575063 0.500000 Ce\n0.092430 0.907570 0.000000 Ce\n0.815140 0.907570 0.000000 Ce\n0.808847 0.617693 0.000000 Ce\n0.382307 0.191153 0.000000 Ce\n0.808847 0.191153 0.000000 Ce\n0.424937 0.849873 0.500000 Ce\n0.092430 0.184860 0.000000 Ce\n0.424937 0.575063 0.500000 Ce\n0.620472 0.671927 0.000000 Ni\n0.923381 0.377284 0.500000 Ni\n0.723340 0.446679 0.500000 Ni\n0.602329 0.397671 0.000000 Ni\n0.051455 0.671927 0.000000 Ni\n0.328073 0.948545 0.000000 Ni\n0.189421 0.378841 0.500000 Ni\n0.622716 0.076619 0.500000 Ni\n0.795342 0.397671 0.000000 Ni\n0.622716 0.546097 0.500000 Ni\n0.621159 0.810579 0.500000 Ni\n0.723340 0.276660 0.500000 Ni\n0.923381 0.546097 0.500000 Ni\n0.192770 0.096385 0.500000 Ni\n0.189421 0.810579 0.500000 Ni\n0.328073 0.379528 0.000000 Ni\n0.903615 0.096385 0.500000 Ni\n0.453903 0.076619 0.500000 Ni\n0.051455 0.379528 0.000000 Ni\n0.620472 0.948545 0.000000 Ni\n0.602329 0.204658 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n0.553321 0.276660 0.500000 Ni\n0.453903 0.377284 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.903615 0.807230 0.500000 Ni\n0.240615 0.759385 0.000000 P\n0.514972 0.485028 0.000000 P\n0.970056 0.485028 0.000000 P\n0.002552 0.277177 0.500000 P\n0.240615 0.481230 0.000000 P\n0.514972 0.029944 0.000000 P\n0.002552 0.725374 0.500000 P\n0.274626 0.997448 0.500000 P\n0.518770 0.759385 0.000000 P\n0.722823 0.725374 0.500000 P\n0.722823 0.997448 0.500000 P\n0.274626 0.277177 0.500000 P\n","nsites":47,"nelements":3,"elements":["Ce","Ni","P"],"chemical_system":"Ce-Ni-P","density":7.623292328859443,"density_atomic":0.0683085461693031,"volume":688.0544622265894,"volume_molar":8.816086855477925,"formula_full":"Ce9 Ni26 P12","formula_reduced":"Ce9(Ni13P6)2","formula_anonymous":"A9B12C26","energy":-306.91840841,"energy_per_atom":-6.530178902340425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.91840841,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.2055618,"is_theoretical":false,"updated_at":"2021-11-28T01:36:54.083000Z","spacegroup":187},{"id":"mp-677413","created_at":"2022-09-04T14:45:12.344772Z","structure_string":"K4 S2 O6\n1.0\n5.995497 3.975237 0.000000\n-5.995497 3.975237 0.000000\n0.000000 0.012898 6.291697\nK S O\n4 2 6\ndirect\n0.929554 0.083555 0.470119 K\n0.635047 0.438768 0.976771 K\n0.083555 0.929554 0.970119 K\n0.438768 0.635047 0.476771 K\n0.447125 0.128638 0.471470 S\n0.128638 0.447125 0.971470 S\n0.950527 0.287028 0.863702 O\n0.788713 0.734998 0.690386 O\n0.358679 0.217359 0.643552 O\n0.217359 0.358679 0.143552 O\n0.287028 0.950527 0.363702 O\n0.734998 0.788713 0.190386 O\n","nsites":12,"nelements":3,"elements":["K","S","O"],"chemical_system":"K-O-S","density":1.7525228720240846,"density_atomic":0.040012458340383555,"volume":299.9065915399831,"volume_molar":15.050664242546693,"formula_full":"K4 S2 O6","formula_reduced":"K2SO3","formula_anonymous":"AB2C3","energy":-58.89656588,"energy_per_atom":-4.908047156666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.77456588,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.133252,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.829000Z","spacegroup":9},{"id":"mp-1048900","created_at":"2022-09-04T14:44:18.426531Z","structure_string":"Mg4 V8 O16\n1.0\n3.023857 5.234551 -0.003583\n3.037104 -1.759310 9.892100\n6.057784 -0.005855 0.004066\nMg V O\n4 8 16\ndirect\n0.003194 0.000843 0.993660 Mg\n0.503346 0.500784 0.993401 Mg\n0.939899 0.313200 0.119644 Mg\n0.439933 0.813052 0.120144 Mg\n0.932205 0.812779 0.628059 V\n0.685571 0.060407 0.629519 V\n0.439642 0.812593 0.628111 V\n0.370455 0.122877 0.259100 V\n0.870040 0.623148 0.259722 V\n0.432628 0.312648 0.627734 V\n0.185113 0.560287 0.628712 V\n0.940036 0.312718 0.627142 V\n0.572207 0.192440 0.860301 O\n0.069694 0.692878 0.860257 O\n0.297525 0.431253 0.400222 O\n0.799663 0.930957 0.400732 O\n0.568862 0.190249 0.390767 O\n0.069539 0.688934 0.389853 O\n0.806504 0.426307 0.386738 O\n0.307177 0.925742 0.386096 O\n0.040943 0.189377 0.388128 O\n0.541339 0.689372 0.388863 O\n0.841704 0.436034 0.854649 O\n0.341966 0.936167 0.853570 O\n0.070833 0.201559 0.859448 O\n0.569801 0.701573 0.859922 O\n0.305843 0.435651 0.851911 O\n0.804324 0.936164 0.853596 O\n","nsites":28,"nelements":3,"elements":["Mg","V","O"],"chemical_system":"Mg-O-V","density":4.026565361309908,"density_atomic":0.08924955609399352,"volume":313.7270505918449,"volume_molar":6.74753021029904,"formula_full":"Mg4 V8 O16","formula_reduced":"MgV2O4","formula_anonymous":"AB2C4","energy":-233.28306166,"energy_per_atom":-8.331537916428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.69106166,"band_gap":1.4609000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9710474,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.650000Z","spacegroup":160}]}