{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=39","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=37","results":[{"id":"mp-1207035","created_at":"2022-09-04T14:43:43.528186Z","structure_string":"Zr2 Si1 Te2\n1.0\n3.028075 0.000000 0.000000\n0.000000 3.028075 0.000000\n0.000000 0.000000 15.376183\nZr Si Te\n2 1 2\ndirect\n0.500000 0.500000 0.173181 Zr\n0.500000 0.500000 0.826819 Zr\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.635014 Te\n0.500000 0.500000 0.364986 Te\n","nsites":5,"nelements":3,"elements":["Zr","Si","Te"],"chemical_system":"Si-Te-Zr","density":5.485355521555922,"density_atomic":0.035464040144061654,"volume":140.98788462028162,"volume_molar":16.980977732759502,"formula_full":"Zr2 Si1 Te2","formula_reduced":"Zr2SiTe2","formula_anonymous":"AB2C2","energy":-27.927144420000005,"energy_per_atom":-5.585428884000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.15414442,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1047836,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.055000Z","spacegroup":123},{"id":"mp-1095464","created_at":"2022-09-04T14:43:43.849822Z","structure_string":"Y4 Al4 Pd4\n1.0\n4.486803 0.000000 0.000000\n0.000000 6.898590 0.000000\n0.000000 0.000000 7.796973\nY Al Pd\n4 4 4\ndirect\n0.250000 0.033089 0.320298 Y\n0.250000 0.533089 0.179702 Y\n0.750000 0.966911 0.679702 Y\n0.750000 0.466911 0.820298 Y\n0.250000 0.145601 0.939494 Al\n0.250000 0.645601 0.560506 Al\n0.750000 0.854399 0.060506 Al\n0.750000 0.354399 0.439494 Al\n0.250000 0.273786 0.619910 Pd\n0.250000 0.773786 0.880090 Pd\n0.750000 0.726214 0.380090 Pd\n0.750000 0.226214 0.119910 Pd\n","nsites":12,"nelements":3,"elements":["Y","Al","Pd"],"chemical_system":"Al-Pd-Y","density":6.118424699875269,"density_atomic":0.04972306366003008,"volume":241.3366980370964,"volume_molar":12.111363051108418,"formula_full":"Y4 Al4 Pd4","formula_reduced":"YAlPd","formula_anonymous":"ABC","energy":-72.1711463,"energy_per_atom":-6.014262191666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.1711463,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001966,"is_theoretical":false,"updated_at":"2021-11-28T01:36:19.340000Z","spacegroup":62},{"id":"mp-1110627","created_at":"2022-09-04T14:43:42.951996Z","structure_string":"Rb1 Na2 Al1 F6\n1.0\n0.000000 4.411911 4.411911\n4.411911 0.000000 4.411911\n4.411911 4.411911 0.000000\nRb Na Al F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.792924 0.207076 0.207076 F\n0.207076 0.207076 0.792924 F\n0.207076 0.792924 0.792924 F\n0.207076 0.792924 0.207076 F\n0.792924 0.207076 0.792924 F\n0.792924 0.792924 0.207076 F\n","nsites":10,"nelements":4,"elements":["Rb","Na","Al","F"],"chemical_system":"Al-F-Na-Rb","density":2.6337632877582493,"density_atomic":0.05822235599611014,"volume":171.7553305583873,"volume_molar":10.343347769029378,"formula_full":"Rb1 Na2 Al1 F6","formula_reduced":"RbNa2AlF6","formula_anonymous":"ABC2D6","energy":-50.78674857,"energy_per_atom":-5.078674857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.01474857000001,"band_gap":4.8591,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025416,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.329000Z","spacegroup":225},{"id":"mp-976891","created_at":"2022-09-04T14:43:42.959526Z","structure_string":"Mg1 Pb5\n1.0\n1.765748 -8.974343 0.000000\n1.765748 8.974343 0.000000\n0.000000 0.000000 5.770747\nMg Pb\n1 5\ndirect\n0.777691 0.222309 0.000000 Mg\n0.000496 0.999504 0.500000 Pb\n0.330650 0.669350 0.500000 Pb\n0.668214 0.331786 0.500000 Pb\n0.438101 0.561899 0.000000 Pb\n0.118172 0.881828 0.000000 Pb\n","nsites":6,"nelements":2,"elements":["Mg","Pb"],"chemical_system":"Mg-Pb","density":9.626900639332916,"density_atomic":0.03280634388367398,"volume":182.89145603286468,"volume_molar":18.356634867187708,"formula_full":"Mg1 Pb5","formula_reduced":"MgPb5","formula_anonymous":"AB5","energy":-19.88888225,"energy_per_atom":-3.3148137083333338,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.88888225,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001018,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.734000Z","spacegroup":38},{"id":"mp-1186700","created_at":"2022-09-04T14:43:42.970006Z","structure_string":"Pr6 Br2\n1.0\n3.608214 -6.249610 0.000000\n3.608214 6.249610 0.000000\n0.000000 0.000000 5.597815\nPr Br\n6 2\ndirect\n0.169485 0.338971 0.250000 Pr\n0.661029 0.830515 0.250000 Pr\n0.169485 0.830515 0.250000 Pr\n0.830515 0.661029 0.750000 Pr\n0.338971 0.169485 0.750000 Pr\n0.830515 0.169485 0.750000 Pr\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n","nsites":8,"nelements":2,"elements":["Pr","Br"],"chemical_system":"Br-Pr","density":6.611973787037942,"density_atomic":0.03168810336233112,"volume":252.46067612585207,"volume_molar":19.00442159993316,"formula_full":"Pr6 Br2","formula_reduced":"Pr3Br","formula_anonymous":"AB3","energy":-34.16404238,"energy_per_atom":-4.2705052975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.09604238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003695,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.130000Z","spacegroup":194},{"id":"mp-1296460","created_at":"2022-09-04T14:43:43.073220Z","structure_string":"Li8 Si4 Ni4 O16\n1.0\n-0.149013 5.225838 -0.049110\n0.249465 -0.014307 12.534017\n5.366232 -0.093967 0.053934\nLi Si Ni O\n8 4 4 16\ndirect\n0.189896 0.374186 0.173459 Li\n0.188523 0.873981 0.171385 Li\n0.810083 0.125995 0.824832 Li\n0.810913 0.626180 0.824386 Li\n0.687410 0.246410 0.318434 Li\n0.692360 0.745337 0.311664 Li\n0.313076 0.005082 0.687355 Li\n0.311718 0.504284 0.685936 Li\n0.175627 0.124254 0.177482 Si\n0.181408 0.623663 0.170756 Si\n0.818843 0.376542 0.828561 Si\n0.824053 0.875848 0.822220 Si\n0.685738 0.494580 0.329124 Ni\n0.316517 0.754357 0.666418 Ni\n0.680435 0.993250 0.323060 Ni\n0.310691 0.254206 0.672835 Ni\n0.782891 0.374209 0.132331 O\n0.789092 0.873058 0.126693 O\n0.210329 0.127904 0.871854 O\n0.216816 0.628092 0.865383 O\n0.861803 0.122632 0.210106 O\n0.867487 0.621455 0.201259 O\n0.133173 0.376688 0.801741 O\n0.138557 0.876362 0.797101 O\n0.302819 0.014874 0.307082 O\n0.307118 0.514422 0.303332 O\n0.692528 0.269343 0.696861 O\n0.698647 0.768972 0.688428 O\n0.305951 0.230764 0.306953 O\n0.309732 0.730528 0.300780 O\n0.694334 0.486717 0.701089 O\n0.697027 0.985832 0.695510 O\n","nsites":32,"nelements":4,"elements":["Li","Si","Ni","O"],"chemical_system":"Li-Ni-O-Si","density":3.1137554763242954,"density_atomic":0.09110479581497882,"volume":351.2438583912482,"volume_molar":6.610124863492511,"formula_full":"Li8 Si4 Ni4 O16","formula_reduced":"Li2SiNiO4","formula_anonymous":"ABC2D4","energy":-217.14999875,"energy_per_atom":-6.7859374609375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.99399875,"band_gap":3.767300000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.1e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.549000Z","spacegroup":1},{"id":"mp-1099249","created_at":"2022-09-04T14:43:43.120673Z","structure_string":"Mg3 Cu1 O4\n1.0\n4.248913 0.000000 0.000000\n0.000000 4.248913 0.000000\n0.000000 0.000000 4.248913\nMg Cu O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":8,"nelements":3,"elements":["Mg","Cu","O"],"chemical_system":"Cu-Mg-O","density":4.339505812980477,"density_atomic":0.10429331480370595,"volume":76.70673825122039,"volume_molar":5.774234687366568,"formula_full":"Mg3 Cu1 O4","formula_reduced":"Mg3CuO4","formula_anonymous":"AB3C4","energy":-48.74125777,"energy_per_atom":-6.09265722125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.99325777,"band_gap":0.4478999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063967,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.651000Z","spacegroup":221},{"id":"mp-1196392","created_at":"2022-09-04T14:43:43.197671Z","structure_string":"Li8 B8 H40 N8\n1.0\n5.194237 0.000000 0.000000\n0.000000 7.139212 0.000000\n0.000000 0.000000 14.033371\nLi B H N\n8 8 40 8\ndirect\n0.064198 0.451300 0.177283 Li\n0.935802 0.951300 0.322717 Li\n0.435802 0.548700 0.677283 Li\n0.564198 0.048700 0.822717 Li\n0.935802 0.548700 0.822717 Li\n0.064198 0.048700 0.677283 Li\n0.564198 0.451300 0.322717 Li\n0.435802 0.951300 0.177283 Li\n0.533156 0.594883 0.153871 B\n0.466844 0.094883 0.346129 B\n0.966844 0.405117 0.653871 B\n0.033156 0.905117 0.846129 B\n0.466844 0.405117 0.846129 B\n0.533156 0.905117 0.653871 B\n0.033156 0.594883 0.346129 B\n0.966844 0.094883 0.153871 B\n0.354684 0.677494 0.111989 H\n0.645316 0.177494 0.388011 H\n0.145316 0.322506 0.611989 H\n0.854684 0.822506 0.888011 H\n0.645316 0.322506 0.888011 H\n0.354684 0.822506 0.611989 H\n0.854684 0.677494 0.388011 H\n0.145316 0.177494 0.111989 H\n0.584594 0.685599 0.226289 H\n0.415406 0.185599 0.273711 H\n0.915406 0.314401 0.726289 H\n0.084594 0.814401 0.773711 H\n0.415406 0.314401 0.773711 H\n0.584594 0.814401 0.726289 H\n0.084594 0.685599 0.273711 H\n0.915406 0.185599 0.226289 H\n0.446960 0.441102 0.180293 H\n0.553040 0.941102 0.319707 H\n0.053040 0.558898 0.680293 H\n0.946960 0.058898 0.819707 H\n0.553040 0.558898 0.819707 H\n0.446960 0.058898 0.680293 H\n0.946960 0.441102 0.319707 H\n0.053040 0.941102 0.180293 H\n0.858927 0.688368 0.074447 H\n0.141073 0.188368 0.425553 H\n0.641073 0.311632 0.574447 H\n0.358927 0.811632 0.925553 H\n0.141073 0.311632 0.925553 H\n0.858927 0.811632 0.574447 H\n0.358927 0.688368 0.425553 H\n0.641073 0.188368 0.074447 H\n0.747561 0.493593 0.032301 H\n0.252439 0.993593 0.467699 H\n0.752439 0.506407 0.532301 H\n0.247561 0.006407 0.967699 H\n0.252439 0.506407 0.967699 H\n0.747561 0.006407 0.532301 H\n0.247561 0.493593 0.467699 H\n0.752439 0.993593 0.032301 H\n0.781963 0.563223 0.094790 N\n0.218037 0.063223 0.405210 N\n0.718037 0.436777 0.594790 N\n0.281963 0.936777 0.905210 N\n0.218037 0.436777 0.905210 N\n0.781963 0.936777 0.594790 N\n0.281963 0.563223 0.405210 N\n0.718037 0.063223 0.094790 N\n","nsites":64,"nelements":4,"elements":["Li","B","H","N"],"chemical_system":"B-H-Li-N","density":0.9393641321534132,"density_atomic":0.1229832390686123,"volume":520.396116452051,"volume_molar":4.89671666286188,"formula_full":"Li8 B8 H40 N8","formula_reduced":"LiBH5N","formula_anonymous":"ABCD5","energy":-299.19163884,"energy_per_atom":-4.674869356875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.30363884,"band_gap":4.1364,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.925000Z","spacegroup":61},{"id":"mp-1247682","created_at":"2022-09-04T14:43:43.506792Z","structure_string":"Sr4 Ca28 Mn32 O80\n1.0\n11.056363 -0.028542 -0.142190\n-0.036432 15.359036 -0.006431\n-0.139422 0.000189 11.181829\nSr Ca Mn O\n4 28 32 80\ndirect\n0.006450 0.116394 0.504414 Sr\n0.514119 0.376366 0.988847 Sr\n0.240483 0.387048 0.264173 Sr\n0.229944 0.120788 0.249902 Sr\n0.002420 0.109452 0.007090 Ca\n0.003359 0.611481 0.507876 Ca\n0.000819 0.612137 0.009947 Ca\n0.541232 0.129287 0.479962 Ca\n0.545046 0.128642 0.979960 Ca\n0.543122 0.629723 0.481778 Ca\n0.544128 0.628605 0.982623 Ca\n0.516814 0.373484 0.490306 Ca\n0.516631 0.872526 0.988629 Ca\n0.518130 0.873819 0.489472 Ca\n0.961377 0.383980 0.005479 Ca\n0.957874 0.383523 0.503897 Ca\n0.958095 0.882065 0.005875 Ca\n0.959271 0.883394 0.504650 Ca\n0.232365 0.395129 0.766228 Ca\n0.231914 0.892231 0.273721 Ca\n0.231855 0.891104 0.770614 Ca\n0.760531 0.377725 0.258492 Ca\n0.756854 0.373548 0.756617 Ca\n0.755935 0.874037 0.258277 Ca\n0.752431 0.874663 0.754509 Ca\n0.228525 0.117310 0.751236 Ca\n0.227777 0.620256 0.244478 Ca\n0.224891 0.621084 0.746370 Ca\n0.776796 0.122547 0.250620 Ca\n0.783385 0.122385 0.753948 Ca\n0.781508 0.622782 0.253434 Ca\n0.780908 0.622304 0.754129 Ca\n0.991716 0.995200 0.253306 Mn\n0.994623 0.994096 0.756652 Mn\n0.996405 0.497696 0.255694 Mn\n0.993440 0.496549 0.754198 Mn\n0.505898 0.987926 0.230182 Mn\n0.506944 0.990109 0.736478 Mn\n0.508732 0.496748 0.236338 Mn\n0.502265 0.492665 0.732380 Mn\n0.242780 0.997744 0.017953 Mn\n0.248616 0.997261 0.526197 Mn\n0.241944 0.504103 0.017516 Mn\n0.243130 0.502467 0.520878 Mn\n0.744840 0.000966 0.996036 Mn\n0.743878 0.002503 0.497373 Mn\n0.748750 0.503350 0.998238 Mn\n0.743795 0.502833 0.499130 Mn\n0.268310 0.244990 0.955526 Mn\n0.271504 0.247080 0.476767 Mn\n0.270298 0.744031 0.960017 Mn\n0.272764 0.742999 0.460696 Mn\n0.759210 0.246907 0.002516 Mn\n0.753071 0.247884 0.503950 Mn\n0.757071 0.747268 0.002689 Mn\n0.756583 0.746838 0.503319 Mn\n0.989750 0.252991 0.262584 Mn\n0.996683 0.252930 0.762739 Mn\n0.995036 0.752466 0.262187 Mn\n0.993523 0.752588 0.760264 Mn\n0.516491 0.251599 0.251947 Mn\n0.513472 0.247332 0.748618 Mn\n0.513668 0.746534 0.250254 Mn\n0.513504 0.746107 0.750715 Mn\n0.591951 0.250613 0.097409 O\n0.589585 0.254831 0.594075 O\n0.588576 0.755342 0.093200 O\n0.587928 0.755094 0.593534 O\n0.400275 0.201076 0.358068 O\n0.402122 0.187086 0.852213 O\n0.399810 0.682300 0.350531 O\n0.399324 0.684107 0.852898 O\n0.893806 0.239521 0.411084 O\n0.908198 0.233210 0.918330 O\n0.905563 0.733582 0.418425 O\n0.906123 0.733947 0.917860 O\n0.143376 0.248789 0.342930 O\n0.165747 0.254547 0.800719 O\n0.162130 0.752634 0.310494 O\n0.159833 0.752814 0.809979 O\n0.656004 0.226362 0.357015 O\n0.659181 0.228961 0.854772 O\n0.659803 0.727171 0.356129 O\n0.659564 0.725455 0.856360 O\n0.856966 0.273568 0.149078 O\n0.859828 0.271268 0.648314 O\n0.856802 0.772999 0.149704 O\n0.855679 0.773129 0.649913 O\n0.357157 0.514252 0.155550 O\n0.345368 0.511325 0.666578 O\n0.349949 0.002490 0.160679 O\n0.347599 0.002224 0.675795 O\n0.858072 0.483943 0.145003 O\n0.847024 0.481413 0.640509 O\n0.845748 0.979994 0.136204 O\n0.856313 0.982522 0.645717 O\n0.154212 0.005958 0.380108 O\n0.146759 0.007292 0.870744 O\n0.150748 0.512100 0.369589 O\n0.150941 0.511935 0.870096 O\n0.623809 0.026616 0.342475 O\n0.633621 0.026457 0.845142 O\n0.633071 0.527714 0.349336 O\n0.625269 0.521435 0.848449 O\n0.880010 0.013897 0.387446 O\n0.886063 0.015555 0.893599 O\n0.886414 0.516226 0.393882 O\n0.886325 0.518135 0.891385 O\n0.098795 0.475899 0.122128 O\n0.095858 0.471539 0.621799 O\n0.098380 0.971730 0.123695 O\n0.099981 0.968884 0.626484 O\n0.604998 0.499314 0.093863 O\n0.591117 0.496593 0.585019 O\n0.592646 0.994994 0.082398 O\n0.592055 0.996258 0.585887 O\n0.990821 0.377479 0.294985 O\n0.990738 0.375324 0.799027 O\n0.991837 0.874381 0.297673 O\n0.989692 0.874992 0.799944 O\n0.481159 0.377237 0.280418 O\n0.470659 0.372273 0.770650 O\n0.477398 0.872654 0.285596 O\n0.485133 0.872370 0.784640 O\n0.995858 0.127435 0.219743 O\n0.003071 0.125574 0.728328 O\n0.999785 0.627114 0.221426 O\n0.998332 0.627759 0.717883 O\n0.220006 0.131147 0.030194 O\n0.239192 0.128612 0.545159 O\n0.215556 0.633839 0.038413 O\n0.218308 0.632311 0.539759 O\n0.752678 0.123736 0.038953 O\n0.751310 0.125843 0.541351 O\n0.754540 0.626942 0.041464 O\n0.750654 0.625346 0.543769 O\n0.300532 0.379266 0.493451 O\n0.285969 0.377117 0.988243 O\n0.301410 0.874956 0.489315 O\n0.298278 0.876076 0.981076 O\n0.738076 0.376831 0.466443 O\n0.748051 0.375114 0.966510 O\n0.741369 0.874792 0.467344 O\n0.740379 0.875270 0.962240 O\n","nsites":144,"nelements":4,"elements":["Sr","Ca","Mn","O"],"chemical_system":"Ca-Mn-O-Sr","density":3.9452074727862834,"density_atomic":0.07584827469575092,"volume":1898.5270341036114,"volume_molar":7.93972016391477,"formula_full":"Sr4 Ca28 Mn32 O80","formula_reduced":"SrCa7Mn8O20","formula_anonymous":"AB7C8D20","energy":-1115.02785611,"energy_per_atom":-7.743249000763888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1006.69185611,"band_gap":0.0909999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":128.0000674,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.980000Z","spacegroup":1},{"id":"mp-1223066","created_at":"2022-09-04T14:43:43.531232Z","structure_string":"La4 Mn3 Sb8\n1.0\n-3.133899 3.133899 10.694659\n3.133899 -3.133899 10.694659\n3.133899 3.133899 -10.694659\nLa Mn Sb\n4 3 8\ndirect\n0.620644 0.119415 0.000000 La\n0.119415 0.620644 0.000000 La\n0.880585 0.880585 0.501229 La\n0.379356 0.379356 0.498771 La\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.250062 0.250062 0.000000 Sb\n0.749938 0.749938 0.000000 Sb\n0.250000 0.750000 0.500000 Sb\n0.750000 0.250000 0.500000 Sb\n0.325856 0.822150 0.000000 Sb\n0.822150 0.325856 0.000000 Sb\n0.177850 0.177850 0.503706 Sb\n0.674144 0.674144 0.496294 Sb\n","nsites":15,"nelements":3,"elements":["La","Mn","Sb"],"chemical_system":"La-Mn-Sb","density":6.697270659783821,"density_atomic":0.035702147053748044,"volume":420.1427991828656,"volume_molar":16.86772717319753,"formula_full":"La4 Mn3 Sb8","formula_reduced":"La4Mn3Sb8","formula_anonymous":"A3B4C8","energy":-91.48259848,"energy_per_atom":-6.098839898666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.94659848,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.8627929,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.970000Z","spacegroup":121},{"id":"mp-1216143","created_at":"2022-09-04T14:43:43.582729Z","structure_string":"Y2 Mg3 Zn3\n1.0\n8.165751 -2.458756 0.000000\n8.165751 2.458756 0.000000\n7.425405 0.000000 4.193844\nY Mg Zn\n2 3 3\ndirect\n0.993602 0.993602 0.993602 Y\n0.505555 0.505555 0.505555 Y\n0.753487 0.753487 0.753487 Mg\n0.247491 0.247491 0.247491 Mg\n0.376585 0.376585 0.376585 Mg\n0.873868 0.873868 0.873868 Zn\n0.120000 0.120000 0.120000 Zn\n0.629413 0.629413 0.629413 Zn\n","nsites":8,"nelements":3,"elements":["Y","Mg","Zn"],"chemical_system":"Mg-Y-Zn","density":4.407149686539323,"density_atomic":0.047504653429474235,"volume":168.40455455331045,"volume_molar":12.67694915181418,"formula_full":"Y2 Mg3 Zn3","formula_reduced":"Y2(MgZn)3","formula_anonymous":"A2B3C3","energy":-23.69869989,"energy_per_atom":-2.96233748625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.69869989,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.38e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.985000Z","spacegroup":160},{"id":"mp-581533","created_at":"2022-09-04T14:43:40.797493Z","structure_string":"Cs28 In16 Bi24\n1.0\n10.454297 0.000000 0.000000\n-0.045260 10.497275 0.000000\n-0.425700 -2.267037 28.152236\nCs In Bi\n28 16 24\ndirect\n0.518904 0.473928 0.075349 Cs\n0.625939 0.196591 0.178308 Cs\n0.954799 0.339722 0.088638 Cs\n0.301847 0.147983 0.419119 Cs\n0.481096 0.526072 0.924651 Cs\n0.817609 0.571956 0.329469 Cs\n0.374061 0.803409 0.821692 Cs\n0.747870 0.906758 0.256588 Cs\n0.982670 0.256503 0.249980 Cs\n0.252130 0.093242 0.743412 Cs\n0.100297 0.744700 0.584493 Cs\n0.881476 0.305785 0.768300 Cs\n0.182391 0.428044 0.670531 Cs\n0.899703 0.255300 0.415507 Cs\n0.716052 0.900807 0.911517 Cs\n0.653668 0.929540 0.415123 Cs\n0.832044 0.299894 0.928396 Cs\n0.045201 0.660278 0.911362 Cs\n0.017330 0.743497 0.750020 Cs\n0.283948 0.099193 0.088483 Cs\n0.520975 0.488392 0.425893 Cs\n0.675447 0.967175 0.737803 Cs\n0.479025 0.511608 0.574107 Cs\n0.346332 0.070460 0.584877 Cs\n0.698153 0.852017 0.580881 Cs\n0.324553 0.032825 0.262197 Cs\n0.118524 0.694215 0.231700 Cs\n0.167956 0.700106 0.071604 Cs\n0.772628 0.757209 0.128337 In\n0.450149 0.139553 0.958836 In\n0.901641 0.962962 0.035339 In\n0.499018 0.602479 0.204561 In\n0.965375 0.107715 0.537343 In\n0.134221 0.537628 0.454855 In\n0.549851 0.860447 0.041164 In\n0.865779 0.462372 0.545145 In\n0.500982 0.397521 0.795439 In\n0.235957 0.732215 0.364754 In\n0.416917 0.412612 0.294246 In\n0.098359 0.037038 0.964661 In\n0.764043 0.267785 0.635246 In\n0.034625 0.892285 0.462657 In\n0.227372 0.242791 0.871663 In\n0.583083 0.587388 0.705754 In\n0.610414 0.228202 0.322979 Bi\n0.863110 0.645438 0.466239 Bi\n0.308307 0.778812 0.470682 Bi\n0.304491 0.388578 0.191741 Bi\n0.777865 0.539731 0.189855 Bi\n0.222135 0.460269 0.810145 Bi\n0.479894 0.707419 0.308539 Bi\n0.389586 0.771798 0.677021 Bi\n0.215148 0.312488 0.979965 Bi\n0.136890 0.354562 0.533761 Bi\n0.655201 0.132501 0.037420 Bi\n0.025872 0.921990 0.356067 Bi\n0.974128 0.078010 0.643933 Bi\n0.165520 0.449323 0.351100 Bi\n0.784852 0.687512 0.020035 Bi\n0.834480 0.550677 0.648900 Bi\n0.695509 0.611422 0.808259 Bi\n0.344799 0.867499 0.962580 Bi\n0.520106 0.292581 0.691461 Bi\n0.509428 0.162449 0.854494 Bi\n0.039654 0.024958 0.859181 Bi\n0.490572 0.837551 0.145506 Bi\n0.960346 0.975042 0.140819 Bi\n0.691693 0.221188 0.529318 Bi\n","nsites":68,"nelements":3,"elements":["Cs","In","Bi"],"chemical_system":"Bi-Cs-In","density":5.683330061503176,"density_atomic":0.02201023145475508,"volume":3089.47228200589,"volume_molar":27.360642582879244,"formula_full":"Cs28 In16 Bi24","formula_reduced":"Cs7(In2Bi3)2","formula_anonymous":"A4B6C7","energy":-185.28976449,"energy_per_atom":-2.724849477794118,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.28976449,"band_gap":0.3083,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0572049,"is_theoretical":false,"updated_at":"2021-11-28T01:36:23.926000Z","spacegroup":2}]}