{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=68","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=66","results":[{"id":"mp-1045991","created_at":"2022-09-04T14:48:29.010800Z","structure_string":"Sr2 Y1 Tl1 W2 O7\n1.0\n2.835135 -2.986124 0.000000\n2.835135 2.986124 0.000000\n0.000000 0.000000 12.660455\nSr Y Tl W O\n2 1 1 2 7\ndirect\n0.518993 0.481007 0.683130 Sr\n0.518993 0.481007 0.316870 Sr\n0.537112 0.462888 0.000000 Y\n0.012730 0.987270 0.500000 Tl\n0.007881 0.992119 0.867589 W\n0.007881 0.992119 0.132411 W\n0.498704 0.988810 0.882376 O\n0.011190 0.501296 0.882376 O\n0.498704 0.988810 0.117624 O\n0.011190 0.501296 0.117624 O\n0.933279 0.066721 0.710497 O\n0.933279 0.066721 0.289503 O\n0.516965 0.483035 0.500000 O\n","nsites":13,"nelements":5,"elements":["Sr","Y","Tl","W","O"],"chemical_system":"O-Sr-Tl-W-Y","density":7.344976736516027,"density_atomic":0.06064324905914483,"volume":214.36846148070353,"volume_molar":9.930438842626419,"formula_full":"Sr2 Y1 Tl1 W2 O7","formula_reduced":"Sr2YTlW2O7","formula_anonymous":"ABC2D2E7","energy":-101.23505372,"energy_per_atom":-7.787311824615385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.55005372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9997106,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.546000Z","spacegroup":38},{"id":"mp-1215448","created_at":"2022-09-04T14:48:29.004905Z","structure_string":"Zn2 Pd1 Au1\n1.0\n3.157265 0.000000 0.000000\n0.000000 3.157265 0.000000\n0.000000 0.000000 6.169713\nZn Pd Au\n2 1 1\ndirect\n0.500000 0.500000 0.263414 Zn\n0.500000 0.500000 0.736586 Zn\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Zn","Pd","Au"],"chemical_system":"Au-Pd-Zn","density":11.723477490134188,"density_atomic":0.06503886573950593,"volume":61.50168756049383,"volume_molar":9.25929548667087,"formula_full":"Zn2 Pd1 Au1","formula_reduced":"Zn2PdAu","formula_anonymous":"ABC2","energy":-12.53116618,"energy_per_atom":-3.132791545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.53116618,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012304,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.942000Z","spacegroup":123},{"id":"mp-1226640","created_at":"2022-09-04T14:48:29.003194Z","structure_string":"Ce1 U1 Pt8 Au2\n1.0\n8.867762 -2.676815 0.000000\n8.867762 2.676815 0.000000\n8.059741 0.000000 4.565426\nCe U Pt Au\n1 1 8 2\ndirect\n0.999915 0.999915 0.999915 Ce\n0.500152 0.500152 0.500152 U\n0.436850 0.936579 0.436850 Pt\n0.936928 0.440407 0.936928 Pt\n0.436850 0.436850 0.936579 Pt\n0.936928 0.936928 0.440407 Pt\n0.187701 0.187701 0.187701 Pt\n0.687616 0.687616 0.687616 Pt\n0.936579 0.436850 0.436850 Pt\n0.440407 0.936928 0.936928 Pt\n0.874844 0.874844 0.874844 Au\n0.375231 0.375231 0.375231 Au\n","nsites":12,"nelements":4,"elements":["Ce","U","Pt","Au"],"chemical_system":"Au-Ce-Pt-U","density":17.872018902941868,"density_atomic":0.05536528714426103,"volume":216.74230585551794,"volume_molar":10.877105620907509,"formula_full":"Ce1 U1 Pt8 Au2","formula_reduced":"CeU(Pt4Au)2","formula_anonymous":"ABC2D8","energy":-84.33672491,"energy_per_atom":-7.028060409166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.33672491,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0581515,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.287000Z","spacegroup":160},{"id":"mp-760936","created_at":"2022-09-04T14:48:29.003062Z","structure_string":"Co6 O7 F5\n1.0\n8.944991 0.000000 0.000000\n0.000000 4.536673 0.000000\n0.000000 0.333459 4.542104\nCo O F\n6 7 5\ndirect\n0.173683 0.984152 0.991949 Co\n0.826317 0.984152 0.991949 Co\n0.500000 0.010141 0.962254 Co\n0.000000 0.486567 0.495837 Co\n0.328588 0.514049 0.525709 Co\n0.671412 0.514049 0.525709 Co\n0.339716 0.814578 0.807658 O\n0.660284 0.814578 0.807658 O\n0.834705 0.300757 0.697497 O\n0.165295 0.300757 0.697497 O\n0.500000 0.317281 0.695791 O\n0.165493 0.686532 0.310584 O\n0.834507 0.686532 0.310584 O\n0.000000 0.789915 0.799861 F\n0.500000 0.713611 0.300964 F\n0.000000 0.175843 0.185673 F\n0.342824 0.203253 0.196413 F\n0.657176 0.203253 0.196413 F\n","nsites":18,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":5.050305502260332,"density_atomic":0.09765580096257201,"volume":184.32084753366325,"volume_molar":6.1667004936123275,"formula_full":"Co6 O7 F5","formula_reduced":"Co6O7F5","formula_anonymous":"A5B6C7","energy":-113.80960898,"energy_per_atom":-6.322756054444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.86260898,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.5741675,"is_theoretical":true,"updated_at":"2021-11-28T01:39:42.589000Z","spacegroup":6},{"id":"mp-9366","created_at":"2022-09-04T14:48:29.002289Z","structure_string":"Rb1 Ho1 S2\n1.0\n7.766042 -2.031758 0.000000\n7.766042 2.031758 0.000000\n7.234492 0.000000 3.478732\nRb Ho S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ho\n0.769660 0.769660 0.769660 S\n0.230340 0.230340 0.230340 S\n","nsites":4,"nelements":3,"elements":["Rb","Ho","S"],"chemical_system":"Ho-Rb-S","density":4.757577759763591,"density_atomic":0.03643655512371093,"volume":109.77986218562734,"volume_molar":16.527744567381227,"formula_full":"Rb1 Ho1 S2","formula_reduced":"RbHoS2","formula_anonymous":"ABC2","energy":-22.2270111,"energy_per_atom":-5.556752775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.2210111,"band_gap":2.3527,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:39:24.064000Z","spacegroup":166},{"id":"mp-1249333","created_at":"2022-09-04T14:48:29.001562Z","structure_string":"Mg10 Al8 Fe2 Si12 O48\n1.0\n7.080521 0.645228 -2.870675\n-0.242375 14.032935 -5.580031\n0.034628 0.150583 9.129192\nMg Al Fe Si O\n10 8 2 12 48\ndirect\n0.008811 0.981372 0.955824 Mg\n0.996854 0.292662 0.124459 Mg\n0.007592 0.795496 0.101169 Mg\n0.343054 0.145298 0.595808 Mg\n0.342055 0.620986 0.611832 Mg\n0.606741 0.515281 0.057966 Mg\n0.729865 0.428120 0.514185 Mg\n0.775364 0.925027 0.529205 Mg\n0.719868 0.123005 0.466696 Mg\n0.690062 0.620153 0.456597 Mg\n0.111087 0.070124 0.709922 Al\n0.094684 0.567802 0.726055 Al\n0.425343 0.420328 0.216400 Al\n0.452780 0.927483 0.207892 Al\n0.604711 0.347577 0.730586 Al\n0.603606 0.841762 0.699501 Al\n0.772467 0.174803 0.216916 Al\n0.894106 0.673493 0.222982 Al\n0.985342 0.463076 0.958849 Fe\n0.615823 0.988286 0.994943 Fe\n0.957940 0.276631 0.640085 Si\n0.972224 0.768385 0.624346 Si\n0.294469 0.397637 0.491610 Si\n0.313943 0.912506 0.474490 Si\n0.328365 0.114329 0.109826 Si\n0.282215 0.605360 0.128192 Si\n0.700685 0.082442 0.788178 Si\n0.703835 0.578630 0.800598 Si\n0.553890 0.283776 0.981117 Si\n0.564717 0.772100 0.979012 Si\n0.903922 0.472475 0.315923 Si\n0.915671 0.977092 0.290344 Si\n0.110016 0.184530 0.666679 O\n0.115491 0.678402 0.674667 O\n0.037406 0.379050 0.749818 O\n0.021630 0.874259 0.744986 O\n0.082239 0.382324 0.357465 O\n0.109460 0.894243 0.324401 O\n0.286484 0.019271 0.597771 O\n0.279784 0.502643 0.626378 O\n0.175531 0.193962 0.163202 O\n0.115332 0.682535 0.184645 O\n0.311672 0.072729 0.911523 O\n0.277655 0.575346 0.935223 O\n0.376613 0.827861 0.558003 O\n0.386401 0.311959 0.575128 O\n0.559585 0.372208 0.916633 O\n0.576847 0.843944 0.883197 O\n0.439962 0.400566 0.397844 O\n0.476627 0.907583 0.391945 O\n0.600029 0.080715 0.583152 O\n0.590663 0.574653 0.589224 O\n0.287334 0.016513 0.140860 O\n0.247851 0.506210 0.154641 O\n0.383499 0.312432 0.056839 O\n0.396845 0.816662 0.057158 O\n0.538331 0.186883 0.822262 O\n0.526712 0.667501 0.839545 O\n0.681010 0.455393 0.740951 O\n0.670968 0.957723 0.735276 O\n0.551893 0.142121 0.224266 O\n0.498751 0.628612 0.237979 O\n0.660121 0.455679 0.267290 O\n0.678678 0.959178 0.237097 O\n0.780496 0.256546 0.687878 O\n0.762625 0.750297 0.627301 O\n0.926932 0.008396 0.504979 O\n0.914047 0.510474 0.523685 O\n0.900977 0.422648 0.112479 O\n0.910034 0.926276 0.080706 O\n0.932045 0.079174 0.811814 O\n0.914971 0.602234 0.824484 O\n0.752982 0.266218 0.124709 O\n0.772341 0.762967 0.115101 O\n0.753758 0.087687 0.996229 O\n0.775654 0.579285 0.012193 O\n0.923353 0.090727 0.314485 O\n0.896525 0.586281 0.322058 O\n0.842738 0.273854 0.442852 O\n0.917009 0.769753 0.431488 O\n","nsites":80,"nelements":5,"elements":["Mg","Al","Fe","Si","O"],"chemical_system":"Al-Fe-Mg-O-Si","density":3.038087973041759,"density_atomic":0.0873521507512709,"volume":915.8332028686319,"volume_molar":6.8940955754456725,"formula_full":"Mg10 Al8 Fe2 Si12 O48","formula_reduced":"Mg5Al4Fe(SiO4)6","formula_anonymous":"AB4C5D6E24","energy":-605.3717619399999,"energy_per_atom":-7.56714702425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-567.88376194,"band_gap":3.1718999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998753,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.094000Z","spacegroup":1},{"id":"mp-1169","created_at":"2022-09-04T14:48:28.999592Z","structure_string":"Sc1 Cu1\n1.0\n3.255379 0.000000 0.000000\n0.000000 3.255379 0.000000\n0.000000 0.000000 3.255379\nSc Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Cu\n","nsites":2,"nelements":2,"elements":["Sc","Cu"],"chemical_system":"Cu-Sc","density":5.222540493654108,"density_atomic":0.05797293966295023,"volume":34.498854321133805,"volume_molar":10.387847839030101,"formula_full":"Sc1 Cu1","formula_reduced":"ScCu","formula_anonymous":"AB","energy":-10.99326633,"energy_per_atom":-5.496633165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.99326633,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015108,"is_theoretical":false,"updated_at":"2021-11-28T01:39:40.914000Z","spacegroup":221},{"id":"mp-1237318","created_at":"2022-09-04T14:48:28.990633Z","structure_string":"Sb4 P4 H8 F40\n1.0\n11.298066 0.000000 0.000000\n0.000000 5.587358 0.000000\n0.000000 2.014213 13.643736\nSb P H F\n4 4 8 40\ndirect\n0.753231 0.653094 0.525341 Sb\n0.253231 0.346906 0.974659 Sb\n0.246769 0.346906 0.474659 Sb\n0.746769 0.653094 0.025341 Sb\n0.560846 0.080036 0.786035 P\n0.060846 0.919964 0.713965 P\n0.439154 0.919964 0.213965 P\n0.939154 0.080036 0.286035 P\n0.640668 0.195528 0.485559 H\n0.140668 0.804472 0.014441 H\n0.359332 0.804472 0.514441 H\n0.859332 0.195528 0.985559 H\n0.407052 0.737939 0.799985 H\n0.907052 0.262061 0.700015 H\n0.592948 0.262061 0.200015 H\n0.092948 0.737939 0.299985 H\n0.788182 0.702823 0.390444 F\n0.288182 0.297177 0.109556 F\n0.211818 0.297177 0.609556 F\n0.711818 0.702823 0.890444 F\n0.674988 0.560429 0.644863 F\n0.174988 0.439571 0.855137 F\n0.325012 0.439571 0.355137 F\n0.825012 0.560429 0.144863 F\n0.630308 0.373717 0.477890 F\n0.130308 0.626283 0.022110 F\n0.369692 0.626283 0.522110 F\n0.869692 0.373717 0.977890 F\n0.634876 0.909951 0.495691 F\n0.134876 0.090049 0.004309 F\n0.365124 0.090049 0.504309 F\n0.865124 0.909951 0.995691 F\n0.863776 0.871976 0.565479 F\n0.363776 0.128024 0.934521 F\n0.136224 0.128024 0.434521 F\n0.636224 0.871976 0.065479 F\n0.860891 0.389159 0.551201 F\n0.360891 0.610841 0.948799 F\n0.139109 0.610841 0.448799 F\n0.639109 0.389159 0.051201 F\n0.605622 0.257988 0.267901 F\n0.105622 0.742012 0.232099 F\n0.394378 0.742012 0.732099 F\n0.894378 0.257988 0.767901 F\n0.635352 0.265126 0.839793 F\n0.135352 0.734874 0.660207 F\n0.364648 0.734874 0.160207 F\n0.864648 0.265126 0.339793 F\n0.477456 0.271622 0.721946 F\n0.977456 0.728378 0.778054 F\n0.522544 0.728378 0.278054 F\n0.022544 0.271622 0.221946 F\n0.654341 0.048173 0.701501 F\n0.154341 0.951827 0.798499 F\n0.345659 0.951827 0.298499 F\n0.845659 0.048173 0.201501 F\n","nsites":56,"nelements":4,"elements":["Sb","P","H","F"],"chemical_system":"F-H-P-Sb","density":2.6585747943428237,"density_atomic":0.06501957303212191,"volume":861.2791100971099,"volume_molar":9.262042919022024,"formula_full":"Sb4 P4 H8 F40","formula_reduced":"SbPH2F10","formula_anonymous":"ABC2D10","energy":-272.98908322,"energy_per_atom":-4.8748050575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-254.50908322000004,"band_gap":1.9189,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:27.561000Z","spacegroup":14},{"id":"mp-1223211","created_at":"2022-09-04T14:48:28.988751Z","structure_string":"La2 Mg1 Al1\n1.0\n3.864226 0.000000 0.000000\n0.000000 3.864226 0.000000\n0.000000 0.000000 7.859989\nLa Mg Al\n2 1 1\ndirect\n0.500000 0.500000 0.233962 La\n0.500000 0.500000 0.766038 La\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n","nsites":4,"nelements":3,"elements":["La","Mg","Al"],"chemical_system":"Al-La-Mg","density":4.65614694150277,"density_atomic":0.03408105392960999,"volume":117.36726241686898,"volume_molar":17.67005437225607,"formula_full":"La2 Mg1 Al1","formula_reduced":"La2MgAl","formula_anonymous":"ABC2","energy":-16.17772222,"energy_per_atom":-4.044430555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.17772222,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2317484,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.737000Z","spacegroup":123},{"id":"mp-13843","created_at":"2022-09-04T14:48:28.988317Z","structure_string":"Li8 Te4 O16\n1.0\n6.134517 0.000000 0.000000\n0.000000 6.134517 0.000000\n0.000000 0.000000 8.460950\nLi Te O\n8 4 16\ndirect\n0.745919 0.745919 0.875000 Li\n0.254081 0.745919 0.125000 Li\n0.745919 0.254081 0.625000 Li\n0.254081 0.254081 0.375000 Li\n0.712572 0.500000 0.250000 Li\n0.500000 0.287428 0.000000 Li\n0.500000 0.712572 0.500000 Li\n0.287428 0.500000 0.750000 Li\n0.000000 0.731247 0.500000 Te\n0.268753 0.000000 0.750000 Te\n0.731247 0.000000 0.250000 Te\n0.000000 0.268753 0.000000 Te\n0.224752 0.981471 0.516502 O\n0.775248 0.981471 0.483498 O\n0.018529 0.224752 0.766502 O\n0.775248 0.018529 0.016502 O\n0.231278 0.467227 0.005872 O\n0.532773 0.231278 0.255872 O\n0.467227 0.768722 0.755872 O\n0.231278 0.532773 0.494128 O\n0.768722 0.467227 0.994128 O\n0.768722 0.532773 0.505872 O\n0.467227 0.231278 0.744128 O\n0.532773 0.768722 0.244128 O\n0.981471 0.224752 0.233498 O\n0.224752 0.018529 0.983498 O\n0.981471 0.775248 0.266502 O\n0.018529 0.775248 0.733498 O\n","nsites":28,"nelements":3,"elements":["Li","Te","O"],"chemical_system":"Li-O-Te","density":4.286451589032344,"density_atomic":0.08793831790260133,"volume":318.40499872890706,"volume_molar":6.848141860832499,"formula_full":"Li8 Te4 O16","formula_reduced":"Li2TeO4","formula_anonymous":"AB2C4","energy":-161.60723867,"energy_per_atom":-5.771687095357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.61523867,"band_gap":2.1007,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00119,"is_theoretical":false,"updated_at":"2021-11-28T01:39:49.157000Z","spacegroup":91},{"id":"mp-775974","created_at":"2022-09-04T14:48:28.986517Z","structure_string":"Ba8 Li16 Ni8 O24\n1.0\n13.755324 0.000000 0.000000\n0.000000 5.437543 0.000000\n0.000000 3.683607 10.566769\nBa Li Ni O\n8 16 8 24\ndirect\n0.893545 0.692167 0.574396 Ba\n0.699765 0.047712 0.678281 Ba\n0.199765 0.952288 0.821719 Ba\n0.393545 0.307833 0.925604 Ba\n0.606455 0.692167 0.074396 Ba\n0.800235 0.047712 0.178281 Ba\n0.300235 0.952288 0.321719 Ba\n0.106455 0.307833 0.425604 Ba\n0.167730 0.749022 0.589438 Li\n0.491611 0.232892 0.519602 Li\n0.357399 0.772076 0.624398 Li\n0.563736 0.505727 0.683323 Li\n0.063736 0.494273 0.816677 Li\n0.857399 0.227924 0.875602 Li\n0.667730 0.250978 0.910562 Li\n0.008389 0.232892 0.019602 Li\n0.991611 0.767108 0.980398 Li\n0.332270 0.749022 0.089438 Li\n0.142601 0.772076 0.124398 Li\n0.936264 0.505727 0.183323 Li\n0.436264 0.494273 0.316677 Li\n0.642601 0.227924 0.375602 Li\n0.508389 0.767108 0.480398 Li\n0.832270 0.250978 0.410562 Li\n0.308685 0.344359 0.582678 Ni\n0.976370 0.068559 0.711278 Ni\n0.476370 0.931441 0.788722 Ni\n0.808685 0.655641 0.917322 Ni\n0.191315 0.344359 0.082678 Ni\n0.523630 0.068559 0.211278 Ni\n0.023630 0.931441 0.288722 Ni\n0.691315 0.655641 0.417322 Ni\n0.603146 0.446215 0.528083 O\n0.260102 0.046987 0.559478 O\n0.264624 0.470715 0.710352 O\n0.882148 0.203992 0.589260 O\n0.499296 0.841426 0.645548 O\n0.054355 0.817143 0.680704 O\n0.764624 0.529285 0.789648 O\n0.554355 0.182857 0.819296 O\n0.999296 0.158574 0.854452 O\n0.382148 0.796008 0.910740 O\n0.896854 0.446215 0.028083 O\n0.760102 0.953013 0.940522 O\n0.239898 0.046987 0.059478 O\n0.103146 0.553785 0.971917 O\n0.617852 0.203992 0.089260 O\n0.000704 0.841426 0.145548 O\n0.445645 0.817143 0.180704 O\n0.235376 0.470715 0.210352 O\n0.945645 0.182857 0.319296 O\n0.500704 0.158574 0.354452 O\n0.117852 0.796008 0.410740 O\n0.735376 0.529285 0.289648 O\n0.739898 0.953013 0.440522 O\n0.396854 0.553785 0.471917 O\n","nsites":56,"nelements":4,"elements":["Ba","Li","Ni","O"],"chemical_system":"Ba-Li-Ni-O","density":4.334866176595222,"density_atomic":0.07085529079873636,"volume":790.3432385743411,"volume_molar":8.499211127515972,"formula_full":"Ba8 Li16 Ni8 O24","formula_reduced":"BaLi2NiO3","formula_anonymous":"ABC2D3","energy":-320.00899342,"energy_per_atom":-5.714446311071429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.19299342,"band_gap":1.762,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.711000Z","spacegroup":14},{"id":"mp-1186835","created_at":"2022-09-04T14:48:28.984790Z","structure_string":"Rb8 Mg4 H16\n1.0\n8.212145 0.000000 0.000000\n0.000000 8.802495 0.000000\n0.000000 0.000000 10.492529\nRb Mg H\n8 4 16\ndirect\n0.250000 0.491360 0.753314 Rb\n0.250000 0.991360 0.746686 Rb\n0.250000 0.743126 0.340826 Rb\n0.250000 0.243126 0.159174 Rb\n0.750000 0.756874 0.840826 Rb\n0.750000 0.256874 0.659174 Rb\n0.750000 0.008640 0.253314 Rb\n0.750000 0.508640 0.246686 Rb\n0.250000 0.743449 0.994400 Mg\n0.250000 0.243449 0.505600 Mg\n0.750000 0.756551 0.494400 Mg\n0.750000 0.256551 0.005600 Mg\n0.084502 0.743705 0.870076 H\n0.084502 0.243705 0.629924 H\n0.250000 0.066332 0.411923 H\n0.250000 0.419574 0.410836 H\n0.250000 0.919574 0.089164 H\n0.250000 0.566332 0.088077 H\n0.415498 0.743705 0.870076 H\n0.415498 0.243705 0.629924 H\n0.584502 0.756295 0.370076 H\n0.584502 0.256295 0.129924 H\n0.750000 0.433668 0.911923 H\n0.750000 0.080426 0.910836 H\n0.750000 0.580426 0.589164 H\n0.750000 0.933668 0.588077 H\n0.915498 0.756295 0.370076 H\n0.915498 0.256295 0.129924 H\n","nsites":28,"nelements":3,"elements":["Rb","Mg","H"],"chemical_system":"H-Mg-Rb","density":1.7450729181288673,"density_atomic":0.03691606968044839,"volume":758.4772767624679,"volume_molar":16.313060442589496,"formula_full":"Rb8 Mg4 H16","formula_reduced":"Rb2MgH4","formula_anonymous":"AB2C4","energy":-74.9655718,"energy_per_atom":-2.6773418500000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.1015718,"band_gap":3.313,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00123,"is_theoretical":true,"updated_at":"2021-11-28T01:39:39.870000Z","spacegroup":62}]}