{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=39","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=37","results":[{"id":"mp-1035597","created_at":"2022-09-04T14:39:07.755654Z","structure_string":"Mg14 Cr1 Fe1 O16\n1.0\n8.520667 0.000000 0.000000\n0.000000 8.520667 0.000000\n0.000000 0.000000 4.308859\nMg Cr Fe O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.248281 0.500000 Mg\n0.000000 0.751719 0.500000 Mg\n0.500000 0.248897 0.500000 Mg\n0.500000 0.751103 0.500000 Mg\n0.248281 0.000000 0.500000 Mg\n0.248897 0.500000 0.500000 Mg\n0.751719 0.000000 0.500000 Mg\n0.751103 0.500000 0.500000 Mg\n0.248033 0.248033 0.000000 Mg\n0.248033 0.751967 0.000000 Mg\n0.751967 0.248033 0.000000 Mg\n0.751967 0.751967 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.258797 0.000000 0.000000 O\n0.252192 0.500000 0.000000 O\n0.741203 0.000000 0.000000 O\n0.747808 0.500000 0.000000 O\n0.250388 0.250388 0.500000 O\n0.250388 0.749612 0.500000 O\n0.749612 0.250388 0.500000 O\n0.749612 0.749612 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.258797 0.000000 O\n0.000000 0.741203 0.000000 O\n0.500000 0.252192 0.000000 O\n0.500000 0.747808 0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Cr","Fe","O"],"chemical_system":"Cr-Fe-Mg-O","density":3.737445760074755,"density_atomic":0.10229172678229351,"volume":312.8307733831231,"volume_molar":5.8872217230400885,"formula_full":"Mg14 Cr1 Fe1 O16","formula_reduced":"Mg14CrFeO16","formula_anonymous":"ABC14D16","energy":-210.29941588000003,"energy_per_atom":-6.571856746250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.05241588,"band_gap":2.3684000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.3335243,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.078000Z","spacegroup":123},{"id":"mp-1222582","created_at":"2022-09-04T14:39:07.759322Z","structure_string":"Li16 Ge4 S16\n1.0\n6.458610 0.000000 0.000000\n0.000000 7.868558 0.000000\n0.000000 0.000000 13.441153\nLi Ge S\n16 4 16\ndirect\n0.831024 0.003647 0.656111 Li\n0.645942 0.507037 0.158114 Li\n0.168976 0.503647 0.343889 Li\n0.354058 0.007037 0.841886 Li\n0.145942 0.007037 0.341886 Li\n0.331024 0.503647 0.843889 Li\n0.854058 0.507037 0.658114 Li\n0.668976 0.003647 0.156111 Li\n0.649632 0.747078 0.932782 Li\n0.850368 0.747078 0.432782 Li\n0.350368 0.247078 0.067218 Li\n0.149632 0.247078 0.567218 Li\n0.512784 0.289296 0.702172 Li\n0.487216 0.789296 0.297828 Li\n0.012784 0.789296 0.797828 Li\n0.987216 0.289296 0.202172 Li\n0.849277 0.250334 0.910130 Ge\n0.650723 0.250334 0.410130 Ge\n0.150723 0.750334 0.089870 Ge\n0.349277 0.750334 0.589870 Ge\n0.715597 0.475701 0.827589 S\n0.772032 0.016650 0.330909 S\n0.284403 0.975701 0.172411 S\n0.227968 0.516650 0.669091 S\n0.272032 0.516650 0.169091 S\n0.215597 0.975701 0.672411 S\n0.727968 0.016650 0.830909 S\n0.784403 0.475701 0.327589 S\n0.692450 0.751644 0.593183 S\n0.807550 0.751644 0.093183 S\n0.307550 0.251644 0.406817 S\n0.192450 0.251644 0.906817 S\n0.766588 0.255615 0.567277 S\n0.733412 0.255615 0.067277 S\n0.233412 0.755615 0.432723 S\n0.266588 0.755615 0.932723 S\n","nsites":36,"nelements":3,"elements":["Li","Ge","S"],"chemical_system":"Ge-Li-S","density":2.223494959858037,"density_atomic":0.05270256651173213,"volume":683.0786882454014,"volume_molar":11.426655585472123,"formula_full":"Li16 Ge4 S16","formula_reduced":"Li4GeS4","formula_anonymous":"AB4C4","energy":-160.5153841,"energy_per_atom":-4.458760669444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.4673841,"band_gap":2.5087,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028049,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.334000Z","spacegroup":33},{"id":"mp-1177905","created_at":"2022-09-04T14:39:07.760975Z","structure_string":"Li16 Mn8 P16 O56\n1.0\n5.163257 -8.943023 0.000000\n5.163257 8.943023 0.000000\n0.000000 0.000000 13.647264\nLi Mn P O\n16 8 16 56\ndirect\n0.164117 0.831783 0.171312 Li\n0.167426 0.834275 0.673959 Li\n0.001336 0.499092 0.378379 Li\n0.666667 0.333333 0.678060 Li\n0.666667 0.333333 0.255433 Li\n0.832057 0.167844 0.880494 Li\n0.497756 0.998664 0.378379 Li\n0.168217 0.332334 0.171312 Li\n0.165725 0.333150 0.673959 Li\n0.333333 0.666667 0.878763 Li\n0.667666 0.835883 0.171312 Li\n0.000000 0.000000 0.379439 Li\n0.666850 0.832574 0.673959 Li\n0.832156 0.664213 0.880494 Li\n0.500908 0.502244 0.378379 Li\n0.335787 0.167943 0.880494 Li\n0.166073 0.833337 0.981405 Mn\n0.166187 0.832112 0.482853 Mn\n0.666667 0.333333 0.995489 Mn\n0.666667 0.333333 0.487265 Mn\n0.166663 0.332736 0.981405 Mn\n0.167888 0.334075 0.482853 Mn\n0.667264 0.833927 0.981405 Mn\n0.665925 0.833813 0.482853 Mn\n0.999547 0.499412 0.857820 P\n0.000268 0.500242 0.622584 P\n0.835462 0.166604 0.118838 P\n0.499864 0.000453 0.857820 P\n0.499974 0.999732 0.622584 P\n0.830931 0.166366 0.354040 P\n0.333333 0.666667 0.121779 P\n0.333333 0.666667 0.357131 P\n0.000000 0.000000 0.856925 P\n0.000000 0.000000 0.621836 P\n0.833396 0.668858 0.118838 P\n0.500588 0.500136 0.857820 P\n0.499758 0.500026 0.622584 P\n0.833634 0.664566 0.354040 P\n0.331142 0.164538 0.118838 P\n0.335434 0.169069 0.354040 P\n0.119072 0.658670 0.593905 O\n0.139764 0.646378 0.887532 O\n0.852727 0.491224 0.887550 O\n0.841124 0.460873 0.594615 O\n0.001175 0.499797 0.740783 O\n0.818640 0.307299 0.377548 O\n0.803119 0.289814 0.092440 O\n0.038440 0.380751 0.592809 O\n0.008187 0.360075 0.886986 O\n0.619749 0.158876 0.594615 O\n0.638497 0.147273 0.887550 O\n0.351889 0.991813 0.886986 O\n0.342311 0.961560 0.592809 O\n0.830591 0.159973 0.238905 O\n0.498622 0.998825 0.740783 O\n0.993870 0.200858 0.094118 O\n0.977709 0.177030 0.387984 O\n0.692253 0.021559 0.387916 O\n0.713821 0.009126 0.090431 O\n0.325499 0.805805 0.387974 O\n0.294024 0.785938 0.094086 O\n0.539597 0.880928 0.593905 O\n0.506615 0.860236 0.887532 O\n0.118846 0.158595 0.593229 O\n0.140579 0.146017 0.886827 O\n0.853983 0.994562 0.886827 O\n0.841405 0.960252 0.593229 O\n0.333333 0.666667 0.241276 O\n0.000000 0.000000 0.740242 O\n0.491914 0.705976 0.094086 O\n0.480305 0.674501 0.387974 O\n0.194195 0.519695 0.387974 O\n0.214062 0.508086 0.094086 O\n0.822970 0.800679 0.387984 O\n0.799142 0.793013 0.094118 O\n0.039748 0.881154 0.593229 O\n0.005438 0.859421 0.886827 O\n0.619249 0.657689 0.592809 O\n0.639925 0.648111 0.886986 O\n0.353622 0.493385 0.887532 O\n0.341330 0.460403 0.593905 O\n0.840027 0.670619 0.238905 O\n0.500203 0.501378 0.740783 O\n0.990874 0.704695 0.090431 O\n0.978441 0.670694 0.387916 O\n0.692701 0.511341 0.377548 O\n0.710186 0.513305 0.092440 O\n0.329306 0.307747 0.387916 O\n0.295305 0.286179 0.090431 O\n0.539127 0.380251 0.594615 O\n0.508776 0.361503 0.887550 O\n0.329381 0.169409 0.238905 O\n0.486695 0.196881 0.092440 O\n0.488659 0.181360 0.377548 O\n0.199321 0.022291 0.387984 O\n0.206987 0.006130 0.094118 O\n","nsites":96,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.5588130774587206,"density_atomic":0.07617063117777248,"volume":1260.3282724013186,"volume_molar":7.906119021050378,"formula_full":"Li16 Mn8 P16 O56","formula_reduced":"Li2MnP2O7","formula_anonymous":"AB2C2D7","energy":-717.1167491900001,"energy_per_atom":-7.469966137395834,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-665.30074919,"band_gap":3.7203,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":40.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.685000Z","spacegroup":143},{"id":"mp-760849","created_at":"2022-09-04T14:39:07.765151Z","structure_string":"Na9 Ni11 O20\n1.0\n7.049006 0.000000 0.000000\n-0.210572 7.766481 0.000000\n-0.206621 -3.376143 7.304156\nNa Ni O\n9 11 20\ndirect\n0.404464 0.602094 0.898458 Na\n0.901077 0.598592 0.399283 Na\n0.595536 0.397906 0.101542 Na\n0.797438 0.198643 0.296985 Na\n0.098923 0.401408 0.600717 Na\n0.500000 0.000000 0.000000 Na\n0.300281 0.201019 0.802728 Na\n0.699719 0.798981 0.197272 Na\n0.202562 0.801357 0.703015 Na\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.707393 0.294865 0.697939 Ni\n0.195277 0.299627 0.202087 Ni\n0.906375 0.095767 0.891533 Ni\n0.393070 0.100888 0.400529 Ni\n0.093625 0.904233 0.108467 Ni\n0.606930 0.899112 0.599471 Ni\n0.000000 0.000000 0.500000 Ni\n0.804723 0.700373 0.797913 Ni\n0.292607 0.705135 0.302061 Ni\n0.577818 0.660160 0.383474 O\n0.075711 0.664574 0.888015 O\n0.736355 0.523108 0.925441 O\n0.263645 0.476892 0.074559 O\n0.223232 0.547956 0.423229 O\n0.776768 0.452044 0.576771 O\n0.621635 0.137933 0.814006 O\n0.469630 0.258795 0.279290 O\n0.422182 0.339840 0.616526 O\n0.924289 0.335426 0.111985 O\n0.107236 0.129193 0.334987 O\n0.986234 0.232565 0.754703 O\n0.694637 0.054815 0.479607 O\n0.180053 0.052439 0.983258 O\n0.378365 0.862067 0.185994 O\n0.305363 0.945185 0.520393 O\n0.819947 0.947561 0.016742 O\n0.892764 0.870807 0.665013 O\n0.013766 0.767435 0.245297 O\n0.530370 0.741205 0.720710 O\n","nsites":40,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":4.8690965161197415,"density_atomic":0.10003173162032789,"volume":399.8731137817415,"volume_molar":6.020230443332858,"formula_full":"Na9 Ni11 O20","formula_reduced":"Na9Ni11O20","formula_anonymous":"A9B11C20","energy":-226.78282304,"energy_per_atom":-5.669570576,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.09182304,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0266757,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.077000Z","spacegroup":2},{"id":"mp-1103","created_at":"2022-09-04T14:39:07.768781Z","structure_string":"Lu1 Si2\n1.0\n2.044668 -3.541469 0.000000\n2.044668 3.541469 0.000000\n0.000000 0.000000 3.796218\nLu Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n","nsites":3,"nelements":2,"elements":["Lu","Si"],"chemical_system":"Lu-Si","density":6.981247968454611,"density_atomic":0.054567476521852586,"volume":54.97780346867594,"volume_molar":11.03613570546609,"formula_full":"Lu1 Si2","formula_reduced":"LuSi2","formula_anonymous":"AB2","energy":-16.51573655,"energy_per_atom":-5.505245516666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.65773655,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008564,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.369000Z","spacegroup":191},{"id":"mp-1221532","created_at":"2022-09-04T14:39:07.784929Z","structure_string":"Mn1 Zn3\n1.0\n1.362488 -2.359898 0.000000\n1.362488 2.359898 0.000000\n0.000000 0.000000 8.762115\nMn Zn\n1 3\ndirect\n0.666667 0.333333 0.000000 Mn\n0.666667 0.333333 0.500000 Zn\n0.333333 0.666667 0.241419 Zn\n0.333333 0.666667 0.758581 Zn\n","nsites":4,"nelements":2,"elements":["Mn","Zn"],"chemical_system":"Mn-Zn","density":7.401903735994305,"density_atomic":0.07098966531036491,"volume":56.3462298703918,"volume_molar":8.4831231893704,"formula_full":"Mn1 Zn3","formula_reduced":"MnZn3","formula_anonymous":"AB3","energy":-12.71820127,"energy_per_atom":-3.1795503175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.71820127,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4332888,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.435000Z","spacegroup":187},{"id":"mp-541468","created_at":"2022-09-04T14:39:07.772571Z","structure_string":"Mn4 P8 Pb4 O28\n1.0\n8.585113 0.000000 0.000000\n0.000000 5.489513 0.000000\n0.000000 5.443594 13.096152\nMn P Pb O\n4 8 4 28\ndirect\n0.850720 0.723450 0.603002 Mn\n0.350720 0.276550 0.896998 Mn\n0.149280 0.276550 0.396998 Mn\n0.649280 0.723450 0.103002 Mn\n0.794435 0.335597 0.478995 P\n0.294435 0.664403 0.021005 P\n0.205565 0.664403 0.521005 P\n0.705565 0.335597 0.978995 P\n0.537845 0.423162 0.332032 P\n0.037845 0.576838 0.167968 P\n0.462155 0.576838 0.667968 P\n0.962155 0.423162 0.832032 P\n0.677748 0.022056 0.774686 Pb\n0.177748 0.977944 0.725314 Pb\n0.322252 0.977944 0.225314 Pb\n0.822252 0.022056 0.274686 Pb\n0.828204 0.614722 0.473679 O\n0.328204 0.385278 0.026321 O\n0.171796 0.385278 0.526321 O\n0.671796 0.614722 0.973679 O\n0.800666 0.119704 0.587180 O\n0.300666 0.880296 0.912820 O\n0.199334 0.880296 0.412820 O\n0.699334 0.119704 0.087180 O\n0.896556 0.261300 0.404404 O\n0.396556 0.738700 0.095596 O\n0.103444 0.738700 0.595596 O\n0.603444 0.261300 0.904404 O\n0.614010 0.329324 0.444664 O\n0.114010 0.670676 0.055336 O\n0.385990 0.670676 0.555336 O\n0.885990 0.329324 0.944664 O\n0.365663 0.472882 0.345376 O\n0.865663 0.527118 0.154624 O\n0.634337 0.527118 0.654624 O\n0.134337 0.472882 0.845376 O\n0.616751 0.684092 0.263274 O\n0.116751 0.315908 0.236726 O\n0.383249 0.315908 0.736726 O\n0.883249 0.684092 0.763274 O\n0.565070 0.204015 0.291723 O\n0.065070 0.795985 0.208277 O\n0.434930 0.795985 0.708277 O\n0.934930 0.204015 0.791723 O\n","nsites":44,"nelements":4,"elements":["Mn","P","Pb","O"],"chemical_system":"Mn-O-P-Pb","density":4.693027298120475,"density_atomic":0.071290085517338,"volume":617.1966225135058,"volume_molar":8.44737485766572,"formula_full":"Mn4 P8 Pb4 O28","formula_reduced":"MnP2PbO7","formula_anonymous":"ABC2D7","energy":-343.94734967,"energy_per_atom":-7.816985219772727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-318.03934967,"band_gap":2.122,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0004977,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.830000Z","spacegroup":14},{"id":"mp-1048591","created_at":"2022-09-04T14:39:07.773375Z","structure_string":"Cr6 Se4 Cl2 O16\n1.0\n6.414886 0.000000 0.000000\n0.000000 7.917739 0.000000\n0.000000 0.116512 10.058548\nCr Se Cl O\n6 4 2 16\ndirect\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.250000 0.698324 0.750433 Cr\n0.750000 0.301676 0.249567 Cr\n0.000000 0.500000 0.500000 Cr\n0.250000 0.857990 0.045106 Se\n0.750000 0.142010 0.954894 Se\n0.250000 0.854253 0.443099 Se\n0.750000 0.145747 0.556901 Se\n0.750000 0.606953 0.831303 Cl\n0.250000 0.393047 0.168697 Cl\n0.750000 0.457721 0.110924 O\n0.750000 0.112791 0.126485 O\n0.250000 0.884974 0.611674 O\n0.464246 0.730330 0.073374 O\n0.533040 0.276647 0.574771 O\n0.966960 0.276647 0.574771 O\n0.250000 0.542279 0.889076 O\n0.035754 0.730330 0.073374 O\n0.033040 0.723353 0.425229 O\n0.964246 0.269670 0.926626 O\n0.750000 0.460951 0.396658 O\n0.250000 0.539049 0.603342 O\n0.535754 0.269670 0.926626 O\n0.466960 0.723353 0.425229 O\n0.250000 0.887209 0.873515 O\n0.750000 0.115026 0.388326 O\n","nsites":28,"nelements":4,"elements":["Cr","Se","Cl","O"],"chemical_system":"Cl-Cr-O-Se","density":3.103105324639137,"density_atomic":0.054806568864897535,"volume":510.8876651085782,"volume_molar":10.987990827969995,"formula_full":"Cr6 Se4 Cl2 O16","formula_reduced":"Cr3Se2ClO8","formula_anonymous":"AB2C3D8","energy":-199.05950877,"energy_per_atom":-7.109268170357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.84550877,"band_gap":0.5232,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0002778,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.572000Z","spacegroup":11},{"id":"mp-10904","created_at":"2022-09-04T14:39:07.777567Z","structure_string":"Al4 Pt4\n1.0\n4.917449 0.000000 0.000000\n0.000000 4.917449 0.000000\n0.000000 0.000000 4.917449\nAl Pt\n4 4\ndirect\n0.844017 0.844017 0.844017 Al\n0.655983 0.155983 0.344017 Al\n0.344017 0.655983 0.155983 Al\n0.155983 0.344017 0.655983 Al\n0.154867 0.154867 0.154867 Pt\n0.345133 0.845133 0.654867 Pt\n0.654867 0.345133 0.845133 Pt\n0.845133 0.654867 0.345133 Pt\n","nsites":8,"nelements":2,"elements":["Al","Pt"],"chemical_system":"Al-Pt","density":12.404254351104699,"density_atomic":0.06727758500661818,"volume":118.91033245638991,"volume_molar":8.951184498384707,"formula_full":"Al4 Pt4","formula_reduced":"AlPt","formula_anonymous":"AB","energy":-47.59722495,"energy_per_atom":-5.94965311875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.59722495,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.391000Z","spacegroup":198},{"id":"mp-1218988","created_at":"2022-09-04T14:39:07.792891Z","structure_string":"Sm1 Y1 Cu4\n1.0\n-2.173847 3.469638 3.699245\n2.173847 -3.469638 3.699245\n2.173847 3.469638 -3.699245\nSm Y Cu\n1 1 4\ndirect\n0.458449 0.458449 0.000000 Sm\n0.039210 0.539210 0.500000 Y\n0.639555 0.837347 0.802208 Cu\n0.863696 0.163823 0.699873 Cu\n0.463951 0.163823 0.300127 Cu\n0.035139 0.837347 0.197792 Cu\n","nsites":6,"nelements":3,"elements":["Sm","Y","Cu"],"chemical_system":"Cu-Sm-Y","density":7.341856505295163,"density_atomic":0.053760713470544334,"volume":111.60566169359748,"volume_molar":11.201750072196402,"formula_full":"Sm1 Y1 Cu4","formula_reduced":"SmYCu4","formula_anonymous":"ABC4","energy":-29.05478664,"energy_per_atom":-4.84246444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.05478664,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013857,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.845000Z","spacegroup":44},{"id":"mp-1097488","created_at":"2022-09-04T14:39:07.799425Z","structure_string":"Hf1 Tc2 Mo1\n1.0\n-4.551646 5.796704 8.158636\n4.551646 -5.796704 8.158636\n4.551646 5.796704 -8.158636\nHf Tc Mo\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.243173 0.243173 Tc\n0.000000 0.756827 0.756827 Tc\n0.000000 0.000000 0.000000 Mo\n","nsites":4,"nelements":3,"elements":["Hf","Tc","Mo"],"chemical_system":"Hf-Mo-Tc","density":0.9072290666368859,"density_atomic":0.004645504022055397,"volume":861.0475808457496,"volume_molar":129.6337433227646,"formula_full":"Hf1 Tc2 Mo1","formula_reduced":"HfTc2Mo","formula_anonymous":"ABC2","energy":-25.52289862,"energy_per_atom":-6.380724655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.52289862,"band_gap":0.2218,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1593987,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.481000Z","spacegroup":71},{"id":"mp-39387","created_at":"2022-09-04T14:39:06.498898Z","structure_string":"Sr2 Li2 Ta4 O12 F2\n1.0\n-3.710337 3.763242 5.267826\n3.710337 -3.763242 5.267826\n3.710337 3.763242 -5.267826\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.063512 0.930541 0.745370 O\n0.071113 0.321113 0.750000 O\n0.063512 0.318142 0.132971 O\n0.685171 0.930541 0.367029 O\n0.936488 0.069459 0.254630 O\n0.688605 0.938605 0.750000 O\n0.928887 0.678887 0.250000 O\n0.685171 0.318142 0.754630 O\n0.936488 0.681858 0.867029 O\n0.314829 0.069459 0.632971 O\n0.314829 0.681858 0.245370 O\n0.311395 0.061395 0.250000 O\n0.600630 0.350630 0.250000 F\n0.399370 0.649370 0.750000 F\n","nsites":22,"nelements":5,"elements":["Sr","Li","Ta","O","F"],"chemical_system":"F-Li-O-Sr-Ta","density":6.450473584815776,"density_atomic":0.0747748867140229,"volume":294.21642702233925,"volume_molar":8.053694261058158,"formula_full":"Sr2 Li2 Ta4 O12 F2","formula_reduced":"SrLiTa2O6F","formula_anonymous":"ABCD2E6","energy":-192.87610027,"energy_per_atom":-8.767095466818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.70810027,"band_gap":3.6165,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002715,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.934000Z","spacegroup":74}]}