{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=12181","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=12179","results":[{"id":"mp-1120716","created_at":"2022-09-04T14:42:26.512957Z","structure_string":"Cd1 Hg3 Te4\n1.0\n6.661426 0.000000 0.000000\n0.000000 6.661426 0.000000\n0.000000 0.000000 6.661426\nCd Hg Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.249392 0.249392 0.249392 Te\n0.750608 0.750608 0.249392 Te\n0.249392 0.750608 0.750608 Te\n0.750608 0.249392 0.750608 Te\n","nsites":8,"nelements":3,"elements":["Cd","Hg","Te"],"chemical_system":"Cd-Hg-Te","density":6.879153351372383,"density_atomic":0.02706377433973357,"volume":295.59808988855013,"volume_molar":22.25166632119977,"formula_full":"Cd1 Hg3 Te4","formula_reduced":"CdHg3Te4","formula_anonymous":"AB3C4","energy":-17.99129374,"energy_per_atom":-2.2489117175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.30329374,"band_gap":0.1486,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009903,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.471000Z","spacegroup":215},{"id":"mp-1661345","created_at":"2022-09-04T14:42:26.905761Z","structure_string":"Li2 Fe2 P6 O18\n1.0\n6.563403 -0.110230 -0.013863\n-3.377085 5.848778 0.000001\n0.006287 0.003377 9.806232\nLi Fe P O\n2 2 6 18\ndirect\n0.682416 0.480627 0.526425 Li\n0.682690 0.201907 0.026462 Li\n0.326632 0.661292 0.996896 Fe\n0.326591 0.665715 0.496895 Fe\n0.037722 0.764474 0.748838 P\n0.244200 0.969231 0.243339 P\n0.037962 0.273328 0.248788 P\n0.244132 0.274899 0.743405 P\n0.721620 0.958643 0.752553 P\n0.721692 0.762989 0.252483 P\n0.074383 0.655221 0.871954 O\n0.012882 0.650583 0.612151 O\n0.373072 0.970552 0.115688 O\n0.329586 0.940813 0.378947 O\n0.013090 0.362538 0.112160 O\n0.074715 0.419117 0.371965 O\n0.329455 0.388724 0.878961 O\n0.373028 0.402417 0.615713 O\n0.570168 0.904993 0.628243 O\n0.621376 0.976877 0.886850 O\n0.239407 0.206005 0.243054 O\n0.239235 0.033256 0.743248 O\n0.621325 0.644467 0.386770 O\n0.570372 0.665330 0.128122 O\n0.799146 0.770152 0.773988 O\n0.966911 0.774328 0.221091 O\n0.799367 0.029062 0.273924 O\n0.966825 0.192460 0.721091 O\n","nsites":28,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.669951816409297,"density_atomic":0.07510915674700608,"volume":372.79076497042564,"volume_molar":8.017851645285646,"formula_full":"Li2 Fe2 P6 O18","formula_reduced":"LiFe(PO3)3","formula_anonymous":"ABC3D9","energy":-212.94078609,"energy_per_atom":-7.605028074642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.06278609,"band_gap":4.1654,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0002381,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.761000Z","spacegroup":9},{"id":"mp-1224767","created_at":"2022-09-04T14:42:26.517522Z","structure_string":"Hf8 Ti2 Pb10 O30\n1.0\n5.871517 0.000000 0.000000\n2.882233 9.662933 0.000000\n2.790645 2.674033 12.460219\nHf Ti Pb O\n8 2 10 30\ndirect\n0.431564 0.296633 0.890760 Hf\n0.230867 0.898795 0.692116 Hf\n0.031542 0.496309 0.493079 Hf\n0.828853 0.097891 0.292878 Hf\n0.031680 0.996047 0.993169 Hf\n0.829248 0.597865 0.793022 Hf\n0.431078 0.796800 0.390823 Hf\n0.231462 0.398822 0.192302 Hf\n0.639230 0.696666 0.090682 Ti\n0.639133 0.196989 0.590380 Ti\n0.278668 0.644354 0.934354 Pb\n0.087854 0.242093 0.726985 Pb\n0.876995 0.845858 0.530556 Pb\n0.674153 0.446707 0.329001 Pb\n0.477694 0.037820 0.130265 Pb\n0.674121 0.946854 0.828949 Pb\n0.477274 0.538433 0.629898 Pb\n0.278815 0.143902 0.434756 Pb\n0.087654 0.742404 0.226802 Pb\n0.876389 0.345758 0.030962 Pb\n0.986046 0.264621 0.236635 O\n0.782159 0.854065 0.039935 O\n0.587795 0.463395 0.838531 O\n0.391588 0.064876 0.635998 O\n0.188933 0.660699 0.437407 O\n0.903351 0.028560 0.153516 O\n0.700944 0.632870 0.958930 O\n0.505929 0.229182 0.749118 O\n0.302267 0.830276 0.551811 O\n0.100940 0.430520 0.351864 O\n0.110456 0.958215 0.360562 O\n0.898600 0.564010 0.155818 O\n0.710200 0.154736 0.960929 O\n0.510343 0.759668 0.760282 O\n0.315415 0.354422 0.559952 O\n0.689044 0.168798 0.446995 O\n0.493344 0.766582 0.236850 O\n0.289312 0.368843 0.039038 O\n0.088513 0.967898 0.839595 O\n0.890914 0.566152 0.640776 O\n0.497967 0.234114 0.247844 O\n0.303173 0.829741 0.047552 O\n0.097525 0.432768 0.847736 O\n0.887045 0.040398 0.643862 O\n0.697565 0.629625 0.448165 O\n0.613114 0.950520 0.363874 O\n0.415761 0.552715 0.160615 O\n0.214710 0.148000 0.962855 O\n0.011220 0.752503 0.761802 O\n0.805554 0.342227 0.563415 O\n","nsites":50,"nelements":4,"elements":["Hf","Ti","Pb","O"],"chemical_system":"Hf-O-Pb-Ti","density":9.573252651861342,"density_atomic":0.07072696754626198,"volume":706.9439244273462,"volume_molar":8.514631644656564,"formula_full":"Hf8 Ti2 Pb10 O30","formula_reduced":"Hf4Ti(PbO3)5","formula_anonymous":"AB4C5D15","energy":-427.48436534000007,"energy_per_atom":-8.549687306800001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-406.87436534000005,"band_gap":2.8592000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028925,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.773000Z","spacegroup":1},{"id":"mp-862765","created_at":"2022-09-04T14:42:26.518451Z","structure_string":"Li1 Gd2 Ir1\n1.0\n0.010143 3.505852 3.513266\n3.509058 0.007231 3.516172\n3.509746 3.509453 0.006530\nLi Gd Ir\n1 2 1\ndirect\n0.750031 0.750016 0.749952 Li\n0.999711 0.000075 0.999856 Gd\n0.500262 0.500079 0.500033 Gd\n0.249996 0.249830 0.250159 Ir\n","nsites":4,"nelements":3,"elements":["Li","Gd","Ir"],"chemical_system":"Gd-Ir-Li","density":9.89086723823798,"density_atomic":0.046384321683085386,"volume":86.23603525625447,"volume_molar":12.983138572437177,"formula_full":"Li1 Gd2 Ir1","formula_reduced":"LiGd2Ir","formula_anonymous":"ABC2","energy":-40.98498217,"energy_per_atom":-10.2462455425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.98498217,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.2268274,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.788000Z","spacegroup":225},{"id":"mp-1204549","created_at":"2022-09-04T14:42:26.523878Z","structure_string":"Er16 B4 Cl4 O28\n1.0\n8.008021 0.000000 0.000000\n0.000000 8.547416 0.000000\n0.000000 6.049816 10.588018\nEr B Cl O\n16 4 4 28\ndirect\n0.624995 0.797817 0.221031 Er\n0.875005 0.797817 0.721031 Er\n0.375005 0.202183 0.778969 Er\n0.124995 0.202183 0.278969 Er\n0.617827 0.424506 0.908903 Er\n0.882173 0.424506 0.408903 Er\n0.382173 0.575494 0.091097 Er\n0.117827 0.575494 0.591097 Er\n0.638550 0.569549 0.581013 Er\n0.861450 0.569549 0.081013 Er\n0.361450 0.430451 0.418987 Er\n0.138550 0.430451 0.918987 Er\n0.614430 0.181906 0.279460 Er\n0.885570 0.181906 0.779460 Er\n0.385570 0.818094 0.720540 Er\n0.114430 0.818094 0.220540 Er\n0.868786 0.868332 0.414310 B\n0.631214 0.868332 0.914310 B\n0.131214 0.131668 0.585690 B\n0.368786 0.131668 0.085690 B\n0.850105 0.118460 0.031971 Cl\n0.649895 0.118460 0.531971 Cl\n0.149895 0.881540 0.968029 Cl\n0.350105 0.881540 0.468029 Cl\n0.622375 0.541428 0.402288 O\n0.877625 0.541428 0.902288 O\n0.377625 0.458572 0.597712 O\n0.122375 0.458572 0.097712 O\n0.636856 0.308398 0.775098 O\n0.863144 0.308398 0.275098 O\n0.363144 0.691602 0.224902 O\n0.136856 0.691602 0.724902 O\n0.617673 0.680074 0.716619 O\n0.882327 0.680074 0.216619 O\n0.382327 0.319926 0.283381 O\n0.117673 0.319926 0.783381 O\n0.621455 0.425182 0.093283 O\n0.878545 0.425182 0.593283 O\n0.378545 0.574818 0.906717 O\n0.121455 0.574818 0.406717 O\n0.889915 0.773249 0.544012 O\n0.610085 0.773249 0.044012 O\n0.110085 0.226751 0.455988 O\n0.389915 0.226751 0.955988 O\n0.003439 0.936794 0.334314 O\n0.496561 0.936794 0.834314 O\n0.996561 0.063206 0.665686 O\n0.503439 0.063206 0.165686 O\n0.709247 0.884748 0.366803 O\n0.790753 0.884748 0.866803 O\n0.290753 0.115252 0.633197 O\n0.209247 0.115252 0.133197 O\n","nsites":52,"nelements":4,"elements":["Er","B","Cl","O"],"chemical_system":"B-Cl-Er-O","density":7.5821992438145145,"density_atomic":0.07175111063311922,"volume":724.7274577516796,"volume_molar":8.393097621572245,"formula_full":"Er16 B4 Cl4 O28","formula_reduced":"Er4BClO7","formula_anonymous":"ABC4D7","energy":-440.79776488,"energy_per_atom":-8.476880093846153,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-419.10576488,"band_gap":4.7594,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001691,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.491000Z","spacegroup":14},{"id":"mp-1043526","created_at":"2022-09-04T14:42:26.525025Z","structure_string":"Mg4 Cr4 Si16 O40\n1.0\n7.344174 0.000000 0.000000\n0.000000 7.344174 0.000000\n0.000000 0.000000 14.920639\nMg Cr Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.570582 Cr\n0.000000 0.500000 0.929418 Cr\n0.000000 0.500000 0.429418 Cr\n0.500000 0.000000 0.070582 Cr\n0.161819 0.241738 0.644785 Si\n0.838181 0.758262 0.644785 Si\n0.241738 0.161819 0.855215 Si\n0.741738 0.338181 0.644785 Si\n0.258262 0.661819 0.644785 Si\n0.338181 0.741738 0.855215 Si\n0.661819 0.258262 0.855215 Si\n0.758262 0.838181 0.855215 Si\n0.338181 0.258262 0.355215 Si\n0.661819 0.741738 0.355215 Si\n0.258262 0.338181 0.144785 Si\n0.758262 0.161819 0.355215 Si\n0.241738 0.838181 0.355215 Si\n0.161819 0.758262 0.144785 Si\n0.838181 0.241738 0.144785 Si\n0.741738 0.661819 0.144785 Si\n0.231249 0.087212 0.575614 O\n0.768751 0.912788 0.575614 O\n0.087212 0.231249 0.924386 O\n0.587212 0.268751 0.575614 O\n0.412788 0.731249 0.575614 O\n0.268751 0.587212 0.924386 O\n0.731249 0.412788 0.924386 O\n0.912788 0.768751 0.924386 O\n0.268751 0.412788 0.424386 O\n0.731249 0.587212 0.424386 O\n0.412788 0.268751 0.075614 O\n0.912788 0.231249 0.424386 O\n0.087212 0.768751 0.424386 O\n0.231249 0.912788 0.075614 O\n0.768751 0.087212 0.075614 O\n0.251626 0.057384 0.374952 O\n0.587212 0.731249 0.075614 O\n0.751626 0.557384 0.625048 O\n0.442616 0.248374 0.874952 O\n0.942616 0.251626 0.625048 O\n0.057384 0.748374 0.625048 O\n0.251626 0.942616 0.874952 O\n0.748374 0.057384 0.874952 O\n0.557384 0.751626 0.874952 O\n0.696273 0.696273 0.250000 O\n0.803727 0.196273 0.250000 O\n0.196273 0.803727 0.250000 O\n0.303727 0.303727 0.250000 O\n0.803727 0.803727 0.750000 O\n0.696273 0.303727 0.750000 O\n0.303727 0.696273 0.750000 O\n0.196273 0.196273 0.750000 O\n0.942616 0.748374 0.125048 O\n0.751626 0.442616 0.125048 O\n0.248374 0.557384 0.125048 O\n0.442616 0.751626 0.374952 O\n0.557384 0.248374 0.374952 O\n0.057384 0.251626 0.125048 O\n0.748374 0.942616 0.374952 O\n0.248374 0.442616 0.625048 O\n","nsites":64,"nelements":4,"elements":["Mg","Cr","Si","O"],"chemical_system":"Cr-Mg-O-Si","density":2.877460369118795,"density_atomic":0.07952554162545887,"volume":804.7728904685812,"volume_molar":7.572586915990405,"formula_full":"Mg4 Cr4 Si16 O40","formula_reduced":"MgCr(Si2O5)2","formula_anonymous":"ABC4D10","energy":-525.01419665,"energy_per_atom":-8.20334682265625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-489.53819665,"band_gap":3.5557000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.1052512,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.451000Z","spacegroup":130},{"id":"mp-558207","created_at":"2022-09-04T14:42:26.527652Z","structure_string":"Eu10 Si6 O24 F2\n1.0\n4.851955 -8.403832 0.000000\n4.851955 8.403832 0.000000\n0.000000 0.000000 7.106437\nEu Si O F\n10 6 24 2\ndirect\n0.253590 0.249450 0.750000 Eu\n0.750550 0.004140 0.750000 Eu\n0.666667 0.333333 0.500216 Eu\n0.333333 0.666667 0.000216 Eu\n0.995860 0.746410 0.750000 Eu\n0.666667 0.333333 0.999784 Eu\n0.746410 0.750550 0.250000 Eu\n0.004140 0.253590 0.250000 Eu\n0.333333 0.666667 0.499784 Eu\n0.249450 0.995860 0.250000 Eu\n0.631876 0.028194 0.250000 Si\n0.603683 0.631876 0.750000 Si\n0.971806 0.603683 0.250000 Si\n0.028194 0.396317 0.750000 Si\n0.396317 0.368124 0.250000 Si\n0.368124 0.971806 0.750000 Si\n0.125779 0.593352 0.750000 O\n0.249924 0.909813 0.565373 O\n0.322095 0.486720 0.250000 O\n0.750076 0.090187 0.065373 O\n0.659889 0.750076 0.934627 O\n0.406648 0.532428 0.750000 O\n0.090187 0.340111 0.565373 O\n0.532428 0.125779 0.250000 O\n0.909813 0.659889 0.434627 O\n0.593352 0.467572 0.250000 O\n0.486720 0.164625 0.750000 O\n0.340111 0.249924 0.434627 O\n0.467572 0.874221 0.750000 O\n0.164625 0.677905 0.250000 O\n0.835375 0.322095 0.750000 O\n0.249924 0.909813 0.934627 O\n0.090187 0.340111 0.934627 O\n0.750076 0.090187 0.434627 O\n0.677905 0.513280 0.750000 O\n0.659889 0.750076 0.565373 O\n0.874221 0.406648 0.250000 O\n0.340111 0.249924 0.065373 O\n0.513280 0.835375 0.250000 O\n0.909813 0.659889 0.065373 O\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n","nsites":42,"nelements":4,"elements":["Eu","Si","O","F"],"chemical_system":"Eu-F-O-Si","density":6.046212265858485,"density_atomic":0.07247250255805636,"volume":579.5301461592911,"volume_molar":8.309552654368153,"formula_full":"Eu10 Si6 O24 F2","formula_reduced":"Eu5Si3O12F","formula_anonymous":"AB3C5D12","energy":-404.71195404,"energy_per_atom":-9.635998905714287,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-387.29995404,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":64.0000003,"is_theoretical":false,"updated_at":"2021-11-28T01:35:46.252000Z","spacegroup":176},{"id":"mp-1517422","created_at":"2022-09-04T14:42:26.906035Z","structure_string":"Ba1 Sr1 Co4 O12\n1.0\n5.432945 0.000000 -0.000000\n0.000000 5.432945 0.000000\n0.000000 -0.000000 7.606762\nBa Sr Co O\n1 1 4 12\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.747527 Co\n-0.000000 0.500000 0.252473 Co\n0.500000 0.000000 0.252473 Co\n0.500000 -0.000000 0.747527 Co\n0.245956 0.245956 0.255185 O\n0.245956 0.245956 0.744815 O\n0.754044 0.754044 0.255185 O\n0.754044 0.754044 0.744815 O\n0.754044 0.245956 0.744815 O\n0.754044 0.245956 0.255185 O\n0.245956 0.754044 0.744815 O\n0.245956 0.754044 0.255185 O\n0.000000 0.500000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n","nsites":18,"nelements":4,"elements":["Ba","Sr","Co","O"],"chemical_system":"Ba-Co-O-Sr","density":4.826963554297831,"density_atomic":0.08016818656507757,"volume":224.5279676544544,"volume_molar":7.511883476510285,"formula_full":"Ba1 Sr1 Co4 O12","formula_reduced":"BaSr(CoO3)4","formula_anonymous":"ABC4D12","energy":-113.14948804,"energy_per_atom":-6.286082668888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.35348804,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.4782661,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.796000Z","spacegroup":123},{"id":"mp-12159","created_at":"2022-09-04T14:42:26.532796Z","structure_string":"Na16 P8 O24 F8\n1.0\n5.504788 0.000000 0.000000\n0.000000 7.025124 0.000000\n0.000000 0.000000 19.231484\nNa P O F\n16 8 24 8\ndirect\n0.257564 0.420247 0.039330 Na\n0.757564 0.079753 0.960670 Na\n0.742436 0.920247 0.460670 Na\n0.242436 0.579753 0.539330 Na\n0.284227 0.061268 0.191358 Na\n0.784227 0.438732 0.808642 Na\n0.715773 0.561268 0.308642 Na\n0.215773 0.938732 0.691358 Na\n0.246693 0.711020 0.877954 Na\n0.746693 0.788980 0.122046 Na\n0.753307 0.211020 0.622046 Na\n0.253307 0.288980 0.377954 Na\n0.238158 0.220786 0.866034 Na\n0.738158 0.279214 0.133966 Na\n0.761842 0.720786 0.633966 Na\n0.261842 0.779214 0.366034 Na\n0.198482 0.526551 0.211702 P\n0.698482 0.973449 0.788298 P\n0.801518 0.026551 0.288298 P\n0.301518 0.473449 0.711702 P\n0.240126 0.979736 0.031226 P\n0.740126 0.520264 0.968774 P\n0.759874 0.479736 0.468774 P\n0.259874 0.020264 0.531226 P\n0.314186 0.381265 0.163160 O\n0.685814 0.881265 0.336840 O\n0.814186 0.118735 0.836840 O\n0.185814 0.618735 0.663160 O\n0.217323 0.478446 0.787075 O\n0.717323 0.021554 0.212925 O\n0.782677 0.978446 0.712925 O\n0.282677 0.521554 0.287075 O\n0.015279 0.965743 0.562426 O\n0.515279 0.534257 0.437574 O\n0.984721 0.465743 0.937574 O\n0.484721 0.034257 0.062426 O\n0.277709 0.004257 0.452538 O\n0.777709 0.495743 0.547462 O\n0.722291 0.504257 0.047462 O\n0.222291 0.995743 0.952538 O\n0.477117 0.938887 0.570486 O\n0.977117 0.561113 0.429514 O\n0.522883 0.438887 0.929514 O\n0.022883 0.061113 0.070486 O\n0.574283 0.447885 0.701738 O\n0.074283 0.052115 0.298262 O\n0.425717 0.947885 0.798262 O\n0.925717 0.552115 0.201738 O\n0.316176 0.730457 0.183959 F\n0.816176 0.769543 0.816041 F\n0.683824 0.230457 0.316041 F\n0.183824 0.269543 0.683959 F\n0.282380 0.250720 0.544608 F\n0.717620 0.750720 0.955392 F\n0.782380 0.249280 0.455392 F\n0.217620 0.749280 0.044608 F\n","nsites":56,"nelements":4,"elements":["Na","P","O","F"],"chemical_system":"F-Na-O-P","density":2.57124270729614,"density_atomic":0.07529751377840266,"volume":743.7164547664295,"volume_molar":7.997794957377877,"formula_full":"Na16 P8 O24 F8","formula_reduced":"Na2PO3F","formula_anonymous":"ABC2D3","energy":-350.23097253000003,"energy_per_atom":-6.254124509464286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.04697253,"band_gap":4.9015,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.487000Z","spacegroup":19},{"id":"mp-639727","created_at":"2022-09-04T14:42:26.535587Z","structure_string":"Cs4\n1.0\n2.737034 -4.740682 0.000000\n2.737034 4.740682 0.000000\n0.000000 0.000000 17.755878\nCs\n4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.500000 Cs\n0.666667 0.333333 0.750000 Cs\n","nsites":4,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9158377244386975,"density_atomic":0.008680941442910832,"volume":460.7795164044728,"volume_molar":69.37197767781161,"formula_full":"Cs4","formula_reduced":"Cs","formula_anonymous":"A","energy":-3.47676184,"energy_per_atom":-0.86919046,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.47676184,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0110273,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.431000Z","spacegroup":194},{"id":"mp-1175293","created_at":"2022-09-04T14:42:26.536854Z","structure_string":"Li7 Mn4 Co1 O12\n1.0\n2.899928 0.000000 0.000000\n0.000000 7.498892 3.944022\n0.000000 -0.413567 9.793447\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.166667 0.166667 Li\n0.500000 0.507524 0.490263 Li\n0.500000 0.825809 0.843070 Li\n0.000000 0.529883 0.000319 Li\n0.000000 0.803450 0.333014 Li\n0.000000 0.166667 0.666667 Li\n0.500000 0.666667 0.166667 Li\n0.000000 0.983558 0.004010 Mn\n0.000000 0.349775 0.329323 Mn\n0.500000 0.333781 0.836155 Mn\n0.500000 0.999552 0.497178 Mn\n0.000000 0.666667 0.666667 Co\n0.500000 0.926458 0.149339 O\n0.500000 0.259857 0.481573 O\n0.500000 0.579720 0.828978 O\n0.000000 0.237468 0.988527 O\n0.000000 0.562344 0.335341 O\n0.000000 0.933705 0.645485 O\n0.500000 0.406876 0.183995 O\n0.500000 0.753613 0.504355 O\n0.500000 0.073476 0.851760 O\n0.000000 0.770989 0.997992 O\n0.000000 0.095865 0.344806 O\n0.000000 0.399629 0.687849 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.96075693808507,"density_atomic":0.1102430293602696,"volume":217.7008391303273,"volume_molar":5.462604570053945,"formula_full":"Li7 Mn4 Co1 O12","formula_reduced":"Li7Mn4CoO12","formula_anonymous":"AB4C7D12","energy":-164.97351332,"energy_per_atom":-6.873896388333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.41951332,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9990665,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.816000Z","spacegroup":10},{"id":"mp-1220926","created_at":"2022-09-04T14:42:26.540453Z","structure_string":"Rb12 Na12 Sc8 Mo24 O96\n1.0\n11.001908 0.000000 0.000000\n0.000000 12.709525 -0.004895\n0.000000 -0.007251 18.987957\nRb Na Sc Mo O\n12 12 8 24 96\ndirect\n0.775920 0.341965 0.037405 Rb\n0.714943 0.659365 0.034780 Rb\n0.275920 0.658035 0.462595 Rb\n0.214943 0.340635 0.465220 Rb\n0.224080 0.658035 0.962595 Rb\n0.285057 0.340635 0.965220 Rb\n0.724080 0.341965 0.537405 Rb\n0.785057 0.659365 0.534780 Rb\n0.743855 0.000119 0.066670 Rb\n0.243855 0.999881 0.433330 Rb\n0.256145 0.999881 0.933330 Rb\n0.756145 0.000119 0.566670 Rb\n0.499554 0.328984 0.750031 Na\n0.999554 0.671016 0.749969 Na\n0.500446 0.671016 0.249969 Na\n0.000446 0.328984 0.250031 Na\n0.498427 0.992340 0.247321 Na\n0.998427 0.007660 0.252679 Na\n0.501573 0.007660 0.752679 Na\n0.001573 0.992340 0.747321 Na\n0.571046 0.837559 0.900323 Na\n0.071046 0.162441 0.599677 Na\n0.428954 0.162441 0.099677 Na\n0.928954 0.837559 0.400323 Na\n0.250056 0.498979 0.784252 Sc\n0.750056 0.501021 0.715748 Sc\n0.749944 0.501021 0.215748 Sc\n0.249944 0.498979 0.284252 Sc\n0.925235 0.161735 0.899183 Sc\n0.425235 0.838265 0.600817 Sc\n0.074765 0.838265 0.100817 Sc\n0.574765 0.161735 0.399183 Sc\n0.585217 0.143183 0.910804 Mo\n0.923306 0.861929 0.915459 Mo\n0.085217 0.856817 0.589196 Mo\n0.423306 0.138071 0.584541 Mo\n0.414783 0.856817 0.089196 Mo\n0.076694 0.138071 0.084541 Mo\n0.914783 0.143183 0.410804 Mo\n0.576694 0.861929 0.415459 Mo\n0.212730 0.198198 0.790165 Mo\n0.282595 0.801480 0.785275 Mo\n0.712730 0.801802 0.709835 Mo\n0.782595 0.198520 0.714725 Mo\n0.787270 0.801802 0.209835 Mo\n0.717405 0.198520 0.214725 Mo\n0.287270 0.198198 0.290165 Mo\n0.217405 0.801480 0.285275 Mo\n0.453324 0.533346 0.620967 Mo\n0.046441 0.472122 0.621453 Mo\n0.953324 0.466654 0.879033 Mo\n0.546441 0.527878 0.878547 Mo\n0.546676 0.466654 0.379033 Mo\n0.953559 0.527878 0.378547 Mo\n0.046676 0.533346 0.120967 Mo\n0.453559 0.472122 0.121453 Mo\n0.400306 0.451691 0.553282 O\n0.101085 0.553098 0.553162 O\n0.900306 0.548309 0.946718 O\n0.601085 0.446902 0.946838 O\n0.599694 0.548309 0.446718 O\n0.898915 0.446902 0.446838 O\n0.099694 0.451691 0.053282 O\n0.398915 0.553098 0.053162 O\n0.483715 0.165875 0.982159 O\n0.021956 0.837330 0.991422 O\n0.983715 0.834125 0.517841 O\n0.521956 0.162670 0.508578 O\n0.516285 0.834125 0.017841 O\n0.978044 0.162670 0.008578 O\n0.016285 0.165875 0.482159 O\n0.478044 0.837330 0.491422 O\n0.748420 0.151348 0.938902 O\n0.772291 0.850282 0.945725 O\n0.248420 0.848652 0.561098 O\n0.272291 0.149718 0.554275 O\n0.251580 0.848652 0.061098 O\n0.227709 0.149718 0.054275 O\n0.751580 0.151348 0.438902 O\n0.727709 0.850282 0.445725 O\n0.616429 0.513819 0.632284 O\n0.880322 0.486790 0.633531 O\n0.116429 0.486181 0.867716 O\n0.380322 0.513210 0.866469 O\n0.383571 0.486181 0.367716 O\n0.119678 0.513210 0.366469 O\n0.883571 0.513819 0.132284 O\n0.619678 0.486790 0.133531 O\n0.419244 0.668037 0.597683 O\n0.082566 0.342901 0.597204 O\n0.919244 0.331963 0.902317 O\n0.582566 0.657099 0.902796 O\n0.580756 0.331963 0.402317 O\n0.917434 0.657099 0.402796 O\n0.080756 0.668037 0.097683 O\n0.417434 0.342901 0.097204 O\n0.551206 0.015753 0.877698 O\n0.948461 0.997426 0.884187 O\n0.051206 0.984247 0.622302 O\n0.448461 0.002574 0.615813 O\n0.448794 0.984247 0.122302 O\n0.051539 0.002574 0.115813 O\n0.948794 0.015753 0.377698 O\n0.551539 0.997426 0.384187 O\n0.383411 0.497827 0.704070 O\n0.117656 0.504230 0.706113 O\n0.883411 0.502173 0.795930 O\n0.617656 0.495770 0.793887 O\n0.616589 0.502173 0.295930 O\n0.882344 0.495770 0.293887 O\n0.116589 0.497827 0.204070 O\n0.382344 0.504230 0.206113 O\n0.117016 0.180285 0.868480 O\n0.366784 0.817646 0.863786 O\n0.617016 0.819715 0.631520 O\n0.866784 0.182354 0.636214 O\n0.882984 0.819715 0.131520 O\n0.633216 0.182354 0.136214 O\n0.382984 0.180285 0.368480 O\n0.133216 0.817646 0.363786 O\n0.334133 0.107603 0.795684 O\n0.161877 0.891859 0.793747 O\n0.834133 0.892397 0.704316 O\n0.661877 0.108141 0.706253 O\n0.665867 0.892397 0.204316 O\n0.838123 0.108141 0.206253 O\n0.165867 0.107603 0.295684 O\n0.338123 0.891859 0.293747 O\n0.125573 0.165337 0.716295 O\n0.374996 0.833918 0.707984 O\n0.625573 0.834663 0.783705 O\n0.874996 0.166082 0.792016 O\n0.874427 0.834663 0.283705 O\n0.625004 0.166082 0.292016 O\n0.374427 0.165337 0.216295 O\n0.125004 0.833918 0.207984 O\n0.272650 0.334108 0.787298 O\n0.224559 0.666117 0.786527 O\n0.772650 0.665892 0.712702 O\n0.724559 0.333883 0.713473 O\n0.727350 0.665892 0.212702 O\n0.775441 0.333883 0.213473 O\n0.227350 0.334108 0.287298 O\n0.275441 0.666117 0.286527 O\n0.555105 0.237076 0.844616 O\n0.947500 0.768055 0.848598 O\n0.055105 0.762924 0.655384 O\n0.447500 0.231945 0.651402 O\n0.444895 0.762924 0.155384 O\n0.052500 0.231945 0.151402 O\n0.944895 0.237076 0.344616 O\n0.552500 0.768055 0.348598 O\n","nsites":152,"nelements":5,"elements":["Rb","Na","Sc","Mo","O"],"chemical_system":"Mo-Na-O-Rb-Sc","density":3.439599655203093,"density_atomic":0.05724902353599573,"volume":2655.067119257133,"volume_molar":10.519202578561949,"formula_full":"Rb12 Na12 Sc8 Mo24 O96","formula_reduced":"Rb3Na3Sc2(MoO4)6","formula_anonymous":"A2B3C3D6E24","energy":-1175.8240155,"energy_per_atom":-7.735684312500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1033.0240155,"band_gap":3.4467,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.113000Z","spacegroup":14}]}