{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=27","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=25","results":[{"id":"mp-1227101","created_at":"2022-09-04T14:41:17.270892Z","structure_string":"Ca2 Ta2 Al2 O10\n1.0\n4.507023 3.393793 0.000000\n-4.507023 3.393793 0.000000\n0.000000 3.105849 6.782588\nCa Ta Al O\n2 2 2 10\ndirect\n0.335860 0.669372 0.770413 Ca\n0.669372 0.335860 0.270413 Ca\n0.003448 0.998594 0.500760 Ta\n0.998594 0.003448 0.000760 Ta\n0.317222 0.686758 0.250775 Al\n0.686758 0.317222 0.750775 Al\n0.073316 0.924969 0.751316 O\n0.924969 0.073316 0.251316 O\n0.632556 0.750393 0.087718 O\n0.247677 0.368428 0.412301 O\n0.368428 0.247677 0.912301 O\n0.750393 0.632556 0.587718 O\n0.310700 0.906147 0.384584 O\n0.100898 0.693661 0.113934 O\n0.693661 0.100898 0.613934 O\n0.906147 0.310700 0.884584 O\n","nsites":16,"nelements":4,"elements":["Ca","Ta","Al","O"],"chemical_system":"Al-Ca-O-Ta","density":5.249987031084977,"density_atomic":0.07711154876568872,"volume":207.4916177422091,"volume_molar":7.809648303523103,"formula_full":"Ca2 Ta2 Al2 O10","formula_reduced":"CaTaAlO5","formula_anonymous":"ABCD5","energy":-140.44331748,"energy_per_atom":-8.7777073425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.57331748,"band_gap":3.8744,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.309000Z","spacegroup":9},{"id":"mp-1047117","created_at":"2022-09-04T14:41:45.867079Z","structure_string":"Mg4 Co2 W2 O12\n1.0\n2.611150 -2.649980 -3.656811\n2.618107 2.926735 -3.948950\n7.813607 2.569253 3.675341\nMg Co W O\n4 2 2 12\ndirect\n0.324895 0.365792 0.103679 Mg\n0.825003 0.365780 0.603625 Mg\n0.071359 0.870355 0.353858 Mg\n0.571293 0.870400 0.853857 Mg\n0.248680 0.511918 0.746056 Co\n0.748580 0.511969 0.246092 Co\n0.517466 0.977839 0.501933 W\n0.017499 0.977782 0.001863 W\n0.862576 0.701462 0.050623 O\n0.362542 0.701445 0.550591 O\n0.305086 0.701551 0.193044 O\n0.804938 0.701635 0.693058 O\n0.799630 0.699430 0.400757 O\n0.299632 0.699409 0.900756 O\n0.736016 0.180843 0.452646 O\n0.236124 0.180786 0.952667 O\n0.779682 0.182219 0.135030 O\n0.279688 0.182326 0.635017 O\n0.237939 0.178805 0.315962 O\n0.738154 0.178765 0.815939 O\n","nsites":20,"nelements":4,"elements":["Mg","Co","W","O"],"chemical_system":"Co-Mg-O-W","density":5.824692758655561,"density_atomic":0.09054973504347436,"volume":220.87309245463484,"volume_molar":6.650644264291524,"formula_full":"Mg4 Co2 W2 O12","formula_reduced":"Mg2CoWO6","formula_anonymous":"ABC2D6","energy":-153.72030772,"energy_per_atom":-7.686015385999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.32430772,"band_gap":2.4392,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.409000Z","spacegroup":146},{"id":"mp-1203308","created_at":"2022-09-04T14:41:21.377478Z","structure_string":"H38 C12 N14 O8\n1.0\n7.667339 0.000000 0.000000\n3.260919 9.544712 0.000000\n1.978769 4.186403 10.058125\nH C N O\n38 12 14 8\ndirect\n0.022973 0.602664 0.573401 H\n0.977027 0.397336 0.426599 H\n0.857326 0.521488 0.687764 H\n0.142674 0.478512 0.312236 H\n0.817005 0.732514 0.886460 H\n0.182995 0.267486 0.113540 H\n0.746878 0.591023 0.866588 H\n0.253122 0.408977 0.133412 H\n0.267384 0.738749 0.175561 H\n0.732616 0.261251 0.824439 H\n0.648497 0.399318 0.046480 H\n0.351503 0.600682 0.953520 H\n0.659215 0.383546 0.372219 H\n0.340785 0.616454 0.627781 H\n0.439033 0.515649 0.365570 H\n0.560967 0.484351 0.634430 H\n0.204388 0.938700 0.926329 H\n0.795612 0.061300 0.073671 H\n0.297921 0.945009 0.765257 H\n0.702079 0.054991 0.234743 H\n0.447426 0.911956 0.888177 H\n0.552574 0.088044 0.111823 H\n0.297622 0.338994 0.639064 H\n0.702378 0.661006 0.360936 H\n0.233170 0.206348 0.600736 H\n0.766830 0.793652 0.399264 H\n0.467234 0.172128 0.631993 H\n0.532766 0.827872 0.368007 H\n0.219850 0.328304 0.841747 H\n0.780150 0.671696 0.158253 H\n0.205985 0.933117 0.150265 H\n0.794015 0.066883 0.849735 H\n0.085732 0.858161 0.494491 H\n0.914268 0.141839 0.505509 H\n0.082043 0.003510 0.335230 H\n0.917957 0.996490 0.664770 H\n0.778058 0.317237 0.191778 H\n0.221942 0.682763 0.808222 H\n0.933237 0.681370 0.723514 C\n0.066763 0.318630 0.276486 C\n0.179152 0.780023 0.344754 C\n0.820848 0.219977 0.655246 C\n0.522989 0.467764 0.198394 C\n0.477011 0.532236 0.801606 C\n0.309601 0.973450 0.848315 C\n0.690399 0.026550 0.151685 C\n0.322429 0.218132 0.660837 C\n0.677571 0.781868 0.339163 C\n0.231963 0.205282 0.888458 C\n0.768037 0.794718 0.111542 C\n0.939683 0.591799 0.658442 N\n0.060317 0.408201 0.341558 N\n0.821799 0.667691 0.834487 N\n0.178201 0.332309 0.165513 N\n0.216470 0.822782 0.212071 N\n0.783530 0.177218 0.787929 N\n0.111720 0.890571 0.393682 N\n0.888280 0.109429 0.606318 N\n0.660597 0.385574 0.142046 N\n0.339403 0.614426 0.857954 N\n0.544222 0.454067 0.322279 N\n0.455778 0.545933 0.677721 N\n0.281729 0.136699 0.801558 N\n0.718271 0.863301 0.198442 N\n0.032034 0.773731 0.682132 O\n0.967966 0.226269 0.317868 O\n0.206847 0.640442 0.421400 O\n0.793153 0.359558 0.578600 O\n0.375817 0.555365 0.138138 O\n0.624183 0.444635 0.861862 O\n0.200806 0.141135 0.010751 O\n0.799194 0.858865 0.989249 O\n","nsites":72,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.1426689294007224,"density_atomic":0.09781556634745665,"volume":736.0791609000596,"volume_molar":6.156628218670622,"formula_full":"H38 C12 N14 O8","formula_reduced":"H19C6N7O4","formula_anonymous":"A4B6C7D19","energy":-439.67080784,"energy_per_atom":-6.106538997777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-429.12080784,"band_gap":4.7942,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.646000Z","spacegroup":2},{"id":"mp-1111824","created_at":"2022-09-04T14:41:23.848675Z","structure_string":"Cs2 Na1 Lu1 Cl6\n1.0\n0.000000 5.409423 5.409423\n5.409423 0.000000 5.409423\n5.409423 5.409423 0.000000\nCs Na Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Lu\n0.760587 0.239413 0.239413 Cl\n0.239413 0.239413 0.760587 Cl\n0.239413 0.760587 0.760587 Cl\n0.239413 0.760587 0.239413 Cl\n0.760587 0.239413 0.760587 Cl\n0.760587 0.760587 0.239413 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Na","Lu","Cl"],"chemical_system":"Cl-Cs-Lu-Na","density":3.5483371273301274,"density_atomic":0.03158763962407462,"volume":316.5795266442912,"volume_molar":19.06486471186092,"formula_full":"Cs2 Na1 Lu1 Cl6","formula_reduced":"Cs2NaLuCl6","formula_anonymous":"ABC2D6","energy":-43.76243414,"energy_per_atom":-4.376243414,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.07843414,"band_gap":5.494,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.455000Z","spacegroup":225},{"id":"mp-1213894","created_at":"2022-09-04T14:41:33.083931Z","structure_string":"Ca4 Y4 B4 O16\n1.0\n3.640365 0.000000 0.000000\n0.000000 9.671181 0.000000\n0.000000 0.000000 10.504856\nCa Y B O\n4 4 4 16\ndirect\n0.250000 0.669096 0.082422 Ca\n0.750000 0.330904 0.917578 Ca\n0.750000 0.169096 0.417578 Ca\n0.250000 0.830904 0.582422 Ca\n0.250000 0.088740 0.111423 Y\n0.750000 0.911260 0.888577 Y\n0.750000 0.588740 0.388577 Y\n0.250000 0.411260 0.611423 Y\n0.250000 0.368281 0.201190 B\n0.750000 0.631719 0.798810 B\n0.750000 0.868281 0.298810 B\n0.250000 0.131719 0.701190 B\n0.250000 0.500342 0.251719 O\n0.750000 0.499658 0.748281 O\n0.750000 0.000342 0.248281 O\n0.250000 0.999658 0.751719 O\n0.250000 0.249472 0.277059 O\n0.750000 0.750528 0.722941 O\n0.750000 0.749472 0.222941 O\n0.250000 0.250528 0.777059 O\n0.250000 0.350709 0.068163 O\n0.750000 0.649291 0.931837 O\n0.750000 0.850709 0.431837 O\n0.250000 0.149291 0.568163 O\n0.250000 0.614817 0.506339 O\n0.750000 0.385183 0.493661 O\n0.750000 0.114817 0.993661 O\n0.250000 0.885183 0.006339 O\n","nsites":28,"nelements":4,"elements":["Ca","Y","B","O"],"chemical_system":"B-Ca-O-Y","density":3.660013052146392,"density_atomic":0.07570829858395542,"volume":369.84056601073763,"volume_molar":7.9543998116954775,"formula_full":"Ca4 Y4 B4 O16","formula_reduced":"CaYBO4","formula_anonymous":"ABCD4","energy":-238.4351539,"energy_per_atom":-8.515541210714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.4431539,"band_gap":4.3059,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.780000Z","spacegroup":62},{"id":"mp-1215743","created_at":"2022-09-04T14:41:17.784669Z","structure_string":"Zn4 Ga4 Fe4 O16\n1.0\n4.244315 -4.244314 0.000001\n-4.250109 -4.250108 0.000001\n0.000000 0.000002 -8.510240\nZn Ga Fe O\n4 4 4 16\ndirect\n0.000000 0.249999 0.124175 Zn\n0.500000 0.750000 0.624175 Zn\n0.500000 0.250000 0.375825 Zn\n0.000000 0.750000 0.875825 Zn\n0.750000 0.750001 0.250000 Ga\n0.250000 0.249999 0.750000 Ga\n0.250000 0.750001 0.250000 Ga\n0.750000 0.249999 0.750000 Ga\n0.000002 0.500000 0.500001 Fe\n0.500000 0.500001 0.000000 Fe\n0.500000 0.000001 0.000000 Fe\n0.999998 0.000001 0.499999 Fe\n0.229678 0.750002 0.487537 O\n0.729678 0.249998 0.987537 O\n0.770322 0.750002 0.487537 O\n0.270322 0.249998 0.987537 O\n0.270322 0.750002 0.012463 O\n0.770322 0.249998 0.512463 O\n0.729678 0.750002 0.012463 O\n0.229678 0.249998 0.512463 O\n0.000000 0.975542 0.259769 O\n0.500000 0.475542 0.759769 O\n0.000000 0.524458 0.259769 O\n0.500000 0.024457 0.759769 O\n0.500000 0.524458 0.240232 O\n0.000000 0.024458 0.740230 O\n0.500000 0.975542 0.240231 O\n0.000000 0.475542 0.740231 O\n","nsites":28,"nelements":4,"elements":["Zn","Ga","Fe","O"],"chemical_system":"Fe-Ga-O-Zn","density":5.516030131792191,"density_atomic":0.09119660127351283,"volume":307.02898582836036,"volume_molar":6.60347060735154,"formula_full":"Zn4 Ga4 Fe4 O16","formula_reduced":"ZnGaFeO4","formula_anonymous":"ABCD4","energy":-184.95487321,"energy_per_atom":-6.6055311860714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.93887321,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.182000Z","spacegroup":74},{"id":"mp-27791","created_at":"2022-09-04T14:42:05.809222Z","structure_string":"Sr2 Be6 O8\n1.0\n2.311096 -4.002936 0.000000\n2.311096 4.002936 0.000000\n0.000000 0.000000 8.987412\nSr Be O\n2 6 8\ndirect\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.333333 0.666667 0.571253 Be\n0.333333 0.666667 0.928747 Be\n0.666667 0.333333 0.428747 Be\n0.666667 0.333333 0.071253 Be\n0.666117 0.000000 0.500000 O\n0.333883 0.333883 0.000000 O\n0.666667 0.333333 0.250000 O\n0.333333 0.666667 0.750000 O\n0.666117 0.000000 0.000000 O\n0.333883 0.333883 0.500000 O\n0.000000 0.666117 0.500000 O\n0.000000 0.666117 0.000000 O\n","nsites":16,"nelements":3,"elements":["Sr","Be","O"],"chemical_system":"Be-O-Sr","density":3.5680498490720094,"density_atomic":0.09621852688370948,"volume":166.2881413611511,"volume_molar":6.258816212472688,"formula_full":"Sr2 Be6 O8","formula_reduced":"SrBe3O4","formula_anonymous":"AB3C4","energy":-115.20559608,"energy_per_atom":-7.200349755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.70959608,"band_gap":4.1301000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.628000Z","spacegroup":190},{"id":"mp-1031708","created_at":"2022-09-04T14:41:23.271641Z","structure_string":"Ca1 Mg6 C1 O8\n1.0\n8.651816 0.000000 0.000000\n0.000000 4.331239 0.000000\n0.000000 0.000000 4.331239\nCa Mg C O\n1 6 1 8\ndirect\n0.000000 0.000000 -0.000000 Ca\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252428 0.000000 0.500000 Mg\n0.747572 0.000000 0.500000 Mg\n0.252428 0.500000 -0.000000 Mg\n0.747572 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 C\n0.263577 -0.000000 -0.000000 O\n0.736423 0.000000 0.000000 O\n0.250245 0.500000 0.500000 O\n0.749755 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n","nsites":16,"nelements":4,"elements":["Ca","Mg","C","O"],"chemical_system":"C-Ca-Mg-O","density":3.3344208128521933,"density_atomic":0.09857990835007094,"volume":162.3048780201923,"volume_molar":6.108892634201426,"formula_full":"Ca1 Mg6 C1 O8","formula_reduced":"CaMg6CO8","formula_anonymous":"ABC6D8","energy":-98.55701908,"energy_per_atom":-6.1598136925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.06101908,"band_gap":2.9982,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.986000Z","spacegroup":123},{"id":"mp-1191673","created_at":"2022-09-04T14:41:23.054928Z","structure_string":"Na4 B2 S2 O8 F6\n1.0\n6.707265 0.000000 0.000000\n0.673888 6.691368 0.000000\n2.704334 0.393277 6.157842\nNa B S O F\n4 2 2 8 6\ndirect\n0.729864 0.845648 0.384754 Na\n0.270136 0.154352 0.615246 Na\n0.723017 0.404160 0.765857 Na\n0.276983 0.595840 0.234143 Na\n0.837929 0.875300 0.855465 B\n0.162071 0.124700 0.144535 B\n0.229665 0.650638 0.726561 S\n0.770335 0.349362 0.273439 S\n0.022120 0.761273 0.893447 O\n0.977880 0.238727 0.106553 O\n0.348476 0.563382 0.858364 O\n0.651524 0.436618 0.141636 O\n0.156611 0.499720 0.630117 O\n0.843389 0.500280 0.369883 O\n0.349952 0.801457 0.556825 O\n0.650048 0.198543 0.443175 O\n0.765698 0.773125 0.725119 F\n0.234302 0.226875 0.274881 F\n0.902292 0.067562 0.749542 F\n0.097708 0.932438 0.250458 F\n0.672059 0.898857 0.062658 F\n0.327941 0.101143 0.937342 F\n","nsites":22,"nelements":5,"elements":["Na","B","S","O","F"],"chemical_system":"B-F-Na-O-S","density":2.521713399756262,"density_atomic":0.07960379248597936,"volume":276.3687421535207,"volume_molar":7.565143031421124,"formula_full":"Na4 B2 S2 O8 F6","formula_reduced":"Na2BSO4F3","formula_anonymous":"ABC2D3E4","energy":-135.59343721,"energy_per_atom":-6.163338055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.32543721,"band_gap":5.7662,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.424000Z","spacegroup":2},{"id":"mp-1517509","created_at":"2022-09-04T14:41:22.724043Z","structure_string":"Na1 Sr1 Ce1 Nb1 O6\n1.0\n0.000000 -4.233922 -4.233922\n4.233922 0.000000 -4.233922\n4.233922 -4.233922 0.000000\nNa Sr Ce Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737454 0.262546 0.262546 O\n0.262546 0.737454 0.737454 O\n0.737454 0.262546 0.737454 O\n0.262546 0.737454 0.262546 O\n0.737454 0.737454 0.262546 O\n0.262546 0.262546 0.737454 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Ce","Nb","O"],"chemical_system":"Ce-Na-Nb-O-Sr","density":4.809239778669836,"density_atomic":0.06587815771560307,"volume":151.79538024074898,"volume_molar":9.14133146527513,"formula_full":"Na1 Sr1 Ce1 Nb1 O6","formula_reduced":"NaSrCeNbO6","formula_anonymous":"ABCDE6","energy":-80.29393035,"energy_per_atom":-8.029393035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.17193035,"band_gap":2.1442,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.950000Z","spacegroup":216},{"id":"mp-1244980","created_at":"2022-09-04T14:41:28.190632Z","structure_string":"Zn50 S50\n1.0\n13.523108 0.512789 -0.311606\n0.611428 13.237389 0.027604\n-0.379339 0.062859 13.579824\nZn S\n50 50\ndirect\n0.920983 0.450821 0.978882 Zn\n0.432946 0.209336 0.142651 Zn\n0.351017 0.000173 0.949870 Zn\n0.939384 0.708109 0.986125 Zn\n0.299028 0.132261 0.719589 Zn\n0.688827 0.752883 0.926780 Zn\n0.850720 0.230635 0.194601 Zn\n0.524335 0.523391 0.376210 Zn\n0.906176 0.637232 0.811140 Zn\n0.152914 0.783530 0.157450 Zn\n0.289193 0.783104 0.282072 Zn\n0.068177 0.147810 0.038118 Zn\n0.343458 0.375195 0.679517 Zn\n0.823229 0.484781 0.371449 Zn\n0.882524 0.261800 0.902124 Zn\n0.413420 0.271685 0.900908 Zn\n0.502590 0.487724 0.044937 Zn\n0.567672 0.172260 0.770092 Zn\n0.993327 0.039605 0.278965 Zn\n0.642446 0.281035 0.011965 Zn\n0.207854 0.063126 0.410296 Zn\n0.006465 0.881025 0.504607 Zn\n0.633565 0.642370 0.130513 Zn\n0.747100 0.010880 0.389837 Zn\n0.614900 0.762970 0.350435 Zn\n0.816072 0.243570 0.439112 Zn\n0.098175 0.959724 0.003933 Zn\n0.946938 0.417693 0.585022 Zn\n0.006671 0.665757 0.495234 Zn\n0.874023 0.151720 0.631596 Zn\n0.245257 0.525674 0.410604 Zn\n0.474642 0.000235 0.365615 Zn\n0.827680 0.753345 0.264903 Zn\n0.159510 0.284102 0.260174 Zn\n0.779378 0.703373 0.547559 Zn\n0.327079 0.748670 0.097222 Zn\n0.548043 0.633015 0.837085 Zn\n0.048729 0.559986 0.152380 Zn\n0.279941 0.793505 0.497023 Zn\n0.376263 0.262097 0.355041 Zn\n0.311542 0.609760 0.663244 Zn\n0.303153 0.810855 0.763071 Zn\n0.119940 0.315065 0.822198 Zn\n0.047259 0.748463 0.790811 Zn\n0.532444 0.928941 0.801458 Zn\n0.822992 0.969325 0.852232 Zn\n0.058354 0.075151 0.849637 Zn\n0.311967 0.545067 0.887555 Zn\n0.292539 0.446785 0.172710 Zn\n0.860468 0.885278 0.157626 Zn\n0.497549 0.760465 0.164240 S\n0.360759 0.971969 0.774366 S\n0.642408 0.557343 0.988518 S\n0.439767 0.528966 0.773778 S\n0.543084 0.343157 0.130948 S\n0.768655 0.339453 0.304553 S\n0.521945 0.795303 0.907045 S\n0.048615 0.025969 0.441874 S\n0.026929 0.192683 0.201513 S\n0.345838 0.566794 0.057817 S\n0.422972 0.214529 0.660570 S\n0.275402 0.376951 0.842662 S\n0.072600 0.764318 0.615694 S\n0.569901 0.316268 0.858966 S\n0.186472 0.700834 0.393237 S\n0.039875 0.314849 0.967958 S\n0.034302 0.916744 0.156773 S\n0.449116 0.121883 0.990565 S\n0.797094 0.207408 0.032208 S\n0.958036 0.255572 0.539416 S\n0.240225 0.482977 0.578412 S\n0.134951 0.166672 0.734122 S\n0.324067 0.930566 0.386057 S\n0.228065 0.230632 0.416498 S\n0.270703 0.280828 0.130756 S\n0.976280 0.458690 0.749270 S\n0.103312 0.671053 0.042568 S\n0.870581 0.789200 0.438639 S\n0.214110 0.677133 0.804826 S\n0.387977 0.440959 0.333419 S\n0.386346 0.754045 0.622100 S\n0.885966 0.566261 0.091257 S\n0.618923 0.909880 0.425339 S\n0.818022 0.044718 0.245687 S\n0.145048 0.468621 0.265386 S\n0.744066 0.119246 0.521894 S\n0.007644 0.906487 0.855752 S\n0.711275 0.627196 0.285339 S\n0.978803 0.508468 0.447775 S\n0.462620 0.700140 0.303518 S\n0.812042 0.846525 0.984252 S\n0.724251 0.655302 0.780293 S\n0.500161 0.153344 0.301711 S\n0.258286 0.874028 0.983628 S\n0.845585 0.425062 0.818583 S\n0.727251 0.780537 0.685902 S\n0.657642 0.019631 0.767647 S\n0.886265 0.124797 0.797423 S\n0.596791 0.524061 0.529129 S\n0.750154 0.532529 0.525132 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.337210928998438,"density_atomic":0.04123592746205983,"volume":2425.069742689977,"volume_molar":14.604111343296022,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-341.6701571,"energy_per_atom":-3.416701571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-316.5201571,"band_gap":1.3911,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.614000Z","spacegroup":1},{"id":"mp-550454","created_at":"2022-09-04T14:42:22.871565Z","structure_string":"Ba2 Mn2 As2 O1\n1.0\n4.100898 0.000722 1.267268\n1.501751 5.887816 2.411043\n-4.063444 0.058702 5.874852\nBa Mn As O\n2 2 2 1\ndirect\n0.753191 0.196339 0.702838 Ba\n0.246817 0.803655 0.297170 Ba\n0.614273 0.697264 0.925807 Mn\n0.385724 0.302744 0.074190 Mn\n0.964915 0.350016 0.279677 As\n0.035082 0.649979 0.720318 As\n0.499999 0.000005 0.999999 O\n","nsites":7,"nelements":4,"elements":["Ba","Mn","As","O"],"chemical_system":"As-Ba-Mn-O","density":5.323140032634685,"density_atomic":0.04077180682958055,"volume":171.68726490976593,"volume_molar":14.770355371228844,"formula_full":"Ba2 Mn2 As2 O1","formula_reduced":"Ba2Mn2As2O","formula_anonymous":"AB2C2D2","energy":-45.32546663,"energy_per_atom":-6.4750666614285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.30246663,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.003000Z","spacegroup":12}]}