{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=10219","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=10217","results":[{"id":"mp-26679","created_at":"2022-09-04T14:43:58.947207Z","structure_string":"Li6 Ni4 P6 O24\n1.0\n2.660935 4.112387 0.000000\n-2.660935 4.112387 0.000000\n0.000000 0.039878 18.809069\nLi Ni P O\n6 4 6 24\ndirect\n0.327698 0.327698 0.416315 Li\n0.328864 0.328864 0.748163 Li\n0.672302 0.672302 0.583685 Li\n0.999651 0.999651 0.333593 Li\n0.000349 0.000349 0.666407 Li\n0.671136 0.671136 0.251837 Li\n0.000608 0.000608 0.165763 Ni\n0.000000 0.000000 0.000000 Ni\n0.999392 0.999392 0.834237 Ni\n0.000000 0.000000 0.500000 Ni\n0.643820 0.643820 0.418887 P\n0.645309 0.645309 0.083592 P\n0.354691 0.354691 0.916408 P\n0.356180 0.356180 0.581113 P\n0.354783 0.354783 0.247908 P\n0.645217 0.645217 0.752092 P\n0.748854 0.748854 0.152791 O\n0.256380 0.256380 0.318131 O\n0.753890 0.753890 0.016311 O\n0.296664 0.767477 0.753553 O\n0.745380 0.745380 0.349708 O\n0.235243 0.704774 0.580114 O\n0.245281 0.245281 0.514986 O\n0.704774 0.235243 0.580114 O\n0.754719 0.754719 0.485014 O\n0.767477 0.296664 0.753553 O\n0.743620 0.743620 0.681869 O\n0.224066 0.703350 0.917041 O\n0.246110 0.246110 0.983689 O\n0.764757 0.295226 0.419886 O\n0.254620 0.254620 0.650292 O\n0.775934 0.296650 0.082959 O\n0.757724 0.757724 0.817307 O\n0.242276 0.242276 0.182693 O\n0.296650 0.775934 0.082959 O\n0.703350 0.224066 0.917041 O\n0.251146 0.251146 0.847209 O\n0.703336 0.232523 0.246447 O\n0.295226 0.764757 0.419886 O\n0.232523 0.703336 0.246447 O\n","nsites":40,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":3.413666552565205,"density_atomic":0.09717050336579611,"volume":411.6475536760464,"volume_molar":6.1974987793670175,"formula_full":"Li6 Ni4 P6 O24","formula_reduced":"Li3Ni2(PO4)3","formula_anonymous":"A2B3C3D12","energy":-276.22850228,"energy_per_atom":-6.905712556999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-249.57650228,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.6848156,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.550000Z","spacegroup":12},{"id":"mp-1183128","created_at":"2022-09-04T14:43:58.951573Z","structure_string":"Al1 V1 O3\n1.0\n3.640495 0.000000 0.000000\n0.000000 3.640495 0.000000\n0.000000 0.000000 3.640495\nAl V O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Al","V","O"],"chemical_system":"Al-O-V","density":4.333779068004552,"density_atomic":0.10363076105925531,"volume":48.24822233179429,"volume_molar":5.811151726036813,"formula_full":"Al1 V1 O3","formula_reduced":"AlVO3","formula_anonymous":"ABC3","energy":-39.02942917,"energy_per_atom":-7.805885834,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.26842917,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9986968,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.487000Z","spacegroup":221},{"id":"mp-1208034","created_at":"2022-09-04T14:43:58.959740Z","structure_string":"U8 Ni4 C12\n1.0\n3.550257 0.000000 0.000000\n0.000000 6.384355 0.000000\n0.000000 0.000000 13.147870\nU Ni C\n8 4 12\ndirect\n0.250000 0.751941 0.022666 U\n0.750000 0.248059 0.977334 U\n0.750000 0.748059 0.522666 U\n0.250000 0.251941 0.477334 U\n0.250000 0.626141 0.290453 U\n0.750000 0.373859 0.709547 U\n0.750000 0.873859 0.790453 U\n0.250000 0.126141 0.209547 U\n0.250000 0.508215 0.848207 Ni\n0.750000 0.491785 0.151793 Ni\n0.750000 0.991785 0.348207 Ni\n0.250000 0.008215 0.651793 Ni\n0.250000 0.680349 0.677309 C\n0.750000 0.319651 0.322691 C\n0.750000 0.819651 0.177309 C\n0.250000 0.180349 0.822691 C\n0.250000 0.521436 0.597887 C\n0.750000 0.478564 0.402113 C\n0.750000 0.978564 0.097887 C\n0.250000 0.021436 0.902113 C\n0.250000 0.895113 0.409973 C\n0.750000 0.104887 0.590027 C\n0.750000 0.604887 0.909973 C\n0.250000 0.395113 0.090027 C\n","nsites":24,"nelements":3,"elements":["U","Ni","C"],"chemical_system":"C-Ni-U","density":12.721787602139544,"density_atomic":0.08053395360472289,"volume":298.01094973924796,"volume_molar":7.477766197295986,"formula_full":"U8 Ni4 C12","formula_reduced":"U2NiC3","formula_anonymous":"AB2C3","energy":-227.92782138,"energy_per_atom":-9.4969925575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.92782138,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.772145,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.517000Z","spacegroup":62},{"id":"mp-1232260","created_at":"2022-09-04T14:43:58.974521Z","structure_string":"Mg4 In8 S16\n1.0\n3.727608 0.000000 0.000000\n0.000000 12.389995 0.000000\n0.000000 0.000000 12.673836\nMg In S\n4 8 16\ndirect\n0.750000 0.124588 0.425363 Mg\n0.250000 0.875412 0.574637 Mg\n0.250000 0.375412 0.925363 Mg\n0.750000 0.624588 0.074637 Mg\n0.250000 0.109411 0.087116 In\n0.750000 0.890589 0.912884 In\n0.750000 0.390589 0.587116 In\n0.250000 0.609411 0.412884 In\n0.250000 0.145239 0.702225 In\n0.750000 0.854761 0.297775 In\n0.750000 0.354761 0.202225 In\n0.250000 0.645239 0.797775 In\n0.750000 0.025321 0.609483 S\n0.250000 0.974679 0.390517 S\n0.250000 0.474679 0.109483 S\n0.750000 0.525321 0.890517 S\n0.250000 0.032229 0.881711 S\n0.750000 0.967771 0.118289 S\n0.750000 0.467771 0.381711 S\n0.250000 0.532229 0.618289 S\n0.250000 0.214506 0.264934 S\n0.750000 0.785494 0.735066 S\n0.750000 0.285494 0.764934 S\n0.250000 0.714506 0.235066 S\n0.750000 0.250663 0.022754 S\n0.250000 0.749337 0.977246 S\n0.250000 0.249337 0.522754 S\n0.750000 0.750663 0.477246 S\n","nsites":28,"nelements":3,"elements":["Mg","In","S"],"chemical_system":"In-Mg-S","density":4.3370203360583215,"density_atomic":0.04783530881977314,"volume":585.3416794170661,"volume_molar":12.589321379087023,"formula_full":"Mg4 In8 S16","formula_reduced":"Mg(InS2)2","formula_anonymous":"AB2C4","energy":-122.38648054000002,"energy_per_atom":-4.370945733571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.33848054,"band_gap":1.0127000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018582,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.165000Z","spacegroup":62},{"id":"mp-558320","created_at":"2022-09-04T14:43:58.975239Z","structure_string":"K6 U6 Si4 O26\n1.0\n4.833009 -8.371017 0.000000\n4.833009 8.371017 0.000000\n0.000000 0.000000 8.463712\nK U Si O\n6 6 4 26\ndirect\n0.958944 0.573835 0.750000 K\n0.041056 0.614890 0.250000 K\n0.426165 0.385110 0.750000 K\n0.385110 0.426165 0.250000 K\n0.614890 0.041056 0.750000 K\n0.573835 0.958944 0.250000 K\n0.756142 0.756142 0.000000 U\n0.000000 0.243858 0.000000 U\n0.243858 0.000000 0.500000 U\n0.243858 0.000000 0.000000 U\n0.756142 0.756142 0.500000 U\n0.000000 0.243858 0.500000 U\n0.333333 0.666667 0.555188 Si\n0.666667 0.333333 0.055188 Si\n0.333333 0.666667 0.944812 Si\n0.666667 0.333333 0.444812 Si\n0.001201 0.253971 0.250000 O\n0.323456 0.821142 0.007962 O\n0.323456 0.821142 0.492038 O\n0.000000 0.808908 0.000000 O\n0.252770 0.998799 0.250000 O\n0.808908 0.000000 0.500000 O\n0.502314 0.178858 0.507962 O\n0.000000 0.808908 0.500000 O\n0.676544 0.497686 0.992038 O\n0.821142 0.323456 0.992038 O\n0.497686 0.676544 0.007962 O\n0.808908 0.000000 0.000000 O\n0.497686 0.676544 0.492038 O\n0.178858 0.502314 0.007962 O\n0.746029 0.747230 0.250000 O\n0.191092 0.191092 0.000000 O\n0.821142 0.323456 0.507962 O\n0.253971 0.001201 0.750000 O\n0.998799 0.252770 0.750000 O\n0.676544 0.497686 0.507962 O\n0.502314 0.178858 0.992038 O\n0.747230 0.746029 0.750000 O\n0.191092 0.191092 0.500000 O\n0.178858 0.502314 0.492038 O\n0.666667 0.333333 0.250000 O\n0.333333 0.666667 0.750000 O\n","nsites":42,"nelements":4,"elements":["K","U","Si","O"],"chemical_system":"K-O-Si-U","density":5.312788736068446,"density_atomic":0.06132853493214586,"volume":684.8361867191019,"volume_molar":9.819475985628747,"formula_full":"K6 U6 Si4 O26","formula_reduced":"K3U3Si2O13","formula_anonymous":"A2B3C3D13","energy":-365.2417711700001,"energy_per_atom":-8.696232646904765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-347.3797711700001,"band_gap":0.5497000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0009333,"is_theoretical":false,"updated_at":"2021-11-28T01:36:06.753000Z","spacegroup":190},{"id":"mp-1185036","created_at":"2022-09-04T14:43:58.977954Z","structure_string":"K1 Nd1\n1.0\n3.723056 -0.000276 -0.000005\n-1.861766 3.224007 0.000009\n-0.000009 0.000015 7.246040\nK Nd\n1 1\ndirect\n0.666668 0.333331 0.749998 K\n0.333329 0.666666 0.250000 Nd\n","nsites":2,"nelements":2,"elements":["K","Nd"],"chemical_system":"K-Nd","density":3.500494144466626,"density_atomic":0.02299600085176991,"volume":86.97164402157638,"volume_molar":26.187774121327276,"formula_full":"K1 Nd1","formula_reduced":"KNd","formula_anonymous":"AB","energy":-5.00090124,"energy_per_atom":-2.50045062,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.00090124,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.050824,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.249000Z","spacegroup":187},{"id":"mp-1196629","created_at":"2022-09-04T14:43:58.978491Z","structure_string":"Cr8 Fe4 O38\n1.0\n10.910207 0.000000 0.000000\n0.000000 5.607580 0.000000\n0.000000 5.416360 13.780281\nCr Fe O\n8 4 38\ndirect\n0.095893 0.350270 0.130072 Cr\n0.904107 0.649730 0.869928 Cr\n0.095893 0.649730 0.369928 Cr\n0.904107 0.350270 0.630072 Cr\n0.606379 0.261925 0.153739 Cr\n0.393621 0.738075 0.846261 Cr\n0.606379 0.738075 0.346261 Cr\n0.393621 0.261925 0.653739 Cr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.346383 0.500000 0.250000 Fe\n0.653617 0.500000 0.750000 Fe\n0.105068 0.126102 0.072994 O\n0.894932 0.873898 0.927006 O\n0.105068 0.873898 0.427006 O\n0.894932 0.126102 0.572994 O\n0.091357 0.646604 0.049947 O\n0.908643 0.353396 0.950053 O\n0.091357 0.353396 0.450053 O\n0.908643 0.646604 0.549947 O\n0.974060 0.293356 0.194234 O\n0.025940 0.706644 0.805766 O\n0.974060 0.706644 0.305766 O\n0.025940 0.293356 0.694234 O\n0.219557 0.322551 0.202161 O\n0.780443 0.677449 0.797839 O\n0.219557 0.677449 0.297839 O\n0.780443 0.322551 0.702161 O\n0.671388 0.000000 0.250000 O\n0.328612 0.000000 0.750000 O\n0.700463 0.497873 0.118720 O\n0.299537 0.502127 0.881280 O\n0.700463 0.502127 0.381280 O\n0.299537 0.497873 0.618720 O\n0.473833 0.349751 0.193523 O\n0.526167 0.650249 0.806477 O\n0.473833 0.650249 0.306477 O\n0.526167 0.349751 0.693523 O\n0.575091 0.175579 0.063246 O\n0.424909 0.824421 0.936754 O\n0.575091 0.824421 0.436754 O\n0.424909 0.175579 0.563246 O\n0.892049 0.882466 0.101760 O\n0.107951 0.117534 0.898240 O\n0.892049 0.117534 0.398240 O\n0.107951 0.882466 0.601760 O\n0.347689 0.827961 0.122544 O\n0.652311 0.172039 0.877456 O\n0.347689 0.172039 0.377456 O\n0.652311 0.827961 0.622544 O\n","nsites":50,"nelements":3,"elements":["Cr","Fe","O"],"chemical_system":"Cr-Fe-O","density":2.4567588565891003,"density_atomic":0.05930665941730162,"volume":843.0756426219046,"volume_molar":10.154240382393132,"formula_full":"Cr8 Fe4 O38","formula_reduced":"Cr4Fe2O19","formula_anonymous":"A2B4C19","energy":-349.31081885000003,"energy_per_atom":-6.986216377000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.18881885,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0000021,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.212000Z","spacegroup":13},{"id":"mp-1235359","created_at":"2022-09-04T14:43:58.989213Z","structure_string":"Ba2 Li1 La1 Cu3 O7\n1.0\n3.948130 -0.004354 -0.279808\n-0.004365 3.948120 -0.279971\n-0.797703 -0.798265 12.842232\nBa Li La Cu O\n2 1 1 3 7\ndirect\n0.651274 0.651392 0.781094 Ba\n0.414148 0.414134 0.190964 Ba\n0.259754 0.259831 0.955557 Li\n0.531796 0.531872 0.488419 La\n0.091635 0.091458 0.635495 Cu\n0.977404 0.977709 0.352586 Cu\n0.843660 0.843374 0.038284 Cu\n0.579481 0.079767 0.605708 O\n0.079840 0.579221 0.605701 O\n0.478672 0.978898 0.355304 O\n0.978660 0.479023 0.355313 O\n0.848262 0.345143 0.040909 O\n0.345513 0.848110 0.040857 O\n0.169901 0.170069 0.804032 O\n","nsites":14,"nelements":5,"elements":["Ba","Li","La","Cu","O"],"chemical_system":"Ba-Cu-La-Li-O","density":6.0519266726570065,"density_atomic":0.070559200612007,"volume":198.41494629429846,"volume_molar":8.534876681943611,"formula_full":"Ba2 Li1 La1 Cu3 O7","formula_reduced":"Ba2LiLaCu3O7","formula_anonymous":"ABC2D3E7","energy":-87.34227016,"energy_per_atom":-6.238733582857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.53327016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0354693,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.884000Z","spacegroup":8},{"id":"mp-8291","created_at":"2022-09-04T14:43:58.998229Z","structure_string":"Ba1 Ti1 F6\n1.0\n3.277380 -3.767640 0.000000\n3.277380 3.767640 0.000000\n-1.053858 0.000000 4.881159\nBa Ti F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ti\n0.770767 0.423569 0.770767 F\n0.770767 0.770767 0.423569 F\n0.229233 0.576431 0.229233 F\n0.576431 0.229233 0.229233 F\n0.229233 0.229233 0.576431 F\n0.423569 0.770767 0.770767 F\n","nsites":8,"nelements":3,"elements":["Ba","Ti","F"],"chemical_system":"Ba-F-Ti","density":4.1213445316550334,"density_atomic":0.06636526585181188,"volume":120.54498535217706,"volume_molar":9.074235871286856,"formula_full":"Ba1 Ti1 F6","formula_reduced":"BaTiF6","formula_anonymous":"ABC6","energy":-53.09600693,"energy_per_atom":-6.63700086625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.32400693,"band_gap":4.3236,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.113000Z","spacegroup":166},{"id":"mp-801858","created_at":"2022-09-04T14:43:59.047596Z","structure_string":"Li4 Cr2 Co2 O8\n1.0\n5.791479 0.000000 0.000000\n-2.891984 -5.020752 0.000000\n0.041871 3.313923 -4.753147\nLi Cr Co O\n4 2 2 8\ndirect\n0.493166 0.004056 0.493469 Li\n0.993178 0.508628 0.989882 Li\n0.997461 0.501929 0.496876 Li\n0.997930 0.003127 0.494644 Li\n0.998279 0.000601 0.997835 Cr\n0.498188 0.500942 0.497736 Cr\n0.498126 0.000994 0.997627 Co\n0.498044 0.501222 0.997509 Co\n0.738026 0.468567 0.756823 O\n0.276900 0.988307 0.766078 O\n0.257265 0.006933 0.237723 O\n0.729826 0.534481 0.219218 O\n0.266467 0.467618 0.776027 O\n0.738818 0.995274 0.757408 O\n0.719434 0.013928 0.229185 O\n0.258411 0.533413 0.238465 O\n","nsites":16,"nelements":4,"elements":["Li","Cr","Co","O"],"chemical_system":"Co-Cr-Li-O","density":4.536929616907362,"density_atomic":0.11576585427575717,"volume":138.21001106153113,"volume_molar":5.20200088158561,"formula_full":"Li4 Cr2 Co2 O8","formula_reduced":"Li2CrCoO4","formula_anonymous":"ABC2D4","energy":-110.11038893,"energy_per_atom":-6.881899308125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.34038893,"band_gap":0.4045000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9999996,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.604000Z","spacegroup":1},{"id":"mp-31284","created_at":"2022-09-04T14:43:59.087521Z","structure_string":"Na2 Sn10\n1.0\n6.413040 0.000000 0.000000\n0.000000 6.413040 0.000000\n0.000000 0.000000 8.987921\nNa Sn\n2 10\ndirect\n0.500000 0.000000 0.794236 Na\n0.000000 0.500000 0.205764 Na\n0.342508 0.842508 0.182775 Sn\n0.842508 0.657492 0.817225 Sn\n0.157492 0.342508 0.817225 Sn\n0.657492 0.157492 0.182775 Sn\n0.251665 0.751665 0.498999 Sn\n0.751665 0.748335 0.501001 Sn\n0.248335 0.251665 0.501001 Sn\n0.748335 0.248335 0.498999 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n","nsites":12,"nelements":2,"elements":["Na","Sn"],"chemical_system":"Na-Sn","density":5.539276508335965,"density_atomic":0.03246340740573264,"volume":369.6469643504195,"volume_molar":18.55055042354107,"formula_full":"Na2 Sn10","formula_reduced":"NaSn5","formula_anonymous":"AB5","energy":-43.47761525,"energy_per_atom":-3.6231346041666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.47761525,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0071942,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.142000Z","spacegroup":113},{"id":"mp-626456","created_at":"2022-09-04T14:43:59.114539Z","structure_string":"As12 H4 O24\n1.0\n5.088485 0.000000 0.000000\n0.000000 9.976223 0.000000\n0.000000 3.452261 11.104402\nAs H O\n12 4 24\ndirect\n0.446708 0.298536 0.083005 As\n0.918509 0.173739 0.950490 As\n0.081491 0.673739 0.950490 As\n0.553292 0.798536 0.083005 As\n0.747302 0.832252 0.597294 As\n0.359946 0.710284 0.428911 As\n0.640054 0.210284 0.428911 As\n0.252698 0.332252 0.597294 As\n0.630168 0.490136 0.776305 As\n0.142834 0.004660 0.235995 As\n0.857166 0.504660 0.235995 As\n0.369832 0.990136 0.776305 As\n0.379348 0.138232 0.936953 H\n0.620652 0.638232 0.936953 H\n0.958265 0.626855 0.424881 H\n0.041735 0.126855 0.424881 H\n0.286093 0.225875 0.955975 O\n0.783154 0.265754 0.048907 O\n0.216846 0.765754 0.048907 O\n0.713907 0.725875 0.955975 O\n0.501882 0.517037 0.904786 O\n0.980430 0.005332 0.105728 O\n0.019570 0.505332 0.105728 O\n0.498118 0.017037 0.904786 O\n0.777995 0.655627 0.707871 O\n0.331807 0.846950 0.276940 O\n0.668193 0.346950 0.276940 O\n0.222005 0.155627 0.707871 O\n0.434567 0.819778 0.526057 O\n0.015129 0.697514 0.467968 O\n0.984871 0.197514 0.467968 O\n0.565433 0.319778 0.526057 O\n0.862894 0.360643 0.803759 O\n0.403721 0.126227 0.199163 O\n0.596279 0.626227 0.199163 O\n0.137106 0.860643 0.803759 O\n0.395357 0.462571 0.676033 O\n0.970478 0.019678 0.353229 O\n0.029522 0.519678 0.353229 O\n0.604643 0.962571 0.676033 O\n","nsites":40,"nelements":3,"elements":["As","H","O"],"chemical_system":"As-H-O","density":3.791435357514072,"density_atomic":0.07095943822729897,"volume":563.7023206394482,"volume_molar":8.486736804073525,"formula_full":"As12 H4 O24","formula_reduced":"As3HO6","formula_anonymous":"AB3C6","energy":-247.58250114,"energy_per_atom":-6.1895625285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-231.09450114,"band_gap":3.0456,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002132,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.744000Z","spacegroup":7}]}