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"results": [
{
"id": "mp-759792",
"created_at": "2022-09-04T14:40:36.584065Z",
"structure_string": "Ag8 B32 O52\n1.0\n7.898226 0.000000 0.000000\n0.001662 10.663953 0.000000\n0.001414 2.044047 11.864162\nAg B O\n8 32 52\ndirect\n0.137376 0.463992 0.084600 Ag\n0.362537 0.963908 0.085163 Ag\n0.390827 0.311647 0.382716 Ag\n0.071155 0.802107 0.389916 Ag\n0.927464 0.197690 0.610334 Ag\n0.571540 0.697689 0.610211 Ag\n0.637476 0.036165 0.914759 Ag\n0.862350 0.536153 0.914849 Ag\n0.659177 0.278254 0.004199 B\n0.840942 0.778279 0.004280 B\n0.414093 0.237359 0.137768 B\n0.594758 0.434727 0.124686 B\n0.085994 0.737718 0.137911 B\n0.918241 0.110808 0.239300 B\n0.905245 0.934746 0.124664 B\n0.489653 0.041794 0.296935 B\n0.581520 0.611001 0.239232 B\n0.948970 0.304967 0.327139 B\n0.010247 0.541761 0.296726 B\n0.106868 0.102225 0.397289 B\n0.550309 0.805024 0.327213 B\n0.393098 0.603585 0.397185 B\n0.813576 0.451778 0.441550 B\n0.314211 0.048175 0.558443 B\n0.686015 0.952067 0.441461 B\n0.185980 0.547991 0.558547 B\n0.606829 0.396675 0.602764 B\n0.450341 0.195590 0.672560 B\n0.892978 0.897079 0.602806 B\n0.989369 0.458381 0.703282 B\n0.050102 0.695370 0.672799 B\n0.418497 0.389258 0.760534 B\n0.510602 0.958511 0.703255 B\n0.094774 0.065268 0.875296 B\n0.081514 0.889303 0.760654 B\n0.914071 0.262328 0.862039 B\n0.405289 0.565212 0.875308 B\n0.585930 0.762379 0.861994 B\n0.159000 0.221723 0.995642 B\n0.340950 0.721787 0.995705 B\n0.536880 0.199604 0.058235 O\n0.688301 0.397535 0.036619 O\n0.244189 0.255751 0.084141 O\n0.859789 0.050551 0.153638 O\n0.963237 0.699663 0.058362 O\n0.811849 0.897595 0.036530 O\n0.255780 0.755727 0.084215 O\n0.463297 0.361942 0.170703 O\n0.640285 0.550404 0.153721 O\n0.401737 0.144960 0.243188 O\n0.878102 0.233312 0.244363 O\n0.036304 0.861862 0.171193 O\n0.019860 0.039790 0.322575 O\n0.027478 0.423844 0.266236 O\n0.097804 0.645144 0.243570 O\n0.621962 0.733283 0.244438 O\n0.592632 0.055370 0.388303 O\n0.479181 0.540505 0.322310 O\n0.473092 0.924062 0.266135 O\n0.084159 0.228841 0.397659 O\n0.820483 0.336162 0.407878 O\n0.907056 0.555394 0.388126 O\n0.212384 0.024283 0.470081 O\n0.416260 0.729492 0.398112 O\n0.680545 0.836300 0.407680 O\n0.287394 0.524743 0.469771 O\n0.712165 0.475238 0.529909 O\n0.319469 0.163741 0.592295 O\n0.584395 0.270572 0.602812 O\n0.787718 0.975415 0.529952 O\n0.092434 0.444658 0.611602 O\n0.180465 0.663643 0.592340 O\n0.916394 0.770871 0.602051 O\n0.526872 0.076054 0.733974 O\n0.519946 0.460188 0.677253 O\n0.407683 0.944732 0.611613 O\n0.378025 0.266877 0.755533 O\n0.902376 0.354854 0.756437 O\n0.973075 0.576140 0.733913 O\n0.979682 0.960057 0.677519 O\n0.963709 0.138115 0.828877 O\n0.121884 0.766764 0.755575 O\n0.597770 0.854757 0.756396 O\n0.359783 0.449557 0.846365 O\n0.536377 0.638110 0.828896 O\n0.744271 0.244295 0.915800 O\n0.188172 0.102404 0.963484 O\n0.036742 0.300337 0.941704 O\n0.140238 0.949472 0.846353 O\n0.755769 0.744246 0.915817 O\n0.311851 0.602442 0.963471 O\n0.463245 0.800337 0.941688 O\n",
"nsites": 92,
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"elements": [
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],
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"density": 3.3913985190782046,
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"volume": 999.27459655565,
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"formula_full": "Ag8 B32 O52",
"formula_reduced": "Ag2B8O13",
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"energy": -723.69587663,
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{
"id": "mp-776396",
"created_at": "2022-09-04T14:40:36.586900Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n8.462083 0.000000 0.000000\n0.000000 7.349857 0.000000\n0.000000 3.513224 9.339047\nLi Mn P O\n8 4 8 28\ndirect\n0.137859 0.169042 0.875368 Li\n0.637859 0.830958 0.124632 Li\n0.919725 0.553499 0.164768 Li\n0.115452 0.265141 0.384256 Li\n0.419725 0.446501 0.835232 Li\n0.913814 0.908399 0.717991 Li\n0.413814 0.091601 0.282009 Li\n0.615452 0.734859 0.615744 Li\n0.499392 0.018910 0.750664 Mn\n0.488318 0.483281 0.266666 Mn\n0.988318 0.516719 0.733334 Mn\n0.999392 0.981090 0.249336 Mn\n0.762929 0.154831 0.958120 P\n0.262929 0.845169 0.041880 P\n0.804203 0.574136 0.424096 P\n0.304203 0.425864 0.575904 P\n0.694251 0.576708 0.928195 P\n0.194251 0.423292 0.071805 P\n0.748245 0.143968 0.455988 P\n0.248245 0.856032 0.544012 P\n0.908144 0.219239 0.861882 O\n0.792796 0.052078 0.117995 O\n0.147315 0.973309 0.085661 O\n0.647315 0.026691 0.914339 O\n0.339130 0.653283 0.555664 O\n0.292796 0.947922 0.882005 O\n0.942826 0.669989 0.325016 O\n0.801592 0.590057 0.573286 O\n0.408144 0.780761 0.138118 O\n0.644823 0.637380 0.349402 O\n0.144823 0.362620 0.650598 O\n0.160550 0.646841 0.061585 O\n0.301592 0.409943 0.426714 O\n0.442826 0.330011 0.674984 O\n0.555308 0.675698 0.829621 O\n0.694830 0.581216 0.080755 O\n0.839130 0.346717 0.444336 O\n0.855117 0.646870 0.856389 O\n0.355117 0.353130 0.143611 O\n0.601168 0.197775 0.361293 O\n0.194830 0.418784 0.919245 O\n0.055308 0.324302 0.170379 O\n0.714096 0.029248 0.615837 O\n0.660550 0.353159 0.938415 O\n0.379884 0.959756 0.590564 O\n0.879884 0.040244 0.409436 O\n0.214096 0.970752 0.384163 O\n0.101168 0.802225 0.638707 O\n",
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"elements": [
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"Mn",
"P",
"O"
],
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"density": 2.7760898188945684,
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"volume": 580.8429618094301,
"volume_molar": 7.2873293238993595,
"formula_full": "Li8 Mn4 P8 O28",
"formula_reduced": "Li2MnP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -359.97542488,
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"spacegroup": 4
},
{
"id": "mp-1046616",
"created_at": "2022-09-04T14:40:36.587566Z",
"structure_string": "Sr4 Y2 V4 Ga2 O14\n1.0\n2.787854 11.796772 0.000000\n-2.787854 11.796772 0.000000\n0.000000 1.367305 5.523097\nSr Y V Ga O\n4 2 4 2 14\ndirect\n0.836478 0.855513 0.633857 Sr\n0.144487 0.163522 0.366143 Sr\n0.338719 0.353448 0.178514 Sr\n0.646552 0.661281 0.821486 Sr\n0.501095 0.498905 0.000000 Y\n0.002244 0.997756 0.500000 Y\n0.569499 0.568623 0.432842 V\n0.929759 0.929541 0.072016 V\n0.070459 0.070241 0.927984 V\n0.431377 0.430501 0.567158 V\n0.711544 0.789021 0.182368 Ga\n0.210979 0.288456 0.817632 Ga\n0.676443 0.190519 0.311182 O\n0.368231 0.130937 0.126395 O\n0.175645 0.690804 0.326620 O\n0.193598 0.153345 0.787072 O\n0.826319 0.313150 0.189445 O\n0.326153 0.813312 0.176797 O\n0.869063 0.631769 0.873605 O\n0.309196 0.824355 0.673380 O\n0.809481 0.323557 0.688818 O\n0.702550 0.650119 0.377042 O\n0.846655 0.806402 0.212928 O\n0.349881 0.297450 0.622958 O\n0.686850 0.173681 0.810555 O\n0.186688 0.673847 0.823203 O\n",
"nsites": 26,
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"elements": [
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"Y",
"V",
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],
"chemical_system": "Ga-O-Sr-V-Y",
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"density_atomic": 0.07156941542188719,
"volume": 363.2836714780367,
"volume_molar": 8.414405405578208,
"formula_full": "Sr4 Y2 V4 Ga2 O14",
"formula_reduced": "Sr2YV2GaO7",
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"energy": -202.01220739,
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"spacegroup": 5
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{
"id": "mp-1208941",
"created_at": "2022-09-04T14:40:36.601087Z",
"structure_string": "Sm16 Cd4 Pt4\n1.0\n0.000000 7.013137 7.013137\n7.013137 0.000000 7.013137\n7.013137 7.013137 0.000000\nSm Cd Pt\n16 4 4\ndirect\n0.350002 0.350002 0.350002 Sm\n0.350002 0.350002 0.949994 Sm\n0.350002 0.949994 0.350002 Sm\n0.949994 0.350002 0.350002 Sm\n0.809225 0.190775 0.190775 Sm\n0.190775 0.809225 0.809225 Sm\n0.190775 0.809225 0.190775 Sm\n0.809225 0.190775 0.809225 Sm\n0.190775 0.190775 0.809225 Sm\n0.809225 0.809225 0.190775 Sm\n0.935041 0.564959 0.564959 Sm\n0.564959 0.935041 0.935041 Sm\n0.564959 0.935041 0.564959 Sm\n0.935041 0.564959 0.935041 Sm\n0.564959 0.564959 0.935041 Sm\n0.935041 0.935041 0.564959 Sm\n0.581346 0.581346 0.581346 Cd\n0.581346 0.581346 0.255961 Cd\n0.581346 0.255961 0.581346 Cd\n0.255961 0.581346 0.581346 Cd\n0.142445 0.142445 0.142445 Pt\n0.142445 0.142445 0.572664 Pt\n0.142445 0.572664 0.142445 Pt\n0.572664 0.142445 0.142445 Pt\n",
"nsites": 24,
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"elements": [
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"volume": 689.8695309266852,
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"formula_full": "Sm16 Cd4 Pt4",
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{
"id": "mp-1187676",
"created_at": "2022-09-04T14:40:36.610150Z",
"structure_string": "Tm2 Mg4\n1.0\n0.000000 4.223042 4.223042\n4.223042 0.000000 4.223042\n4.223042 4.223042 0.000000\nTm Mg\n2 4\ndirect\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Tm\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
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{
"id": "mp-985547",
"created_at": "2022-09-04T14:40:36.610897Z",
"structure_string": "Ac6 Sm2\n1.0\n3.931020 -6.808726 0.000000\n3.931020 6.808726 0.000000\n0.000000 0.000000 6.319018\nAc Sm\n6 2\ndirect\n0.168548 0.337096 0.250000 Ac\n0.662904 0.831452 0.250000 Ac\n0.168548 0.831452 0.250000 Ac\n0.831452 0.662904 0.750000 Ac\n0.337096 0.168548 0.750000 Ac\n0.831452 0.168548 0.750000 Ac\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
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],
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"formula_full": "Ac6 Sm2",
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},
{
"id": "mp-1178550",
"created_at": "2022-09-04T14:40:36.698639Z",
"structure_string": "Al4 In4 O12\n1.0\n5.119892 0.000000 0.000000\n0.000000 5.296575 0.000000\n0.000000 0.000000 7.483319\nAl In O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.017613 0.945170 0.750000 In\n0.482387 0.445170 0.750000 In\n0.517613 0.554830 0.250000 In\n0.982387 0.054830 0.250000 In\n0.109899 0.457487 0.250000 O\n0.198404 0.201046 0.558304 O\n0.198404 0.201046 0.941696 O\n0.301596 0.701046 0.558304 O\n0.301596 0.701046 0.941696 O\n0.390101 0.957487 0.250000 O\n0.609899 0.042513 0.750000 O\n0.698404 0.298954 0.058304 O\n0.698404 0.298954 0.441696 O\n0.801596 0.798954 0.058304 O\n0.801596 0.798954 0.441696 O\n0.890101 0.542513 0.750000 O\n",
"nsites": 20,
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"density": 6.212264483894981,
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"volume": 202.9318362183001,
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"formula_full": "Al4 In4 O12",
"formula_reduced": "AlInO3",
"formula_anonymous": "ABC3",
"energy": -138.34003899,
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{
"id": "mp-763238",
"created_at": "2022-09-04T14:40:36.583697Z",
"structure_string": "Li2 Cr2 P4 H3 O16\n1.0\n4.902467 0.000000 0.000000\n-1.742561 -7.264968 0.000000\n-0.124306 0.023029 -8.072686\nLi Cr P H O\n2 2 4 3 16\ndirect\n0.393440 0.848085 0.128193 Li\n0.589961 0.152436 0.875046 Li\n0.999321 0.498741 0.001432 Cr\n0.498755 0.001346 0.499987 Cr\n0.110664 0.253227 0.662150 P\n0.372560 0.236794 0.157141 P\n0.624067 0.755359 0.840298 P\n0.885014 0.748947 0.338794 P\n0.455900 0.482049 0.601251 H\n0.550633 0.509758 0.382068 H\n0.956605 0.979321 0.986513 H\n0.987844 0.700875 0.168272 O\n0.129558 0.842914 0.448722 O\n0.179443 0.373238 0.170237 O\n0.253721 0.441033 0.576051 O\n0.367009 0.660929 0.943727 O\n0.546930 0.815124 0.670027 O\n0.254018 0.062602 0.053126 O\n0.332492 0.135846 0.681244 O\n0.664418 0.867031 0.318159 O\n0.749256 0.937513 0.946449 O\n0.450660 0.189401 0.333562 O\n0.636343 0.342506 0.060030 O\n0.739372 0.562558 0.428114 O\n0.828335 0.629442 0.829508 O\n0.867125 0.158716 0.551260 O\n0.003082 0.297273 0.832796 O\n",
"nsites": 27,
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],
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"formula_full": "Li2 Cr2 P4 H3 O16",
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{
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{
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{
"id": "mp-1212187",
"created_at": "2022-09-04T14:40:36.617440Z",
"structure_string": "Hf6 Ti4 Ga6\n1.0\n3.944531 -6.832128 0.000000\n3.944531 6.832128 0.000000\n0.000000 0.000000 5.461432\nHf Ti Ga\n6 4 6\ndirect\n0.242274 0.000000 0.250000 Hf\n0.757726 0.000000 0.750000 Hf\n0.000000 0.242274 0.250000 Hf\n0.000000 0.757726 0.750000 Hf\n0.757726 0.757726 0.250000 Hf\n0.242274 0.242274 0.750000 Hf\n0.333333 0.666667 0.000000 Ti\n0.666667 0.333333 0.000000 Ti\n0.666667 0.333333 0.500000 Ti\n0.333333 0.666667 0.500000 Ti\n0.600696 0.000000 0.250000 Ga\n0.399304 0.000000 0.750000 Ga\n0.000000 0.600696 0.250000 Ga\n0.000000 0.399304 0.750000 Ga\n0.399304 0.399304 0.250000 Ga\n0.600696 0.600696 0.750000 Ga\n",
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}