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{
"id": "mp-557626",
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"structure_string": "Gd8 Ti4 O20\n1.0\n3.770939 0.000000 0.000000\n0.000000 10.563077 0.000000\n0.000000 0.000000 11.417061\nGd Ti O\n8 4 20\ndirect\n0.750000 0.363214 0.443918 Gd\n0.250000 0.636786 0.556082 Gd\n0.750000 0.888075 0.722675 Gd\n0.750000 0.388075 0.777325 Gd\n0.250000 0.111925 0.277325 Gd\n0.250000 0.611925 0.222675 Gd\n0.750000 0.863214 0.056082 Gd\n0.250000 0.136786 0.943918 Gd\n0.250000 0.176912 0.620714 Ti\n0.750000 0.323088 0.120714 Ti\n0.750000 0.823088 0.379286 Ti\n0.250000 0.676912 0.879286 Ti\n0.750000 0.239381 0.270005 O\n0.250000 0.260619 0.770005 O\n0.250000 0.224119 0.459071 O\n0.750000 0.006483 0.895687 O\n0.750000 0.987906 0.344398 O\n0.250000 0.493517 0.395687 O\n0.750000 0.506483 0.604313 O\n0.750000 0.775881 0.540929 O\n0.250000 0.765165 0.382132 O\n0.750000 0.734835 0.882132 O\n0.750000 0.275881 0.959071 O\n0.750000 0.487906 0.155602 O\n0.250000 0.265165 0.117868 O\n0.250000 0.012094 0.655602 O\n0.750000 0.234835 0.617868 O\n0.250000 0.993517 0.104313 O\n0.750000 0.739381 0.229995 O\n0.250000 0.724119 0.040929 O\n0.250000 0.512094 0.844398 O\n0.250000 0.760619 0.729995 O\n",
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},
{
"id": "mp-1192659",
"created_at": "2022-09-04T14:44:15.324184Z",
"structure_string": "Li2 Ga2 H16 N8\n1.0\n-6.422291 0.000000 1.523524\n0.082703 0.000000 -6.190618\n0.000000 -7.984826 0.000000\nLi Ga H N\n2 2 16 8\ndirect\n0.403118 0.646966 0.043067 Li\n0.596882 0.353034 0.543067 Li\n0.364753 0.153221 0.826282 Ga\n0.635247 0.846779 0.326282 Ga\n0.132691 0.776813 0.860725 H\n0.867309 0.223187 0.360725 H\n0.321848 0.766054 0.734967 H\n0.678152 0.233946 0.234967 H\n0.731358 0.379519 0.866709 H\n0.268642 0.620481 0.366709 H\n0.738742 0.127005 0.807640 H\n0.261258 0.872995 0.307640 H\n0.112054 0.294152 0.995996 H\n0.887946 0.705848 0.495996 H\n0.273956 0.217761 0.121820 H\n0.726044 0.782239 0.621820 H\n0.189478 0.381537 0.644499 H\n0.810522 0.618463 0.144499 H\n0.159322 0.140225 0.557961 H\n0.840678 0.859775 0.057961 H\n0.291391 0.831280 0.847362 N\n0.708609 0.168720 0.347362 N\n0.662609 0.250987 0.789868 N\n0.337391 0.749013 0.289868 N\n0.267484 0.301264 0.011664 N\n0.732516 0.698736 0.511664 N\n0.268329 0.261885 0.617739 N\n0.731671 0.738115 0.117739 N\n",
"nsites": 28,
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"elements": [
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"formula_full": "Li2 Ga2 H16 N8",
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"spacegroup": 4
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{
"id": "mp-1096865",
"created_at": "2022-09-04T14:46:57.659394Z",
"structure_string": "Al4 Fe8 B4 O20\n1.0\n2.964518 0.000000 0.000000\n0.000000 9.668724 0.000000\n0.000000 0.000000 12.278480\nAl Fe B O\n4 8 4 20\ndirect\n0.000000 0.742322 0.384092 Al\n0.000000 0.257678 0.615908 Al\n0.000000 0.242322 0.115908 Al\n0.000000 0.757678 0.884092 Al\n0.500000 0.495689 0.225699 Fe\n0.500000 0.504311 0.774301 Fe\n0.500000 0.995689 0.274301 Fe\n0.500000 0.004311 0.725699 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.762775 0.136571 B\n0.000000 0.237225 0.863429 B\n0.000000 0.262775 0.363429 B\n0.000000 0.737225 0.636571 B\n0.000000 0.836465 0.038705 O\n0.000000 0.163535 0.961295 O\n0.000000 0.336465 0.461295 O\n0.000000 0.663535 0.538705 O\n0.500000 0.618767 0.358315 O\n0.500000 0.381233 0.641685 O\n0.500000 0.118767 0.141685 O\n0.500000 0.881233 0.858315 O\n0.000000 0.620055 0.137190 O\n0.000000 0.379945 0.862810 O\n0.000000 0.120055 0.362810 O\n0.000000 0.879945 0.637190 O\n0.500000 0.868980 0.415448 O\n0.500000 0.131020 0.584552 O\n0.500000 0.368980 0.084552 O\n0.500000 0.631020 0.915448 O\n0.000000 0.831204 0.236424 O\n0.000000 0.168796 0.763576 O\n0.000000 0.331204 0.263576 O\n0.000000 0.668796 0.736424 O\n",
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"elements": [
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],
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"formula_full": "Al4 Fe8 B4 O20",
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"spacegroup": 55
},
{
"id": "mp-555990",
"created_at": "2022-09-04T14:42:07.181202Z",
"structure_string": "Er8 Si4 S4 O16\n1.0\n5.365714 -6.194385 0.000000\n5.365714 6.194385 0.000000\n0.000000 0.000000 6.855326\nEr Si S O\n8 4 4 16\ndirect\n0.671361 0.328639 0.023065 Er\n0.810471 0.689529 0.750000 Er\n0.171361 0.828639 0.476935 Er\n0.189529 0.310471 0.250000 Er\n0.689529 0.810471 0.250000 Er\n0.828639 0.171361 0.523065 Er\n0.328639 0.671361 0.976935 Er\n0.310471 0.189529 0.750000 Er\n0.563864 0.936136 0.750000 Si\n0.436136 0.063864 0.250000 Si\n0.063864 0.436136 0.750000 Si\n0.936136 0.563864 0.250000 Si\n0.490896 0.509104 0.252883 S\n0.009104 0.990896 0.752883 S\n0.990896 0.009104 0.247117 S\n0.509104 0.490896 0.747117 S\n0.390414 0.862838 0.235612 O\n0.862838 0.390414 0.764388 O\n0.830598 0.618733 0.063951 O\n0.881267 0.669402 0.436049 O\n0.137162 0.609586 0.235612 O\n0.890414 0.362838 0.264388 O\n0.330598 0.118733 0.436049 O\n0.637162 0.109586 0.264388 O\n0.609586 0.137162 0.764388 O\n0.381267 0.169402 0.063951 O\n0.109586 0.637162 0.735612 O\n0.169402 0.381267 0.936049 O\n0.118733 0.330598 0.563951 O\n0.362838 0.890414 0.735612 O\n0.618733 0.830598 0.936049 O\n0.669402 0.881267 0.563951 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 6.6853155123015,
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"volume": 455.70503062935376,
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"formula_full": "Er8 Si4 S4 O16",
"formula_reduced": "Er2SiSO4",
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{
"id": "mp-1208961",
"created_at": "2022-09-04T14:41:09.809966Z",
"structure_string": "Sm4 In8 Cl20\n1.0\n8.204892 0.000000 0.000000\n0.000000 8.729919 0.000000\n0.000000 0.000000 13.066152\nSm In Cl\n4 8 20\ndirect\n0.926054 0.750000 0.503928 Sm\n0.073946 0.250000 0.496072 Sm\n0.426054 0.250000 0.996072 Sm\n0.573946 0.750000 0.003928 Sm\n0.950602 0.005617 0.827483 In\n0.049398 0.994383 0.172517 In\n0.450602 0.994383 0.672517 In\n0.049398 0.505617 0.172517 In\n0.549398 0.005617 0.327483 In\n0.950602 0.494383 0.827483 In\n0.549398 0.494383 0.327483 In\n0.450602 0.505617 0.672517 In\n0.116051 0.750000 0.677059 Cl\n0.883949 0.250000 0.322941 Cl\n0.616051 0.250000 0.822941 Cl\n0.383949 0.750000 0.177059 Cl\n0.839218 0.042851 0.574195 Cl\n0.160782 0.957149 0.425805 Cl\n0.339218 0.957149 0.925805 Cl\n0.160782 0.542851 0.425805 Cl\n0.660782 0.042851 0.074195 Cl\n0.839218 0.457149 0.574195 Cl\n0.660782 0.457149 0.074195 Cl\n0.339218 0.542851 0.925805 Cl\n0.587304 0.750000 0.508493 Cl\n0.412696 0.250000 0.491507 Cl\n0.087304 0.250000 0.991507 Cl\n0.912696 0.750000 0.008493 Cl\n0.659021 0.750000 0.800420 Cl\n0.340979 0.250000 0.199580 Cl\n0.159021 0.250000 0.699580 Cl\n0.840979 0.750000 0.300420 Cl\n",
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{
"id": "mp-774334",
"created_at": "2022-09-04T14:40:27.893926Z",
"structure_string": "Na5 Li3 V8 O24\n1.0\n4.664171 5.262973 0.000000\n-4.664171 5.262973 0.000000\n0.000000 3.908773 11.164488\nNa Li V O\n5 3 8 24\ndirect\n0.287279 0.712721 0.500000 Na\n0.711734 0.289299 0.251253 Na\n0.289908 0.710092 0.000000 Na\n0.916772 0.083228 0.000000 Na\n0.710701 0.288266 0.748747 Na\n0.912555 0.087445 0.500000 Li\n0.088368 0.911361 0.251675 Li\n0.088639 0.911632 0.748325 Li\n0.803323 0.619186 0.498966 V\n0.616155 0.801887 0.251935 V\n0.802808 0.622010 0.998306 V\n0.619313 0.803267 0.748646 V\n0.380814 0.196677 0.501034 V\n0.196733 0.380687 0.251354 V\n0.377990 0.197192 0.001694 V\n0.198113 0.383845 0.748065 V\n0.976421 0.786482 0.449288 O\n0.782398 0.974636 0.208784 O\n0.982440 0.781224 0.943663 O\n0.904062 0.389387 0.525771 O\n0.645770 0.641209 0.393842 O\n0.786253 0.976489 0.699323 O\n0.386337 0.902713 0.278318 O\n0.644705 0.653991 0.141043 O\n0.905070 0.395289 0.031143 O\n0.647677 0.642910 0.891707 O\n0.358791 0.354230 0.606158 O\n0.389390 0.904129 0.775706 O\n0.610613 0.095938 0.474229 O\n0.644699 0.647965 0.642051 O\n0.352035 0.355301 0.357949 O\n0.095871 0.610610 0.224294 O\n0.357090 0.352323 0.108293 O\n0.604711 0.094930 0.968857 O\n0.213518 0.023579 0.550712 O\n0.346009 0.355295 0.858957 O\n0.097287 0.613663 0.721682 O\n0.023511 0.213747 0.300677 O\n0.218776 0.017560 0.056337 O\n0.025364 0.217602 0.791216 O\n",
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},
{
"id": "mp-1195146",
"created_at": "2022-09-04T14:42:09.502960Z",
"structure_string": "Na4 Ni1 Mo6 H38 O40\n1.0\n-7.529767 -0.037884 -2.622792\n-0.136299 9.896148 3.715091\n7.725057 0.127119 -9.842398\nNa Ni Mo H O\n4 1 6 38 40\ndirect\n0.804291 0.860464 0.581099 Na\n0.195709 0.139536 0.418901 Na\n0.204930 0.860273 0.800172 Na\n0.795070 0.139727 0.199828 Na\n0.000000 0.500000 0.000000 Ni\n0.872877 0.263410 0.728976 Mo\n0.127123 0.736590 0.271024 Mo\n0.250925 0.270351 0.953021 Mo\n0.749075 0.729649 0.046979 Mo\n0.366217 0.497535 0.231111 Mo\n0.633783 0.502465 0.768889 Mo\n0.007534 0.541258 0.795295 H\n0.992466 0.458742 0.204705 H\n0.888881 0.235853 0.955011 H\n0.111119 0.764147 0.044989 H\n0.354802 0.558611 0.026746 H\n0.645198 0.441389 0.973254 H\n0.574800 0.801738 0.331043 H\n0.425200 0.198262 0.668957 H\n0.758464 0.787238 0.315113 H\n0.241536 0.212762 0.684887 H\n0.396766 0.730009 0.500386 H\n0.603234 0.269991 0.499614 H\n0.476396 0.782387 0.637828 H\n0.523604 0.217613 0.362172 H\n0.933884 0.939428 0.849771 H\n0.066116 0.060572 0.150229 H\n0.843926 0.787404 0.817670 H\n0.156074 0.212596 0.182330 H\n0.134033 0.838629 0.544572 H\n0.865967 0.161371 0.455428 H\n0.197548 0.993397 0.620821 H\n0.802452 0.006603 0.379179 H\n0.795067 0.590389 0.442862 H\n0.204933 0.409611 0.557138 H\n0.755400 0.585571 0.557205 H\n0.244600 0.414429 0.442795 H\n0.372915 0.794575 0.017087 H\n0.627085 0.205425 0.982913 H\n0.349546 0.944779 0.049170 H\n0.650454 0.055221 0.950830 H\n0.591974 0.820133 0.839609 H\n0.408026 0.179867 0.160391 H\n0.586431 0.934631 0.781705 H\n0.413569 0.065369 0.218295 H\n0.221771 0.567411 0.727142 H\n0.778229 0.432589 0.272858 H\n0.042661 0.601820 0.644621 H\n0.957339 0.398180 0.355379 H\n0.931455 0.487915 0.824400 O\n0.068545 0.512085 0.175600 O\n0.964598 0.292975 0.929395 O\n0.035402 0.707025 0.070605 O\n0.272209 0.492265 0.039797 O\n0.727791 0.507735 0.960203 O\n0.141869 0.287731 0.796961 O\n0.858131 0.712269 0.203039 O\n0.282761 0.304507 0.125972 O\n0.717239 0.695493 0.874028 O\n0.357889 0.690482 0.266227 O\n0.642111 0.309518 0.733773 O\n0.866865 0.283990 0.593229 O\n0.133135 0.716010 0.406771 O\n0.804109 0.089938 0.695763 O\n0.195891 0.910062 0.304237 O\n0.200213 0.095161 0.919071 O\n0.799787 0.904839 0.080929 O\n0.480672 0.309368 0.967896 O\n0.519328 0.690632 0.032104 O\n0.600101 0.519373 0.259345 O\n0.399899 0.480627 0.740655 O\n0.347022 0.467266 0.357090 O\n0.652978 0.532734 0.642910 O\n0.706670 0.843337 0.368292 O\n0.293330 0.156663 0.631708 O\n0.508396 0.779829 0.568438 O\n0.491604 0.220171 0.431562 O\n0.895334 0.852430 0.786285 O\n0.104666 0.147570 0.213715 O\n0.128892 0.905879 0.615281 O\n0.871108 0.094121 0.384719 O\n0.845741 0.626187 0.530318 O\n0.154259 0.373813 0.469682 O\n0.281887 0.851557 0.001672 O\n0.718113 0.148443 0.998328 O\n0.522424 0.888908 0.819813 O\n0.477576 0.111092 0.180187 O\n0.127213 0.620842 0.728114 O\n0.872787 0.379158 0.271886 O\n",
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