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{
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{
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"structure_string": "Sr3 Cr1\n1.0\n-2.780376 2.780376 5.475924\n2.780376 -2.780376 5.475924\n2.780376 2.780376 -5.475924\nSr Cr\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Cr\n",
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{
"id": "mp-1520042",
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"structure_string": "Sr1 Eu1 In1 Sb1 O6\n1.0\n-0.000000 -4.162130 -4.162130\n4.162130 0.000000 -4.162130\n4.162130 -4.162130 -0.000000\nSr Eu In Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 In\n0.500000 0.500000 0.500000 Sb\n0.741238 0.258762 0.258762 O\n0.258762 0.741238 0.741238 O\n0.741238 0.258762 0.741238 O\n0.258762 0.741238 0.258762 O\n0.741238 0.741238 0.258762 O\n0.258762 0.258762 0.741238 O\n",
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"formula_full": "Sr1 Eu1 In1 Sb1 O6",
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},
{
"id": "mp-768197",
"created_at": "2022-09-04T14:42:29.652515Z",
"structure_string": "Li5 Sb1 S4\n1.0\n-1.957610 3.571710 6.738648\n1.957610 -3.571710 6.738648\n1.957610 3.571710 -6.738648\nLi Sb S\n5 1 4\ndirect\n0.393561 0.176425 0.217136 Li\n0.959289 0.176425 0.782864 Li\n0.040711 0.823575 0.217136 Li\n0.606439 0.823575 0.782864 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Sb\n0.729554 0.000000 0.729554 S\n0.210396 0.710396 0.500000 S\n0.789604 0.289604 0.500000 S\n0.270446 0.000000 0.270446 S\n",
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"density": 2.508647100740759,
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"volume": 188.46691732690357,
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"formula_full": "Li5 Sb1 S4",
"formula_reduced": "Li5SbS4",
"formula_anonymous": "AB4C5",
"energy": -42.39896336,
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},
{
"id": "mp-1202119",
"created_at": "2022-09-04T14:42:40.242913Z",
"structure_string": "Yb2 Cr2 Mo12 H68 O76\n1.0\n11.335895 -0.094751 0.945875\n-0.297470 11.210260 2.873711\n-0.176220 -0.287613 14.310193\nYb Cr Mo H O\n2 2 12 68 76\ndirect\n0.714140 0.251896 0.952031 Yb\n0.285860 0.748104 0.047969 Yb\n-0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.221596 0.866025 0.630116 Mo\n0.778404 0.133975 0.369884 Mo\n0.743774 0.056641 0.614611 Mo\n0.256226 0.943359 0.385389 Mo\n0.963270 0.923963 0.745562 Mo\n0.036730 0.076037 0.254438 Mo\n0.490518 0.426821 0.747734 Mo\n0.509482 0.573179 0.252266 Mo\n0.251785 0.366199 0.633784 Mo\n0.748215 0.633801 0.366216 Mo\n0.732914 0.569992 0.613419 Mo\n0.267086 0.430008 0.386581 Mo\n0.848664 0.833499 0.598894 H\n0.151336 0.166501 0.401106 H\n0.630697 0.335719 0.594995 H\n0.369303 0.664281 0.405005 H\n0.359305 0.603995 0.609114 H\n0.640695 0.396005 0.390886 H\n0.566549 0.720334 0.493889 H\n0.433451 0.279666 0.506111 H\n0.494640 0.050487 0.737726 H\n0.505360 0.949513 0.262274 H\n0.416898 0.031808 0.834997 H\n0.583102 0.968192 0.165003 H\n0.663706 0.400472 0.108355 H\n0.336294 0.599528 0.891645 H\n0.783552 0.345601 0.127299 H\n0.216448 0.654399 0.872701 H\n0.907516 0.293372 0.785571 H\n0.092484 0.706628 0.214429 H\n0.840903 0.180379 0.772560 H\n0.159097 0.819621 0.227440 H\n0.930101 0.217677 0.501074 H\n0.069899 0.782323 0.498926 H\n0.712508 0.086094 0.159802 H\n0.287492 0.913906 0.840198 H\n0.773080 0.017274 0.090316 H\n0.226920 0.982726 0.909684 H\n0.252379 0.203425 0.055175 H\n0.747621 0.796575 0.944825 H\n0.276356 0.073857 0.052309 H\n0.723644 0.926143 0.947691 H\n0.606121 0.035138 0.966145 H\n0.393879 0.964862 0.033855 H\n0.595533 0.075974 0.855522 H\n0.404467 0.924026 0.144478 H\n0.940021 0.234442 0.059208 H\n0.059979 0.765558 0.940792 H\n0.976450 0.212636 0.956146 H\n0.023550 0.787364 0.043854 H\n0.158512 0.175317 0.928608 H\n0.841488 0.824683 0.071392 H\n0.076101 0.116676 0.865487 H\n0.923899 0.883324 0.134513 H\n0.795192 0.509917 0.924652 H\n0.204808 0.490083 0.075348 H\n0.789217 0.480193 0.822066 H\n0.210783 0.519807 0.177934 H\n0.536509 0.130619 0.483074 H\n0.463491 0.869381 0.516926 H\n0.400981 0.093760 0.506670 H\n0.599019 0.906240 0.493330 H\n0.539813 0.273553 0.200724 H\n0.460187 0.726447 0.799276 H\n0.432159 0.184220 0.237316 H\n0.567841 0.815780 0.762684 H\n0.038198 0.373825 0.506071 H\n0.961802 0.626175 0.493929 H\n0.903136 0.405486 0.497328 H\n0.096864 0.594514 0.502672 H\n0.487822 0.244188 0.076017 H\n0.512178 0.755812 0.923983 H\n0.447306 0.238896 0.973509 H\n0.552694 0.761104 0.026491 H\n0.121755 0.110118 0.605843 H\n0.878245 0.889882 0.394157 H\n0.016794 0.588618 0.841658 H\n0.983206 0.411382 0.158342 H\n0.116732 0.513101 0.809651 H\n0.883268 0.486899 0.190349 H\n0.585851 0.328848 0.812861 O\n0.414149 0.671152 0.187139 O\n0.782031 0.717455 0.598889 O\n0.217969 0.282545 0.401111 O\n0.860265 0.059565 0.707849 O\n0.139735 0.940435 0.292151 O\n0.157969 0.424952 0.710412 O\n0.842031 0.575048 0.289588 O\n0.190591 0.228107 0.629098 O\n0.809409 0.771893 0.370902 O\n0.047397 0.984512 0.820700 O\n0.952603 0.015488 0.179300 O\n0.637884 0.956274 0.682613 O\n0.362116 0.043726 0.317387 O\n0.689409 0.198018 0.608704 O\n0.310591 0.801982 0.391296 O\n0.883197 0.914287 0.602160 O\n0.116803 0.085713 0.397840 O\n0.598195 0.414806 0.598197 O\n0.401805 0.585194 0.401803 O\n0.391912 0.524634 0.608773 O\n0.608088 0.475366 0.391227 O\n0.402497 0.479294 0.832175 O\n0.597503 0.520706 0.167825 O\n0.299988 0.967467 0.511904 O\n0.700012 0.032533 0.488096 O\n0.597889 0.636919 0.492534 O\n0.402111 0.363081 0.507466 O\n0.084657 0.030935 0.603915 O\n0.915343 0.969065 0.396085 O\n0.298630 0.919315 0.713036 O\n0.701370 0.080685 0.286964 O\n0.483774 0.079253 0.796572 O\n0.516226 0.920747 0.203428 O\n0.706582 0.328213 0.104108 O\n0.293418 0.671787 0.895892 O\n0.840953 0.239361 0.812302 O\n0.159047 0.760639 0.187698 O\n0.381441 0.316466 0.711384 O\n0.618559 0.683534 0.288616 O\n0.898603 0.133329 0.499400 O\n0.101397 0.866671 0.500600 O\n0.595191 0.566852 0.698733 O\n0.404809 0.433148 0.301267 O\n0.283993 0.730897 0.624031 O\n0.716007 0.269103 0.375969 O\n0.703893 0.064344 0.097515 O\n0.296107 0.935656 0.902485 O\n0.827004 0.486851 0.691484 O\n0.172996 0.513149 0.308516 O\n0.869563 0.818114 0.821459 O\n0.130437 0.181886 0.178541 O\n0.272297 0.154154 0.009592 O\n0.727703 0.845846 0.990408 O\n0.196846 0.459593 0.508946 O\n0.803154 0.540407 0.491054 O\n0.654575 0.069715 0.907222 O\n0.345425 0.930285 0.092778 O\n0.075468 0.815136 0.705376 O\n0.924532 0.184864 0.294624 O\n0.907506 0.229732 0.999353 O\n0.092494 0.770268 0.000647 O\n0.089166 0.188425 0.889592 O\n0.910834 0.811575 0.110408 O\n0.764583 0.453585 0.891099 O\n0.235417 0.546415 0.108901 O\n0.462928 0.151066 0.514012 O\n0.537072 0.848934 0.485988 O\n0.460537 0.253170 0.186543 O\n0.539463 0.746830 0.813457 O\n0.957859 0.339723 0.513458 O\n0.042141 0.660277 0.486542 O\n0.517143 0.245398 0.007840 O\n0.482857 0.754602 0.992160 O\n0.094594 0.559994 0.857193 O\n0.905405 0.440006 0.142807 O\n",
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"formula_full": "Yb2 Cr2 Mo12 H68 O76",
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{
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"structure_string": "Li8 Cu4 P16 O48\n1.0\n9.431263 0.000000 0.000000\n0.000000 9.434133 0.000000\n0.000000 0.000000 10.133788\nLi Cu P O\n8 4 16 48\ndirect\n0.095791 0.008906 0.179367 Li\n0.904209 0.991094 0.820633 Li\n0.595791 0.991094 0.820633 Li\n0.404209 0.508906 0.320633 Li\n0.095791 0.508906 0.320633 Li\n0.404209 0.008906 0.179367 Li\n0.595791 0.491094 0.679367 Li\n0.904209 0.491094 0.679367 Li\n0.750000 0.002378 0.206487 Cu\n0.250000 0.497622 0.706487 Cu\n0.750000 0.502378 0.293513 Cu\n0.250000 0.997622 0.793513 Cu\n0.750000 0.776576 0.465970 P\n0.250000 0.723424 0.965970 P\n0.034351 0.787053 0.604622 P\n0.465649 0.787053 0.604622 P\n0.750000 0.198220 0.610750 P\n0.534351 0.212947 0.395378 P\n0.965649 0.212947 0.395378 P\n0.250000 0.223424 0.534030 P\n0.750000 0.276576 0.034030 P\n0.034351 0.287053 0.895378 P\n0.465649 0.287053 0.895378 P\n0.250000 0.301780 0.110750 P\n0.750000 0.698220 0.889250 P\n0.534351 0.712947 0.104622 P\n0.965649 0.712947 0.104622 P\n0.250000 0.801780 0.389250 P\n0.117194 0.350088 0.021024 O\n0.062390 0.881992 0.721770 O\n0.250000 0.883527 0.950471 O\n0.250000 0.898122 0.272017 O\n0.750000 0.101878 0.727983 O\n0.750000 0.116473 0.049529 O\n0.562390 0.118008 0.278230 O\n0.937610 0.118008 0.278230 O\n0.054409 0.129507 0.883717 O\n0.445591 0.129507 0.883717 O\n0.250000 0.135517 0.655886 O\n0.617194 0.149912 0.521024 O\n0.882806 0.149912 0.521024 O\n0.250000 0.144586 0.129222 O\n0.125046 0.176087 0.437665 O\n0.374954 0.176087 0.437665 O\n0.625046 0.323913 0.937665 O\n0.874954 0.323913 0.937665 O\n0.750000 0.355414 0.629222 O\n0.437610 0.881992 0.721770 O\n0.382806 0.350088 0.021024 O\n0.750000 0.364483 0.155886 O\n0.554409 0.370493 0.383717 O\n0.945591 0.370493 0.383717 O\n0.062390 0.381992 0.778230 O\n0.437610 0.381992 0.778230 O\n0.250000 0.383527 0.549529 O\n0.250000 0.398122 0.227983 O\n0.750000 0.601878 0.772017 O\n0.750000 0.616473 0.450471 O\n0.562390 0.618008 0.221770 O\n0.937610 0.618008 0.221770 O\n0.054409 0.629507 0.616283 O\n0.445591 0.629507 0.616283 O\n0.250000 0.635517 0.844114 O\n0.617194 0.649912 0.978976 O\n0.882806 0.649912 0.978976 O\n0.250000 0.644586 0.370778 O\n0.125046 0.676087 0.062335 O\n0.374954 0.676087 0.062335 O\n0.625046 0.823913 0.562335 O\n0.874954 0.823913 0.562335 O\n0.750000 0.855414 0.870778 O\n0.117194 0.850088 0.478976 O\n0.945591 0.870493 0.116283 O\n0.750000 0.864483 0.344114 O\n0.554409 0.870493 0.116283 O\n0.382806 0.850088 0.478976 O\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.462086 10.613524 0.000000\n-1.462086 10.613524 0.000000\n0.000000 4.170080 9.340333\nLi Mn Co O\n9 2 5 16\ndirect\n0.633887 0.633887 0.802775 Li\n0.863671 0.863671 0.454620 Li\n0.132614 0.132614 0.054349 Li\n0.131549 0.131549 0.552849 Li\n0.369668 0.369668 0.193076 Li\n0.628718 0.628718 0.309555 Li\n0.868602 0.868602 0.940063 Li\n0.370377 0.370377 0.693817 Li\n0.251036 0.251036 0.624710 Li\n0.000745 0.000745 0.999307 Mn\n0.999424 0.999424 0.500008 Mn\n0.498932 0.498932 0.250895 Co\n0.753002 0.753002 0.857380 Co\n0.248475 0.248475 0.125974 Co\n0.501287 0.501287 0.749185 Co\n0.748471 0.748471 0.388552 Co\n0.556519 0.556519 0.022445 O\n0.810659 0.810659 0.670879 O\n0.053306 0.053306 0.294900 O\n0.054978 0.054978 0.792453 O\n0.308882 0.308882 0.402484 O\n0.555838 0.555838 0.521793 O\n0.803479 0.803479 0.168257 O\n0.307461 0.307461 0.915940 O\n0.690503 0.690503 0.573420 O\n0.946382 0.946382 0.204252 O\n0.191969 0.191969 0.846501 O\n0.192834 0.192834 0.337767 O\n0.443918 0.443918 0.976826 O\n0.692668 0.692668 0.089820 O\n0.947125 0.947125 0.706742 O\n0.443020 0.443020 0.478406 O\n",
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