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{
"id": "mp-758535",
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"structure_string": "Li4 Fe4 P8 O28\n1.0\n8.050714 0.000000 0.000000\n0.000000 5.099280 0.000000\n0.000000 4.769017 13.396324\nLi Fe P O\n4 4 8 28\ndirect\n0.779437 0.043694 0.746591 Li\n0.279437 0.956306 0.753409 Li\n0.720563 0.043694 0.246591 Li\n0.220563 0.956306 0.253409 Li\n0.847866 0.689360 0.116812 Fe\n0.347866 0.310640 0.383188 Fe\n0.652134 0.689360 0.616812 Fe\n0.152134 0.310640 0.883188 Fe\n0.706856 0.322490 0.476002 P\n0.466453 0.565544 0.178902 P\n0.966453 0.434456 0.321098 P\n0.206856 0.677510 0.023998 P\n0.793144 0.322490 0.976002 P\n0.033547 0.565544 0.678902 P\n0.533547 0.434456 0.821098 P\n0.293144 0.677510 0.523998 P\n0.542784 0.201772 0.777570 O\n0.863625 0.689327 0.258761 O\n0.327950 0.401119 0.507577 O\n0.090922 0.729032 0.101499 O\n0.142107 0.531062 0.336834 O\n0.891616 0.329879 0.434020 O\n0.210104 0.921050 0.924130 O\n0.391616 0.670121 0.065980 O\n0.710104 0.078950 0.575870 O\n0.642107 0.468938 0.163166 O\n0.590922 0.270968 0.398501 O\n0.363625 0.310673 0.241239 O\n0.827950 0.598881 0.992423 O\n0.042784 0.798228 0.722430 O\n0.957216 0.201772 0.277570 O\n0.172050 0.401119 0.007577 O\n0.636375 0.689327 0.758761 O\n0.409078 0.729032 0.601499 O\n0.357893 0.531062 0.836834 O\n0.289896 0.921050 0.424130 O\n0.608384 0.329879 0.934020 O\n0.789896 0.078950 0.075870 O\n0.108384 0.670121 0.565980 O\n0.857893 0.468938 0.663166 O\n0.909078 0.270968 0.898501 O\n0.672050 0.598881 0.492423 O\n0.136375 0.310673 0.741239 O\n0.457216 0.798228 0.222430 O\n",
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},
{
"id": "mp-756091",
"created_at": "2022-09-04T14:40:53.917434Z",
"structure_string": "Na4 Mn4 B4 O12\n1.0\n2.585043 4.535000 -0.006655\n-7.758950 4.537198 -0.015371\n-0.956534 -0.011233 5.799143\nNa Mn B O\n4 4 4 12\ndirect\n0.498933 0.835538 0.749029 Na\n0.998939 0.335533 0.749036 Na\n0.006023 0.670382 0.249706 Na\n0.506021 0.170385 0.249711 Na\n0.500733 0.503089 0.498101 Mn\n0.999594 0.002591 0.998354 Mn\n0.000688 0.003167 0.498214 Mn\n0.499721 0.502587 0.998258 Mn\n0.998960 0.668804 0.748269 B\n0.498943 0.168798 0.748264 B\n0.500249 0.836874 0.247778 B\n0.000256 0.336869 0.247773 B\n0.771199 0.590409 0.750887 O\n0.271190 0.090408 0.750888 O\n0.728087 0.915135 0.247408 O\n0.228075 0.415138 0.247393 O\n0.223048 0.598897 0.700840 O\n0.723033 0.098896 0.700841 O\n0.001058 0.816515 0.792540 O\n0.501062 0.316509 0.792541 O\n0.498198 0.689504 0.201754 O\n0.998203 0.189499 0.201770 O\n0.275340 0.906341 0.294247 O\n0.775347 0.406341 0.294237 O\n",
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"elements": [
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"B",
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],
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"volume": 272.1075649147059,
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"formula_full": "Na4 Mn4 B4 O12",
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"spacegroup": 15
},
{
"id": "mp-10024",
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"structure_string": "Ce1\n1.0\n-1.887976 1.887976 1.887976\n1.887976 -1.887976 1.887976\n1.887976 1.887976 -1.887976\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
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},
{
"id": "mp-1239269",
"created_at": "2022-09-04T14:40:54.062945Z",
"structure_string": "Nb2 Cr6 Ag4 S16\n1.0\n13.302365 0.000000 0.000000\n0.000000 6.012935 0.000000\n0.000000 0.032731 6.905404\nNb Cr Ag S\n2 6 4 16\ndirect\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.496047 0.001944 0.750764 Cr\n0.003953 0.001944 0.750764 Cr\n0.503953 0.998056 0.249236 Cr\n0.996047 0.998056 0.249236 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.250000 0.657400 0.743962 Ag\n0.750000 0.342600 0.256038 Ag\n0.750000 0.975846 0.741430 Ag\n0.250000 0.024154 0.258570 Ag\n0.607100 0.159695 0.998536 S\n0.899562 0.169004 0.498540 S\n0.399562 0.830996 0.501460 S\n0.107100 0.840305 0.001464 S\n0.392900 0.840305 0.001464 S\n0.100438 0.830996 0.501460 S\n0.600438 0.169004 0.498540 S\n0.892900 0.159695 0.998536 S\n0.393915 0.332782 0.742908 S\n0.106085 0.332782 0.742908 S\n0.606085 0.667218 0.257092 S\n0.893915 0.667218 0.257092 S\n0.602756 0.674271 0.743230 S\n0.897244 0.674271 0.743230 S\n0.397244 0.325729 0.256770 S\n0.102756 0.325729 0.256770 S\n",
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"formula_full": "Nb2 Cr6 Ag4 S16",
"formula_reduced": "NbCr3(AgS4)2",
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"energy": -179.55862332,
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{
"id": "mp-1198918",
"created_at": "2022-09-04T14:40:54.100215Z",
"structure_string": "Rb4 Cu6 P8 O28\n1.0\n10.779671 0.000000 0.000000\n0.000000 7.828833 0.000000\n0.000000 1.917229 7.672837\nRb Cu P O\n4 6 8 28\ndirect\n0.810520 0.261290 0.545939 Rb\n0.310520 0.738710 0.954061 Rb\n0.189480 0.738710 0.454061 Rb\n0.689480 0.261290 0.045939 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.897876 0.729007 0.769189 Cu\n0.397876 0.270993 0.730811 Cu\n0.102124 0.270993 0.230811 Cu\n0.602124 0.729007 0.269189 Cu\n0.051801 0.382143 0.835760 P\n0.551801 0.617857 0.664240 P\n0.948199 0.617857 0.164240 P\n0.448199 0.382143 0.335760 P\n0.160208 0.120659 0.656395 P\n0.660208 0.879341 0.843605 P\n0.839792 0.879341 0.343605 P\n0.339792 0.120659 0.156395 P\n0.874875 0.583169 0.010057 O\n0.374875 0.416831 0.489943 O\n0.125125 0.416831 0.989943 O\n0.625125 0.583169 0.510057 O\n0.091665 0.976520 0.791226 O\n0.591665 0.023480 0.708774 O\n0.908335 0.023480 0.208774 O\n0.408335 0.976520 0.291226 O\n0.006575 0.551721 0.709839 O\n0.506575 0.448279 0.790161 O\n0.993425 0.448279 0.290161 O\n0.493425 0.551721 0.209839 O\n0.801023 0.916824 0.837662 O\n0.301023 0.083176 0.662338 O\n0.198977 0.083176 0.162338 O\n0.698977 0.916824 0.337662 O\n0.152428 0.306542 0.717254 O\n0.652428 0.693458 0.782746 O\n0.847572 0.693458 0.282746 O\n0.347572 0.306542 0.217254 O\n0.101237 0.144171 0.477999 O\n0.601237 0.855829 0.022001 O\n0.898763 0.855829 0.522001 O\n0.398763 0.144171 0.977999 O\n0.948887 0.242126 0.884098 O\n0.448887 0.757874 0.615902 O\n0.051113 0.757874 0.115902 O\n0.551113 0.242126 0.384098 O\n",
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"elements": [
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],
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"formula_full": "Rb4 Cu6 P8 O28",
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{
"id": "mp-888867",
"created_at": "2022-09-04T14:40:54.299952Z",
"structure_string": "Li16 Ti16 O32\n1.0\n7.763409 0.000000 0.000000\n-1.706695 8.573623 0.000000\n-0.001239 -4.443459 9.499877\nLi Ti O\n16 16 32\ndirect\n0.906861 0.751306 0.257466 Li\n0.766288 0.644256 0.755892 Li\n0.353422 0.230496 0.992150 Li\n0.508734 0.636265 0.511155 Li\n0.751667 0.336930 0.743967 Li\n0.847435 0.219621 0.499137 Li\n0.413292 0.749587 0.761227 Li\n0.498806 0.334913 0.499517 Li\n0.596914 0.239502 0.237504 Li\n0.163233 0.740526 0.519008 Li\n0.251377 0.336757 0.248563 Li\n0.243305 0.989353 0.245661 Li\n0.661381 0.743826 0.014108 Li\n0.094279 0.231966 0.741726 Li\n0.262826 0.638615 0.257063 Li\n0.008911 0.629130 0.012497 Li\n0.688667 0.112654 0.994295 Ti\n0.829525 0.539989 0.504752 Ti\n0.690001 0.460260 0.986942 Ti\n0.827099 0.878275 0.498819 Ti\n0.437847 0.453994 0.742980 Ti\n0.922052 0.086568 0.259171 Ti\n0.584007 0.868619 0.261042 Ti\n0.081459 0.514516 0.771480 Ti\n0.933547 0.450025 0.244994 Ti\n0.433551 0.103783 0.749864 Ti\n0.082206 0.866409 0.761682 Ti\n0.581769 0.520486 0.265294 Ti\n0.182054 0.103540 0.499390 Ti\n0.317071 0.525166 0.009717 Ti\n0.173075 0.439623 0.497582 Ti\n0.325503 0.873863 0.003083 Ti\n0.877710 0.313614 0.876105 O\n0.958630 0.535672 0.632653 O\n0.556677 0.453638 0.868114 O\n0.961499 0.877218 0.627471 O\n0.873866 0.670956 0.872338 O\n0.227943 0.220487 0.872666 O\n0.301753 0.442640 0.622192 O\n0.690619 0.887114 0.376292 O\n0.628172 0.660149 0.625379 O\n0.974524 0.216735 0.623184 O\n0.529285 0.747843 0.888892 O\n0.792148 0.092135 0.130665 O\n0.462780 0.880289 0.126162 O\n0.371882 0.671627 0.369652 O\n0.210429 0.529826 0.883279 O\n0.724887 0.220708 0.372720 O\n0.283717 0.750684 0.636796 O\n0.803142 0.442880 0.121796 O\n0.628060 0.317926 0.628792 O\n0.556295 0.091962 0.880066 O\n0.202158 0.881639 0.878229 O\n0.467499 0.216523 0.122293 O\n0.045915 0.764539 0.376624 O\n0.381666 0.315390 0.381583 O\n0.305007 0.091952 0.629652 O\n0.707650 0.526487 0.385486 O\n0.784798 0.754295 0.134833 O\n0.141010 0.302740 0.140191 O\n0.057666 0.090936 0.380641 O\n0.457457 0.532994 0.135417 O\n0.050721 0.447595 0.370605 O\n0.129257 0.660421 0.125840 O\n",
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"volume": 632.3169616810053,
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"formula_full": "Li16 Ti16 O32",
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"spacegroup": 1
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{
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"created_at": "2022-09-04T14:40:54.684231Z",
"structure_string": "Zn1 In1 Rh2\n1.0\n-5.058127 5.457811 7.733130\n5.058127 -5.457811 7.733130\n5.058127 5.457811 -7.733130\nZn In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n0.000000 0.246438 0.246438 Rh\n0.000000 0.753562 0.753562 Rh\n",
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{
"id": "mp-1048896",
"created_at": "2022-09-04T14:40:53.968017Z",
"structure_string": "Mo8 P8 O32\n1.0\n2.630948 9.305125 0.000000\n-2.630948 9.305125 0.000000\n0.000000 8.542203 14.339683\nMo P O\n8 8 32\ndirect\n0.380465 0.838643 0.014287 Mo\n0.161357 0.619535 0.485713 Mo\n0.619535 0.161357 0.985713 Mo\n0.000000 0.500000 0.000000 Mo\n0.838643 0.380465 0.514287 Mo\n0.685894 0.314106 0.750000 Mo\n0.314106 0.685894 0.250000 Mo\n0.500000 0.000000 0.500000 Mo\n0.481580 0.943703 0.140437 P\n0.785202 0.241491 0.381234 P\n0.518420 0.056297 0.859563 P\n0.241491 0.785202 0.881234 P\n0.943703 0.481580 0.640437 P\n0.056297 0.518420 0.359563 P\n0.214798 0.758509 0.618766 P\n0.758509 0.214798 0.118766 P\n0.235307 0.212935 0.927174 O\n0.708871 0.143530 0.083026 O\n0.212935 0.235307 0.427174 O\n0.581038 0.273401 0.454581 O\n0.692661 0.771810 0.928562 O\n0.667060 0.429809 0.290717 O\n0.726599 0.418962 0.045419 O\n0.936743 0.049674 0.866161 O\n0.418962 0.726599 0.545419 O\n0.856470 0.291129 0.416974 O\n0.576717 0.159005 0.868634 O\n0.946935 0.446629 0.735200 O\n0.291129 0.856470 0.916974 O\n0.049674 0.936743 0.366161 O\n0.764693 0.787065 0.072826 O\n0.423283 0.840995 0.131366 O\n0.446629 0.946935 0.235200 O\n0.273401 0.581038 0.954581 O\n0.159005 0.576717 0.368634 O\n0.053065 0.553371 0.264800 O\n0.950326 0.063257 0.633839 O\n0.771810 0.692661 0.428562 O\n0.063257 0.950326 0.133839 O\n0.429809 0.667060 0.790717 O\n0.143530 0.708871 0.583026 O\n0.787065 0.764693 0.572826 O\n0.553371 0.053065 0.764800 O\n0.228190 0.307339 0.571438 O\n0.307339 0.228190 0.071438 O\n0.570191 0.332940 0.209283 O\n0.332940 0.570191 0.709283 O\n0.840995 0.423283 0.631366 O\n",
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