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{
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{
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"formula_full": "Sr2 Tb1 V1 O6",
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{
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{
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"structure_string": "Th8 W16 O64\n1.0\n9.938707 0.000000 0.000000\n0.000000 10.527097 0.000000\n0.000000 0.000000 14.820057\nTh W O\n8 16 64\ndirect\n0.275749 0.965598 0.609201 Th\n0.724251 0.034402 0.390799 Th\n0.224251 0.465598 0.390799 Th\n0.724251 0.534402 0.109201 Th\n0.775749 0.534402 0.609201 Th\n0.275749 0.465598 0.890799 Th\n0.775749 0.034402 0.890799 Th\n0.224251 0.965598 0.109201 Th\n0.001173 0.724011 0.940353 W\n0.998827 0.275989 0.059647 W\n0.498827 0.224011 0.059647 W\n0.998827 0.775989 0.440353 W\n0.501173 0.775989 0.940353 W\n0.001173 0.224011 0.559647 W\n0.501173 0.275989 0.559647 W\n0.498827 0.724011 0.440353 W\n0.181633 0.604828 0.651837 W\n0.818367 0.395172 0.348163 W\n0.318367 0.104828 0.348163 W\n0.818367 0.895172 0.151837 W\n0.681633 0.895172 0.651837 W\n0.181633 0.104828 0.848163 W\n0.681633 0.395172 0.848163 W\n0.318367 0.604828 0.151837 W\n0.388998 0.674545 0.876158 O\n0.611002 0.325455 0.123842 O\n0.111002 0.174545 0.123842 O\n0.611002 0.825455 0.376158 O\n0.888998 0.825455 0.876158 O\n0.388998 0.174545 0.623842 O\n0.888998 0.325455 0.623842 O\n0.111002 0.674545 0.376158 O\n0.236585 0.571052 0.537574 O\n0.763415 0.428948 0.462426 O\n0.263415 0.071052 0.462426 O\n0.763415 0.928948 0.037574 O\n0.736585 0.928948 0.537574 O\n0.236585 0.071052 0.962426 O\n0.736585 0.428948 0.962426 O\n0.263415 0.571052 0.037574 O\n0.117706 0.830311 0.996203 O\n0.882294 0.169689 0.003797 O\n0.382294 0.330311 0.003797 O\n0.882294 0.669689 0.496203 O\n0.617706 0.669689 0.996203 O\n0.117706 0.330311 0.503797 O\n0.617706 0.169689 0.503797 O\n0.382294 0.830311 0.496203 O\n0.228888 0.767089 0.677810 O\n0.771112 0.232911 0.322190 O\n0.271112 0.267089 0.322190 O\n0.771112 0.732911 0.177810 O\n0.728888 0.732911 0.677810 O\n0.228888 0.267089 0.822190 O\n0.728888 0.232911 0.822190 O\n0.271112 0.767089 0.177810 O\n0.092562 0.610355 0.869499 O\n0.907438 0.389645 0.130501 O\n0.407438 0.110355 0.130501 O\n0.907438 0.889645 0.369499 O\n0.592562 0.889645 0.869499 O\n0.092562 0.110355 0.630501 O\n0.592562 0.389645 0.630501 O\n0.407438 0.610355 0.369499 O\n0.263363 0.998341 0.769498 O\n0.736637 0.001659 0.230502 O\n0.236637 0.498341 0.230502 O\n0.736637 0.501659 0.269498 O\n0.763363 0.501659 0.769498 O\n0.263363 0.498341 0.730502 O\n0.763363 0.001659 0.730502 O\n0.236637 0.998341 0.269498 O\n0.092559 0.861185 0.525994 O\n0.907441 0.138815 0.474006 O\n0.407441 0.361185 0.474006 O\n0.907441 0.638815 0.025994 O\n0.592559 0.638815 0.525994 O\n0.092559 0.361185 0.974006 O\n0.592559 0.138815 0.974006 O\n0.407441 0.861185 0.025994 O\n0.000950 0.582162 0.655798 O\n0.999050 0.417838 0.344202 O\n0.499050 0.082162 0.344202 O\n0.999050 0.917838 0.155798 O\n0.500950 0.917838 0.655798 O\n0.000950 0.082162 0.844202 O\n0.500950 0.417838 0.844202 O\n0.499050 0.582162 0.155798 O\n",
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"volume": 1550.5593214446014,
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{
"id": "mp-1074069",
"created_at": "2022-09-04T14:41:20.694995Z",
"structure_string": "Mg18 Si10\n1.0\n7.409585 0.000000 0.000000\n3.686009 6.604825 0.000000\n2.771125 0.137199 11.234352\nMg Si\n18 10\ndirect\n0.012009 0.291997 0.285957 Mg\n0.168276 0.914374 0.444593 Mg\n0.270253 0.515841 0.355357 Mg\n0.923943 0.341523 0.546931 Mg\n0.492252 0.063599 0.294061 Mg\n0.774911 0.783767 0.452101 Mg\n0.027575 0.718098 0.825370 Mg\n0.100564 0.321243 0.991781 Mg\n0.822235 0.290992 0.827249 Mg\n0.370517 0.589202 0.954366 Mg\n0.373721 0.969038 0.828605 Mg\n0.602000 0.070768 0.990008 Mg\n0.355465 0.184300 0.579795 Mg\n0.872437 0.702410 0.148859 Mg\n0.447896 0.596198 0.614404 Mg\n0.676576 0.364954 0.145753 Mg\n0.760033 0.030299 0.653000 Mg\n0.358451 0.846520 0.152862 Mg\n0.008718 0.993246 0.018047 Si\n0.127353 0.990031 0.681285 Si\n0.685205 0.209321 0.420227 Si\n0.940544 0.972635 0.256448 Si\n0.419048 0.316555 0.799577 Si\n0.590982 0.626592 0.343556 Si\n0.702380 0.656333 0.957207 Si\n0.296398 0.380589 0.145560 Si\n0.080264 0.594997 0.583132 Si\n0.739432 0.664716 0.704211 Si\n",
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{
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"structure_string": "Eu1 Nb1 Zn1 Bi1 O6\n1.0\n0.000000 -4.042398 -4.042398\n4.042398 -0.000000 -4.042398\n4.042398 -4.042398 0.000000\nEu Nb Zn Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Bi\n0.753442 0.246558 0.246558 O\n0.246558 0.753442 0.753442 O\n0.753442 0.246558 0.753442 O\n0.246558 0.753442 0.246558 O\n0.753442 0.753442 0.246558 O\n0.246558 0.246558 0.753442 O\n",
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{
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{
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{
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},
{
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"structure_string": "Ca20 P12 S2 O48\n1.0\n6.796690 0.000000 0.000000\n0.000000 9.707564 0.000000\n0.000000 0.081276 16.764607\nCa P S O\n20 12 2 48\ndirect\n0.734038 0.000796 0.745224 Ca\n0.757481 0.874707 0.124556 Ca\n0.982408 0.760428 0.922802 Ca\n0.490398 0.745910 0.909778 Ca\n0.222496 0.626396 0.119978 Ca\n0.748177 0.490984 0.249117 Ca\n0.722496 0.373604 0.880022 Ca\n0.724807 0.387386 0.625100 Ca\n0.990398 0.254090 0.090222 Ca\n0.482408 0.239572 0.077198 Ca\n0.995329 0.240613 0.409290 Ca\n0.502513 0.255191 0.422295 Ca\n0.257481 0.125293 0.875444 Ca\n0.260146 0.127949 0.623513 Ca\n0.234038 0.999204 0.254776 Ca\n0.760146 0.872051 0.376487 Ca\n0.002513 0.744809 0.577705 Ca\n0.495329 0.759387 0.590710 Ca\n0.224807 0.612614 0.374900 Ca\n0.248177 0.509016 0.750883 Ca\n0.245845 0.918928 0.046145 P\n0.236182 0.866355 0.765140 P\n0.731722 0.533979 0.066753 P\n0.231722 0.466021 0.933247 P\n0.236076 0.419825 0.550759 P\n0.247614 0.357303 0.265182 P\n0.736182 0.133645 0.234860 P\n0.745845 0.081072 0.953855 P\n0.750877 0.031903 0.562682 P\n0.250877 0.968097 0.437318 P\n0.747614 0.642697 0.734818 P\n0.736076 0.580175 0.449241 P\n0.996810 0.746585 0.249442 S\n0.496810 0.253415 0.750558 S\n0.076902 0.976404 0.786175 O\n0.741493 0.933950 0.919029 O\n0.265235 0.921919 0.953249 O\n0.437068 0.921115 0.796310 O\n0.053039 0.837434 0.062951 O\n0.417322 0.832777 0.082035 O\n0.199256 0.729464 0.812482 O\n0.741319 0.657896 0.008269 O\n0.746541 0.663516 0.826199 O\n0.202976 0.603028 0.980306 O\n0.565119 0.558022 0.128897 O\n0.923935 0.509237 0.115551 O\n0.423935 0.490763 0.884449 O\n0.048280 0.414976 0.296228 O\n0.065119 0.441978 0.871103 O\n0.744029 0.430377 0.418372 O\n0.207805 0.416754 0.458131 O\n0.410933 0.460251 0.290933 O\n0.702976 0.396972 0.019694 O\n0.069449 0.338772 0.594326 O\n0.246541 0.336484 0.173801 O\n0.241319 0.342104 0.991731 O\n0.430437 0.339029 0.565276 O\n0.699256 0.270536 0.187518 O\n0.279784 0.218935 0.311442 O\n0.917322 0.167223 0.917965 O\n0.746618 0.155089 0.504269 O\n0.739189 0.161075 0.325606 O\n0.553039 0.162566 0.937049 O\n0.270126 0.107207 0.483237 O\n0.937068 0.078885 0.203690 O\n0.765235 0.078081 0.046751 O\n0.241493 0.066050 0.080971 O\n0.559113 0.015522 0.613211 O\n0.576902 0.023596 0.213825 O\n0.922411 0.048112 0.623218 O\n0.422411 0.951888 0.376782 O\n0.059113 0.984478 0.386789 O\n0.770126 0.892793 0.516763 O\n0.239189 0.838925 0.674394 O\n0.246618 0.844911 0.495731 O\n0.779784 0.781065 0.688558 O\n0.930437 0.660971 0.434724 O\n0.569449 0.661228 0.405674 O\n0.910933 0.539749 0.709067 O\n0.707805 0.583246 0.541869 O\n0.244029 0.569623 0.581628 O\n0.548280 0.585024 0.703772 O\n",
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"formula_full": "Ca20 P12 S2 O48",
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"updated_at": "2021-11-28T01:35:19.278000Z",
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},
{
"id": "mp-1177102",
"created_at": "2022-09-04T14:41:20.873021Z",
"structure_string": "Li5 Fe1 S4\n1.0\n-1.854581 3.374062 6.624574\n1.854581 -3.374062 6.624574\n1.854581 3.374062 -6.624574\nLi Fe S\n5 1 4\ndirect\n0.394135 0.176389 0.217746 Li\n0.958643 0.176389 0.782254 Li\n0.041357 0.823611 0.217746 Li\n0.605865 0.823611 0.782254 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Fe\n0.752743 0.000000 0.752743 S\n0.203554 0.703554 0.500000 S\n0.796446 0.296446 0.500000 S\n0.247257 0.000000 0.247257 S\n",
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"formula_full": "Li5 Fe1 S4",
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]
}