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{
"id": "mp-1042385",
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"structure_string": "Bi4 As8 O28\n1.0\n9.916377 0.000000 0.000000\n0.000000 7.597613 0.000000\n0.000000 3.389105 9.606236\nBi As O\n4 8 28\ndirect\n0.933704 0.186912 0.709895 Bi\n0.433704 0.813088 0.790105 Bi\n0.066296 0.813088 0.290105 Bi\n0.566296 0.186912 0.209895 Bi\n0.749195 0.590459 0.745049 As\n0.249195 0.409541 0.754951 As\n0.250805 0.409541 0.254951 As\n0.750805 0.590459 0.245049 As\n0.710347 0.966604 0.966530 As\n0.210347 0.033396 0.533470 As\n0.289653 0.033396 0.033470 As\n0.789653 0.966604 0.466530 As\n0.692244 0.137079 0.041367 O\n0.192244 0.862921 0.458633 O\n0.307756 0.862921 0.958633 O\n0.807756 0.137079 0.541367 O\n0.576247 0.627199 0.727984 O\n0.076247 0.372801 0.772016 O\n0.423753 0.372801 0.272016 O\n0.923753 0.627199 0.227984 O\n0.819596 0.621666 0.883726 O\n0.319596 0.378334 0.616274 O\n0.180404 0.378334 0.116274 O\n0.680404 0.621666 0.383726 O\n0.830725 0.748624 0.589004 O\n0.330725 0.251376 0.910996 O\n0.169275 0.251376 0.410996 O\n0.669275 0.748624 0.089004 O\n0.898087 0.993662 0.330807 O\n0.398087 0.006338 0.169193 O\n0.101913 0.006338 0.669193 O\n0.601913 0.993662 0.830807 O\n0.732357 0.379171 0.217967 O\n0.232357 0.620829 0.282033 O\n0.267643 0.620829 0.782033 O\n0.767643 0.379171 0.717967 O\n0.624394 0.979649 0.409232 O\n0.124394 0.020351 0.090768 O\n0.375606 0.020351 0.590768 O\n0.875606 0.979649 0.909232 O\n",
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{
"id": "mp-1220972",
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"volume": 93.7076125766424,
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"formula_full": "Na1 Li1 Zn1 S2",
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},
{
"id": "mp-1304075",
"created_at": "2022-09-04T14:48:20.965654Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n5.987415 -0.076971 0.026311\n-0.074857 5.773497 -0.033896\n2.818530 2.825231 4.179451\nLi Mn Co O\n2 1 3 8\ndirect\n0.500004 0.500002 0.499996 Li\n0.500001 0.999997 0.500000 Li\n0.999979 0.999996 0.999999 Mn\n0.000010 0.500000 0.000001 Co\n0.000004 0.499996 0.499997 Co\n0.000003 0.000003 0.500001 Co\n0.206015 0.746869 0.009485 O\n0.206076 0.252404 0.009529 O\n0.209676 0.717844 0.549450 O\n0.213086 0.223030 0.539275 O\n0.786912 0.776970 0.460728 O\n0.790326 0.282157 0.450551 O\n0.793925 0.747596 0.990471 O\n0.793984 0.253136 0.990518 O\n",
"nsites": 14,
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"O"
],
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"density": 4.290483935935992,
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"volume": 144.59954409333398,
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"formula_full": "Li2 Mn1 Co3 O8",
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{
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"structure_string": "Sr32 N16 F16\n1.0\n7.674218 -10.799604 0.000000\n7.674218 10.799604 0.000000\n0.000000 0.000000 7.602574\nSr N F\n32 16 16\ndirect\n0.630934 0.369066 0.515086 Sr\n0.352112 0.361095 0.250000 Sr\n0.638905 0.647888 0.250000 Sr\n0.127584 0.369849 0.017846 Sr\n0.630151 0.872416 0.017846 Sr\n0.369066 0.630934 0.015086 Sr\n0.630934 0.369066 0.984914 Sr\n0.629435 0.140268 0.750000 Sr\n0.360849 0.870798 0.750000 Sr\n0.129202 0.639151 0.750000 Sr\n0.859732 0.370565 0.750000 Sr\n0.647888 0.638905 0.750000 Sr\n0.361095 0.352112 0.750000 Sr\n0.130541 0.869459 0.518256 Sr\n0.369849 0.127584 0.517846 Sr\n0.872416 0.630151 0.517846 Sr\n0.630151 0.872416 0.482154 Sr\n0.127584 0.369849 0.482154 Sr\n0.369066 0.630934 0.484914 Sr\n0.126400 0.137136 0.250000 Sr\n0.862864 0.873600 0.250000 Sr\n0.639151 0.129202 0.250000 Sr\n0.370565 0.859732 0.250000 Sr\n0.140268 0.629435 0.250000 Sr\n0.870798 0.360849 0.250000 Sr\n0.869459 0.130541 0.018256 Sr\n0.130541 0.869459 0.981744 Sr\n0.369849 0.127584 0.982154 Sr\n0.872416 0.630151 0.982154 Sr\n0.137136 0.126400 0.750000 Sr\n0.873600 0.862864 0.750000 Sr\n0.869459 0.130541 0.481744 Sr\n0.749490 0.250510 0.999505 N\n0.749490 0.250510 0.500495 N\n0.247077 0.247077 0.000000 N\n0.752923 0.752923 0.000000 N\n0.747670 0.500457 0.750000 N\n0.499543 0.252330 0.750000 N\n0.250510 0.749490 0.499505 N\n0.752923 0.752923 0.500000 N\n0.247077 0.247077 0.500000 N\n0.500457 0.747670 0.250000 N\n0.252330 0.499543 0.250000 N\n0.999259 0.248505 0.250000 N\n0.751495 0.000741 0.250000 N\n0.250510 0.749490 0.000495 N\n0.000741 0.751495 0.750000 N\n0.248505 0.999259 0.750000 N\n0.549286 0.450714 0.250000 F\n0.785911 0.511002 0.250000 F\n0.450714 0.549286 0.750000 F\n0.511002 0.785911 0.750000 F\n0.214089 0.488998 0.750000 F\n0.752765 0.002782 0.750000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.002782 0.752765 0.250000 F\n0.488998 0.214089 0.250000 F\n0.247235 0.997218 0.250000 F\n0.000000 0.000000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.997218 0.247235 0.750000 F\n0.000000 0.000000 0.500000 F\n",
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"volume": 1260.1800928243433,
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"formula_full": "Sr32 N16 F16",
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"spacegroup": 63
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{
"id": "mp-1182650",
"created_at": "2022-09-04T14:48:20.974054Z",
"structure_string": "K2 V10 Zn2 H32 O44\n1.0\n8.823600 0.000000 0.000000\n3.532534 10.356672 0.000000\n2.884544 4.162805 10.105893\nK V Zn H O\n2 10 2 32 44\ndirect\n0.683610 0.583349 0.225537 K\n0.316390 0.416651 0.774463 K\n0.324972 0.996681 0.478030 V\n0.675028 0.003319 0.521970 V\n0.384506 0.282334 0.446107 V\n0.615494 0.717666 0.553893 V\n0.648075 0.948493 0.274289 V\n0.351925 0.051507 0.725711 V\n0.697233 0.235928 0.242688 V\n0.302767 0.764072 0.757312 V\n0.362722 0.228088 0.196784 V\n0.637278 0.771912 0.803216 V\n0.228386 0.769538 0.208122 Zn\n0.771614 0.230462 0.791878 Zn\n0.644999 0.485898 0.812337 H\n0.355001 0.514102 0.187663 H\n0.014640 0.015234 0.748006 H\n0.985360 0.984766 0.251994 H\n0.598296 0.373482 0.955296 H\n0.401704 0.626518 0.044704 H\n0.601140 0.255666 0.610564 H\n0.398860 0.744334 0.389436 H\n0.565153 0.096847 0.999040 H\n0.434847 0.903153 0.000960 H\n0.952698 0.685627 0.307207 H\n0.047302 0.314373 0.692793 H\n0.586570 0.046340 0.879762 H\n0.413430 0.953660 0.120238 H\n0.860984 0.997387 0.712887 H\n0.139016 0.002613 0.287113 H\n0.879061 0.112714 0.029911 H\n0.120939 0.887286 0.970089 H\n0.958096 0.237713 0.927231 H\n0.041904 0.762287 0.072769 H\n0.036142 0.349859 0.375109 H\n0.963858 0.650141 0.624891 H\n0.907782 0.264138 0.417146 H\n0.092218 0.735862 0.582854 H\n0.980166 0.389926 0.986746 H\n0.019834 0.610074 0.013254 H\n0.049943 0.646919 0.422899 H\n0.950057 0.353081 0.577101 H\n0.683269 0.384699 0.552290 H\n0.316731 0.615301 0.447710 H\n0.920446 0.496010 0.853656 H\n0.079554 0.503990 0.146344 H\n0.543864 0.302439 0.128846 O\n0.456136 0.697561 0.871154 O\n0.515385 0.096183 0.380375 O\n0.484615 0.903817 0.619625 O\n0.476358 0.856166 0.410728 O\n0.523642 0.143834 0.589272 O\n0.234295 0.095604 0.333471 O\n0.765705 0.904396 0.666529 O\n0.740110 0.864318 0.447865 O\n0.259890 0.135682 0.552135 O\n0.564483 0.340360 0.342509 O\n0.435517 0.659640 0.657491 O\n0.293697 0.398688 0.512431 O\n0.706303 0.601312 0.487569 O\n0.277517 0.337541 0.301343 O\n0.722483 0.662459 0.698657 O\n0.493664 0.062297 0.162024 O\n0.506336 0.937703 0.837976 O\n0.743704 0.823038 0.219734 O\n0.256296 0.176962 0.780266 O\n0.782265 0.069511 0.203558 O\n0.217735 0.930489 0.796442 O\n0.747532 0.688779 0.923471 O\n0.252468 0.311221 0.076529 O\n0.795640 0.113268 0.412358 O\n0.204360 0.886732 0.587642 O\n0.833180 0.325216 0.156573 O\n0.166820 0.674784 0.843427 O\n0.628867 0.324526 0.632935 O\n0.371133 0.675474 0.367065 O\n0.061437 0.646089 0.333849 O\n0.938563 0.353911 0.666151 O\n0.594716 0.122341 0.901591 O\n0.405284 0.877659 0.098409 O\n0.616036 0.395183 0.858671 O\n0.383964 0.604817 0.141329 O\n0.902510 0.061811 0.729422 O\n0.097490 0.938189 0.270578 O\n0.922927 0.156394 0.935947 O\n0.077073 0.843606 0.064053 O\n0.922614 0.350963 0.413342 O\n0.077386 0.649037 0.586658 O\n0.998515 0.407492 0.892286 O\n0.001485 0.592508 0.107714 O\n",
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{
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"structure_string": "La6 Bi8 Pt6\n1.0\n-5.132545 5.132545 5.132545\n5.132545 -5.132545 5.132545\n5.132545 5.132545 -5.132545\nLa Bi Pt\n6 8 6\ndirect\n0.625000 0.375000 0.250000 La\n0.875000 0.125000 0.750000 La\n0.375000 0.250000 0.625000 La\n0.125000 0.750000 0.875000 La\n0.250000 0.625000 0.375000 La\n0.750000 0.875000 0.125000 La\n0.170825 0.170825 0.170825 Bi\n0.329175 0.500000 0.000000 Bi\n0.000000 0.329175 0.500000 Bi\n0.670825 0.670825 0.670825 Bi\n0.500000 0.000000 0.329175 Bi\n0.829175 0.500000 0.000000 Bi\n0.500000 0.000000 0.829175 Bi\n0.000000 0.829175 0.500000 Bi\n0.125000 0.875000 0.250000 Pt\n0.375000 0.625000 0.750000 Pt\n0.875000 0.250000 0.125000 Pt\n0.625000 0.750000 0.375000 Pt\n0.250000 0.125000 0.875000 Pt\n0.750000 0.375000 0.625000 Pt\n",
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{
"id": "mp-1020122",
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"structure_string": "Mg2 S4 O14\n1.0\n4.967835 0.000000 0.000000\n-1.963154 6.766322 0.000000\n-0.674092 -0.575659 8.314248\nMg S O\n2 4 14\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.505462 0.646123 0.768370 S\n0.494538 0.353877 0.231630 S\n0.130884 0.250872 0.688513 S\n0.869116 0.749128 0.311487 S\n0.733040 0.562525 0.817137 O\n0.266960 0.437475 0.182863 O\n0.342086 0.680640 0.898029 O\n0.657914 0.319360 0.101971 O\n0.588831 0.810407 0.667548 O\n0.411169 0.189593 0.332452 O\n0.285049 0.478336 0.638813 O\n0.714951 0.521664 0.361187 O\n0.898154 0.192135 0.563403 O\n0.101846 0.807865 0.436597 O\n0.338872 0.142076 0.678502 O\n0.661128 0.857924 0.321498 O\n0.052261 0.271000 0.851195 O\n0.947739 0.729000 0.148805 O\n",
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{
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{
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{
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"structure_string": "Rb4 Ce4 H8 S8 O36\n1.0\n8.908959 0.000000 0.000000\n0.000000 10.288322 0.000000\n0.000000 5.072064 9.337193\nRb Ce H S O\n4 4 8 8 36\ndirect\n0.186520 0.218541 0.306839 Rb\n0.686520 0.781459 0.193161 Rb\n0.813480 0.781459 0.693161 Rb\n0.313480 0.218541 0.806839 Rb\n0.847012 0.263515 0.970523 Ce\n0.347012 0.736485 0.529477 Ce\n0.152988 0.736485 0.029477 Ce\n0.652988 0.263515 0.470523 Ce\n0.519315 0.271326 0.064976 H\n0.019315 0.728674 0.435024 H\n0.480685 0.728674 0.935024 H\n0.980685 0.271326 0.564976 H\n0.534252 0.418249 0.920564 H\n0.034252 0.581751 0.579436 H\n0.465748 0.581751 0.079436 H\n0.965748 0.418249 0.420564 H\n0.817571 0.477405 0.114560 S\n0.317571 0.522595 0.385440 S\n0.182429 0.522595 0.885440 S\n0.682429 0.477405 0.614560 S\n0.869079 0.053514 0.823757 S\n0.369079 0.946486 0.676243 S\n0.130921 0.946486 0.176243 S\n0.630921 0.053514 0.323757 S\n0.895238 0.331924 0.163472 O\n0.395238 0.668076 0.336528 O\n0.104762 0.668076 0.836528 O\n0.604762 0.331924 0.663472 O\n0.754687 0.520354 0.970379 O\n0.254687 0.479646 0.529621 O\n0.245313 0.479646 0.029621 O\n0.745313 0.520354 0.470379 O\n0.923898 0.591510 0.109456 O\n0.423898 0.408490 0.390544 O\n0.076102 0.408490 0.890544 O\n0.576102 0.591510 0.609456 O\n0.696620 0.461480 0.218136 O\n0.196620 0.538520 0.281864 O\n0.303380 0.538520 0.781864 O\n0.803380 0.461480 0.718136 O\n0.974776 0.179697 0.787787 O\n0.474776 0.820303 0.712213 O\n0.025224 0.820303 0.212213 O\n0.525224 0.179697 0.287787 O\n0.760002 0.055126 0.930922 O\n0.260002 0.944874 0.569078 O\n0.239998 0.944874 0.069078 O\n0.739998 0.055126 0.430922 O\n0.949104 0.909025 0.887669 O\n0.449104 0.090975 0.612331 O\n0.050896 0.090975 0.112331 O\n0.550896 0.909025 0.387669 O\n0.790008 0.071428 0.693353 O\n0.290008 0.928572 0.806647 O\n0.209992 0.928572 0.306647 O\n0.709992 0.071428 0.193353 O\n0.552322 0.311438 0.964769 O\n0.052322 0.688562 0.535231 O\n0.447678 0.688562 0.035231 O\n0.947678 0.311438 0.464769 O\n",
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{
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]
}