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{
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{
"id": "mp-887511",
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"structure_string": "Fe10 O4 F16\n1.0\n4.793882 0.000000 0.000000\n0.000000 5.753226 0.000000\n0.000000 2.587139 13.458140\nFe O F\n10 4 16\ndirect\n0.515372 0.757602 0.989079 Fe\n0.502482 0.535202 0.603998 Fe\n0.531660 0.135379 0.789156 Fe\n0.485694 0.943613 0.400487 Fe\n0.481729 0.351832 0.196616 Fe\n0.985694 0.056387 0.599513 Fe\n0.031660 0.864621 0.210844 Fe\n0.981729 0.648168 0.803384 Fe\n0.002482 0.464798 0.396002 Fe\n0.015372 0.242398 0.010921 Fe\n0.185248 0.168744 0.133350 O\n0.203720 0.773665 0.329612 O\n0.703720 0.226335 0.670388 O\n0.685248 0.831256 0.866650 O\n0.207676 0.962192 0.747139 F\n0.201240 0.553236 0.949239 F\n0.195446 0.374965 0.538775 F\n0.288765 0.059709 0.942329 F\n0.298563 0.867661 0.546507 F\n0.301259 0.277697 0.336136 F\n0.299760 0.692734 0.121977 F\n0.301385 0.444445 0.761418 F\n0.707676 0.037808 0.252861 F\n0.701240 0.446764 0.050761 F\n0.695446 0.625035 0.461225 F\n0.799760 0.307266 0.878023 F\n0.788765 0.940291 0.057671 F\n0.798563 0.132339 0.453493 F\n0.801259 0.722303 0.663864 F\n0.801385 0.555555 0.238582 F\n",
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},
{
"id": "mp-1247080",
"created_at": "2022-09-04T14:41:11.544918Z",
"structure_string": "Mg2 V2 Cr2 S8\n1.0\n6.161073 0.000641 3.558431\n2.025420 5.951733 3.608488\n-0.075793 0.007685 7.248184\nMg V Cr S\n2 2 2 8\ndirect\n0.873687 0.876227 0.876214 Mg\n0.126318 0.123802 0.123768 Mg\n0.499956 0.500023 0.499976 V\n0.000028 0.499996 0.500010 V\n0.500016 0.499962 0.000004 Cr\n0.500010 0.999974 0.500058 Cr\n0.737063 0.737147 0.737139 S\n0.264758 0.256777 0.713632 S\n0.264745 0.713643 0.256776 S\n0.711238 0.262907 0.262878 S\n0.735225 0.286391 0.743179 S\n0.288767 0.737100 0.737109 S\n0.262936 0.262843 0.262874 S\n0.735257 0.743203 0.286384 S\n",
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"elements": [
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"volume": 267.26426044898886,
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"formula_full": "Mg2 V2 Cr2 S8",
"formula_reduced": "MgVCrS4",
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{
"id": "mp-1444",
"created_at": "2022-09-04T14:41:11.549481Z",
"structure_string": "Ca2 Cd4\n1.0\n-2.515440 3.667626 4.346251\n2.515440 -3.667626 4.346251\n2.515440 3.667626 -4.346251\nCa Cd\n2 4\ndirect\n0.775292 0.525292 0.250000 Ca\n0.224708 0.474708 0.750000 Ca\n0.635939 0.165784 0.470155 Cd\n0.364061 0.834216 0.529845 Cd\n0.804370 0.834216 0.970155 Cd\n0.195630 0.165784 0.029845 Cd\n",
"nsites": 6,
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"elements": [
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"formula_full": "Ca2 Cd4",
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"energy": -9.67443354,
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"spacegroup": 74
},
{
"id": "mp-1235049",
"created_at": "2022-09-04T14:41:11.556622Z",
"structure_string": "K2 Li1 H2 Se2 O6\n1.0\n5.025437 -0.299693 -1.440314\n-1.234981 6.630866 -2.430200\n0.073351 -0.687387 6.848659\nK Li H Se O\n2 1 2 2 6\ndirect\n0.346738 0.629066 0.193411 K\n0.652497 0.281820 0.779407 K\n0.533161 0.764784 0.833390 Li\n0.220681 0.140989 0.032963 H\n0.910291 0.772127 0.054735 H\n0.934393 0.218851 0.320505 Se\n0.017059 0.851796 0.649956 Se\n0.191613 0.138615 0.879521 O\n0.733173 0.700376 0.044891 O\n0.903997 0.426867 0.265014 O\n0.148943 0.728906 0.797311 O\n0.244578 0.170898 0.301444 O\n0.687874 0.841573 0.643747 O\n",
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"elements": [
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],
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"density": 2.6121272151475323,
"density_atomic": 0.05995773391513148,
"volume": 216.81940178728473,
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"formula_full": "K2 Li1 H2 Se2 O6",
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{
"id": "mp-695608",
"created_at": "2022-09-04T14:41:11.569099Z",
"structure_string": "Rb8 Ba1 Na1 Al11 Si13 O48\n1.0\n12.241645 0.000000 0.000000\n-0.012246 12.270855 0.000000\n-0.084821 -0.061849 12.611525\nRb Ba Na Al Si O\n8 1 1 11 13 48\ndirect\n0.473054 0.479736 0.983923 Rb\n0.026139 0.462322 0.442560 Rb\n0.463847 0.026570 0.443671 Rb\n0.717904 0.708029 0.274346 Rb\n0.238404 0.759254 0.258212 Rb\n0.757493 0.236797 0.262775 Rb\n0.673605 0.664470 0.747888 Rb\n0.113133 0.133595 0.998332 Rb\n0.899890 0.897049 0.175222 Ba\n0.838824 0.837481 0.847241 Na\n0.190925 0.380701 0.001117 Al\n0.995055 0.806903 0.393431 Al\n0.808307 0.990581 0.393564 Al\n0.005642 0.187441 0.382141 Al\n0.187235 0.008662 0.381943 Al\n0.993138 0.632020 0.175425 Al\n0.999333 0.364826 0.181979 Al\n0.634926 0.991657 0.174690 Al\n0.367190 0.002599 0.181342 Al\n0.622522 0.808615 0.994293 Al\n0.810092 0.623921 0.994966 Al\n0.182724 0.631902 0.993928 Si\n0.633126 0.179553 0.993282 Si\n0.379144 0.189252 0.998697 Si\n0.001077 0.621038 0.813715 Si\n0.001162 0.373282 0.816089 Si\n0.622633 0.000400 0.813002 Si\n0.374694 0.004430 0.815987 Si\n0.001167 0.813999 0.636790 Si\n0.999885 0.184806 0.632479 Si\n0.814453 0.997115 0.635227 Si\n0.184467 0.003357 0.632966 Si\n0.364904 0.821873 0.995411 Si\n0.818271 0.365453 0.996349 Si\n0.485668 0.768379 0.004456 O\n0.278572 0.722099 0.978142 O\n0.709935 0.286281 0.980711 O\n0.243532 0.515134 0.009780 O\n0.311110 0.300957 0.982033 O\n0.648561 0.889696 0.878294 O\n0.890429 0.652046 0.878926 O\n0.358893 0.896380 0.886929 O\n0.891529 0.355915 0.887864 O\n0.112506 0.629470 0.882549 O\n0.636307 0.112009 0.881243 O\n0.112498 0.359711 0.883096 O\n0.363523 0.115146 0.887960 O\n0.498267 0.999799 0.761254 O\n0.992369 0.497701 0.761492 O\n0.005201 0.716669 0.724270 O\n0.282124 0.003292 0.724002 O\n0.993580 0.281740 0.722068 O\n0.717054 0.001338 0.723137 O\n0.887727 0.885587 0.669845 O\n0.106418 0.894145 0.651561 O\n0.892657 0.103559 0.648978 O\n0.107266 0.109355 0.661152 O\n0.753256 0.984779 0.522823 O\n0.991431 0.754046 0.523300 O\n0.240392 0.004619 0.518291 O\n0.002324 0.240357 0.517811 O\n0.863121 0.859758 0.368052 O\n0.099313 0.896889 0.370537 O\n0.896456 0.096316 0.373088 O\n0.130587 0.132536 0.353570 O\n0.299780 0.982307 0.300421 O\n0.002532 0.718263 0.285015 O\n0.973990 0.299204 0.302257 O\n0.721333 0.998446 0.283784 O\n0.987835 0.501265 0.220076 O\n0.503443 0.995360 0.218945 O\n0.681598 0.871643 0.106629 O\n0.329691 0.890269 0.098872 O\n0.873340 0.682619 0.107463 O\n0.105020 0.667271 0.091827 O\n0.884008 0.326050 0.099874 O\n0.114590 0.333256 0.105729 O\n0.670389 0.104628 0.091433 O\n0.338496 0.118268 0.098476 O\n0.691416 0.691240 0.956222 O\n0.769254 0.487896 0.005044 O\n0.508613 0.228917 0.007707 O\n",
"nsites": 82,
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"elements": [
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"Na",
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],
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"density_atomic": 0.04328442393343037,
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"formula_full": "Rb8 Ba1 Na1 Al11 Si13 O48",
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"spacegroup": 1
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{
"id": "mp-1210284",
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"structure_string": "Nb13 Ag1 O33\n1.0\n0.000000 -3.822542 0.000000\n-11.464667 1.911271 0.360680\n0.018372 0.000000 -15.741145\nNb Ag O\n13 1 33\ndirect\n0.708316 0.416631 0.625885 Nb\n0.291684 0.583369 0.374115 Nb\n0.914907 0.829814 0.325128 Nb\n0.085093 0.170186 0.674872 Nb\n0.153683 0.307367 0.903845 Nb\n0.846317 0.692633 0.096155 Nb\n0.928702 0.857403 0.773507 Nb\n0.071298 0.142597 0.226493 Nb\n0.775489 0.550978 0.862968 Nb\n0.224511 0.449022 0.137032 Nb\n0.863280 0.726561 0.533747 Nb\n0.136720 0.273439 0.466253 Nb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.500000 Ag\n0.081122 0.162243 0.951845 O\n0.918878 0.837757 0.048155 O\n0.430695 0.861390 0.745688 O\n0.569305 0.138610 0.254312 O\n0.732574 0.465148 0.735996 O\n0.267426 0.534852 0.264004 O\n0.679438 0.358876 0.901326 O\n0.320562 0.641124 0.098674 O\n0.652677 0.305353 0.496960 O\n0.347323 0.694647 0.503040 O\n0.250259 0.500518 0.863000 O\n0.749741 0.499482 0.137000 O\n0.805972 0.611944 0.972279 O\n0.194028 0.388056 0.027721 O\n0.899107 0.798214 0.635792 O\n0.100893 0.201786 0.364208 O\n0.609826 0.219652 0.662888 O\n0.390174 0.780348 0.337112 O\n0.964649 0.929298 0.881463 O\n0.035351 0.070702 0.118537 O\n0.872861 0.745721 0.212314 O\n0.127139 0.254279 0.787686 O\n0.932480 0.864959 0.455914 O\n0.067520 0.135041 0.544086 O\n0.847065 0.694129 0.805011 O\n0.152935 0.305871 0.194989 O\n0.778055 0.556110 0.569496 O\n0.221945 0.443890 0.430504 O\n0.817664 0.635328 0.388328 O\n0.182336 0.364672 0.611672 O\n0.500000 0.000000 0.000000 O\n0.988672 0.977344 0.289132 O\n0.011328 0.022656 0.710868 O\n",
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{
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{
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"structure_string": "Al1 Fe2 W1\n1.0\n0.000000 2.934587 2.934587\n2.934587 0.000000 2.934587\n2.934587 2.934587 0.000000\nAl Fe W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 W\n",
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{
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{
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{
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{
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}
]
}