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{
"id": "mp-1120728",
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{
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{
"id": "mp-1222357",
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"structure_string": "Li1 Ge3 Sb1 Te5\n1.0\n17.721132 -2.141503 0.000000\n17.721132 2.141503 0.000000\n17.462343 0.000000 3.700154\nLi Ge Sb Te\n1 3 1 5\ndirect\n0.104751 0.104751 0.104751 Li\n0.298425 0.298425 0.298425 Ge\n0.898797 0.898797 0.898797 Ge\n0.498166 0.498166 0.498166 Ge\n0.701661 0.701661 0.701661 Sb\n0.000088 0.000088 0.000088 Te\n0.602848 0.602848 0.602848 Te\n0.203377 0.203377 0.203377 Te\n0.802500 0.802500 0.802500 Te\n0.403188 0.403188 0.403188 Te\n",
"nsites": 10,
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},
{
"id": "mp-1185095",
"created_at": "2022-09-04T14:43:10.062628Z",
"structure_string": "K3 Y1\n1.0\n0.000000 4.877388 4.877388\n4.877388 0.000000 4.877388\n4.877388 4.877388 0.000000\nK Y\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n",
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{
"id": "mp-1181983",
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"structure_string": "Cu4 I2 O16\n1.0\n10.401625 0.000000 -5.330880\n0.000000 5.450284 0.000000\n-0.669822 0.000000 6.270038\nCu I O\n4 2 16\ndirect\n0.608000 0.054124 0.594241 Cu\n0.392000 0.554124 0.405759 Cu\n0.909576 0.953726 0.127760 Cu\n0.090424 0.453726 0.872240 Cu\n0.759588 0.535293 0.726004 I\n0.240412 0.035293 0.273996 I\n0.439543 0.893638 0.428932 O\n0.560457 0.393638 0.571068 O\n0.055659 0.127400 0.132390 O\n0.944341 0.627400 0.867610 O\n0.322736 0.298059 0.504106 O\n0.677264 0.798059 0.495894 O\n0.213770 0.668173 0.149831 O\n0.786230 0.168173 0.850169 O\n0.305218 0.733252 0.734030 O\n0.694782 0.233252 0.265970 O\n0.239986 0.195680 0.013067 O\n0.760014 0.695680 0.986933 O\n0.588905 0.286636 0.061984 O\n0.411095 0.786636 0.938016 O\n0.007374 0.333019 0.561160 O\n0.992626 0.833019 0.438840 O\n",
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"formula_full": "Cu4 I2 O16",
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{
"id": "mp-1025733",
"created_at": "2022-09-04T14:43:10.069814Z",
"structure_string": "Te4 Mo3 Se2\n1.0\n1.739568 -3.013020 0.000000\n1.739568 3.013020 0.000000\n0.000000 0.000000 32.033640\nTe Mo Se\n4 3 2\ndirect\n0.000000 0.000000 0.404394 Te\n0.333333 0.666667 0.520894 Te\n0.333333 0.666667 0.635769 Te\n0.000000 0.000000 0.289488 Te\n0.000000 0.000000 0.115665 Mo\n0.000000 0.000000 0.578370 Mo\n0.333333 0.666667 0.346975 Mo\n0.333333 0.666667 0.064946 Se\n0.333333 0.666667 0.166339 Se\n",
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{
"id": "mp-1173843",
"created_at": "2022-09-04T14:43:10.116846Z",
"structure_string": "Na6 H24 Ru4 C8 O36\n1.0\n-9.688341 0.000000 0.000000\n-0.281667 -9.687784 0.000000\n3.293261 2.773816 8.979471\nNa H Ru C O\n6 24 4 8 36\ndirect\n0.605125 0.005147 0.386795 Na\n0.839880 0.370626 0.793672 Na\n0.999852 0.500955 0.500203 Na\n0.160591 0.629026 0.205590 Na\n0.557544 0.966883 0.995119 Na\n0.392385 0.995334 0.613704 Na\n0.861925 0.080666 0.642852 H\n0.129379 0.153292 0.560767 H\n0.231018 0.215033 0.724486 H\n0.880234 0.160413 0.532485 H\n0.342274 0.160549 0.411892 H\n0.493492 0.251168 0.517578 H\n0.570380 0.223349 0.227543 H\n0.725478 0.168217 0.232728 H\n0.105120 0.481231 0.776336 H\n0.577193 0.486766 0.649017 H\n0.658857 0.446260 0.528056 H\n0.019010 0.615405 0.813504 H\n0.981069 0.384798 0.187436 H\n0.340816 0.552726 0.470849 H\n0.422984 0.512806 0.350417 H\n0.894739 0.518940 0.223623 H\n0.281210 0.846814 0.782049 H\n0.409955 0.758695 0.746649 H\n0.506826 0.749272 0.482723 H\n0.658693 0.839232 0.587440 H\n0.119637 0.839548 0.467657 H\n0.767926 0.781071 0.277316 H\n0.870290 0.848582 0.439189 H\n0.138661 0.919332 0.357463 H\n0.888683 0.042525 0.953086 Ru\n0.596889 0.556065 0.990311 Ru\n0.402716 0.442661 0.008675 Ru\n0.114352 0.961072 0.047672 Ru\n0.599857 0.239256 0.906056 C\n0.002568 0.137514 0.282391 C\n0.132827 0.245345 0.007755 C\n0.338037 0.498374 0.716623 C\n0.661289 0.500853 0.282576 C\n0.867716 0.757279 0.994005 C\n0.999232 0.864048 0.717842 C\n0.400155 0.760318 0.096462 C\n0.648269 0.114850 0.868172 O\n0.190911 0.123565 0.648152 O\n0.476137 0.246305 0.933803 O\n0.987960 0.224505 0.953653 O\n0.113347 0.062006 0.260413 O\n0.821314 0.155427 0.594535 O\n0.439412 0.154623 0.481203 O\n0.670590 0.356968 0.916551 O\n0.627307 0.138455 0.228567 O\n0.002106 0.201088 0.412266 O\n0.212912 0.145139 0.049536 O\n0.892218 0.147252 0.165385 O\n0.283926 0.439326 0.794723 O\n0.625253 0.409410 0.596380 O\n0.005000 0.516009 0.748669 O\n0.260910 0.501093 0.588164 O\n0.474606 0.556838 0.777893 O\n0.188306 0.367297 0.018469 O\n0.811037 0.635622 0.981704 O\n0.524938 0.442089 0.220959 O\n0.738373 0.499337 0.411378 O\n0.995075 0.484640 0.251213 O\n0.375484 0.590304 0.403666 O\n0.715595 0.559849 0.204284 O\n0.111819 0.858236 0.834837 O\n0.787350 0.860243 0.956670 O\n0.997878 0.799238 0.587607 O\n0.377446 0.856538 0.769912 O\n0.329621 0.641465 0.083359 O\n0.560424 0.846182 0.520779 O\n0.178034 0.843630 0.404832 O\n0.887308 0.937706 0.740288 O\n0.012097 0.776059 0.042089 O\n0.523717 0.752888 0.066518 O\n0.806758 0.874762 0.350222 O\n0.353997 0.884010 0.138859 O\n",
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{
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{
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"structure_string": "Li6 Mn4 P14 O42\n1.0\n6.791148 0.000000 0.000000\n-2.914301 -6.537635 0.000000\n-3.062996 0.767288 -19.067747\nLi Mn P O\n6 4 14 42\ndirect\n0.255775 0.802061 0.750995 Li\n0.442244 0.239620 0.578836 Li\n0.828001 0.873746 0.871725 Li\n0.171999 0.126254 0.128275 Li\n0.557756 0.760380 0.421164 Li\n0.744225 0.197939 0.249005 Li\n0.601080 0.812014 0.616168 Mn\n0.385975 0.149195 0.876990 Mn\n0.614025 0.850805 0.123010 Mn\n0.398920 0.187986 0.383832 Mn\n0.297106 0.728645 0.962858 P\n0.191102 0.772869 0.495989 P\n0.021280 0.696401 0.068628 P\n0.087260 0.423034 0.399756 P\n0.044213 0.108954 0.720329 P\n0.351150 0.828446 0.268225 P\n0.466995 0.464578 0.751393 P\n0.533005 0.535422 0.248607 P\n0.648850 0.171554 0.731775 P\n0.955787 0.891046 0.279671 P\n0.912740 0.576966 0.600244 P\n0.978720 0.303599 0.931372 P\n0.808898 0.227131 0.504011 P\n0.702894 0.271355 0.037142 P\n0.096333 0.753767 0.991267 O\n0.978791 0.716805 0.532973 O\n0.308655 0.826677 0.892718 O\n0.080480 0.659930 0.663459 O\n0.218133 0.485328 0.952217 O\n0.025266 0.127607 0.908481 O\n0.086938 0.641551 0.422359 O\n0.277718 0.997364 0.483412 O\n0.092864 0.772122 0.255035 O\n0.503208 0.796193 0.015606 O\n0.106849 0.998191 0.781636 O\n0.257753 0.297019 0.699889 O\n0.339750 0.683358 0.536199 O\n0.178001 0.626679 0.112409 O\n0.324704 0.459309 0.400430 O\n0.429112 0.432630 0.826031 O\n0.453327 0.913124 0.343088 O\n0.459001 0.958458 0.211229 O\n0.071654 0.011697 0.346621 O\n0.517261 0.673427 0.722863 O\n0.339517 0.600723 0.261692 O\n0.660483 0.399277 0.738308 O\n0.482739 0.326573 0.277137 O\n0.928346 0.988303 0.653379 O\n0.540999 0.041542 0.788771 O\n0.546673 0.086876 0.656912 O\n0.570888 0.567370 0.173969 O\n0.675296 0.540691 0.599570 O\n0.821999 0.373321 0.887591 O\n0.660250 0.316642 0.463801 O\n0.742247 0.702981 0.300111 O\n0.893151 0.001809 0.218364 O\n0.496792 0.203807 0.984394 O\n0.907136 0.227878 0.744965 O\n0.722282 0.002636 0.516588 O\n0.913062 0.358449 0.577641 O\n0.974734 0.872393 0.091519 O\n0.781867 0.514672 0.047783 O\n0.919520 0.340070 0.336541 O\n0.691345 0.173323 0.107282 O\n0.021209 0.283195 0.467027 O\n0.903667 0.246233 0.008733 O\n",
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"formula_full": "Li6 Mn4 P14 O42",
"formula_reduced": "Li3Mn2(PO3)7",
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"updated_at": "2021-11-28T01:36:12.796000Z",
"spacegroup": 2
},
{
"id": "mp-1191502",
"created_at": "2022-09-04T14:43:10.133620Z",
"structure_string": "V2 In2 Se4 O16\n1.0\n6.957324 0.000000 0.000000\n0.000000 4.826753 0.000000\n0.000000 1.519148 10.680732\nV In Se O\n2 2 4 16\ndirect\n0.249172 0.873980 0.457993 V\n0.750828 0.873980 0.457993 V\n0.249800 0.785774 0.948573 In\n0.750200 0.785774 0.948573 In\n0.500000 0.344161 0.762982 Se\n0.000000 0.234983 0.137797 Se\n0.000000 0.527475 0.696482 Se\n0.500000 0.681977 0.231899 Se\n0.300112 0.176693 0.831027 O\n0.699888 0.176693 0.831027 O\n0.000000 0.995766 0.023629 O\n0.198598 0.432884 0.090315 O\n0.801402 0.432884 0.090315 O\n0.500000 0.845390 0.073849 O\n0.500000 0.632909 0.851074 O\n0.000000 0.659978 0.841925 O\n0.199052 0.713838 0.635281 O\n0.800948 0.713838 0.635281 O\n0.500000 0.755537 0.488198 O\n0.246389 0.207940 0.464625 O\n0.753611 0.207940 0.464625 O\n0.303906 0.864953 0.278776 O\n0.696094 0.864953 0.278776 O\n0.000000 0.778801 0.425167 O\n",
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"volume": 358.67269984246695,
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"formula_full": "V2 In2 Se4 O16",
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},
{
"id": "mp-1214978",
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"structure_string": "B4 Ru4\n1.0\n-2.607819 0.000000 0.000000\n0.000000 0.000000 -4.568953\n0.000000 -8.153379 0.000000\nB Ru\n4 4\ndirect\n0.500000 0.754370 0.901316 B\n0.500000 0.754370 0.098684 B\n0.500000 0.245630 0.401316 B\n0.500000 0.245630 0.598684 B\n0.500000 0.252423 0.836869 Ru\n0.500000 0.252423 0.163131 Ru\n0.500000 0.747577 0.336869 Ru\n0.500000 0.747577 0.663131 Ru\n",
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]
}