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{
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"structure_string": "K4 Sn2 S6\n1.0\n6.895911 0.000000 0.000000\n3.028681 6.994766 0.000000\n2.502138 1.190551 7.905255\nK Sn S\n4 2 6\ndirect\n0.150141 0.460539 0.193246 K\n0.849859 0.539461 0.806754 K\n0.586641 0.208938 0.626251 K\n0.413359 0.791062 0.373749 K\n0.855421 0.064055 0.192956 Sn\n0.144579 0.935945 0.807044 Sn\n0.134141 0.180660 0.569192 S\n0.865859 0.819340 0.430808 S\n0.656461 0.393138 0.219789 S\n0.343539 0.606862 0.780211 S\n0.226565 0.045139 0.030110 S\n0.773435 0.954861 0.969890 S\n",
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{
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"structure_string": "La4 Ti2 Cr2 O12\n1.0\n2.818481 1.673118 4.547814\n-5.588282 -3.248006 4.481116\n2.832028 -4.973176 -0.025805\nLa Ti Cr O\n4 2 2 12\ndirect\n0.504815 0.250521 0.998429 La\n0.990926 0.753920 0.496646 La\n0.495122 0.749505 0.001613 La\n0.009039 0.246120 0.503395 La\n0.999986 0.999975 0.000029 Ti\n0.499999 0.500057 0.500008 Ti\n0.499987 0.000048 0.500032 Cr\n0.999996 0.499935 0.000023 Cr\n0.208606 0.536156 0.670338 O\n0.726168 0.042423 0.228572 O\n0.312353 0.468786 0.197599 O\n0.773685 0.965484 0.723942 O\n0.996848 0.756222 0.073424 O\n0.481954 0.248844 0.575576 O\n0.687706 0.531164 0.802453 O\n0.226302 0.034533 0.276066 O\n0.003314 0.243616 0.926319 O\n0.518020 0.751226 0.424470 O\n0.791369 0.463861 0.329668 O\n0.273803 0.957604 0.771398 O\n",
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{
"id": "mp-760794",
"created_at": "2022-09-04T14:40:41.280512Z",
"structure_string": "Li8 V8 F32\n1.0\n7.854217 0.000000 0.000000\n0.000000 8.611153 0.000000\n0.000000 0.000000 10.251905\nLi V F\n8 8 32\ndirect\n0.708789 0.250000 0.551967 Li\n0.743862 0.250000 0.952601 Li\n0.756138 0.750000 0.452601 Li\n0.791211 0.750000 0.051967 Li\n0.208789 0.250000 0.948033 Li\n0.243862 0.250000 0.547399 Li\n0.256138 0.750000 0.047399 Li\n0.291211 0.750000 0.448033 Li\n0.639177 0.060591 0.248873 V\n0.639177 0.439409 0.248873 V\n0.860823 0.560591 0.748873 V\n0.860823 0.939409 0.748873 V\n0.139177 0.060591 0.251127 V\n0.139177 0.439409 0.251127 V\n0.360823 0.560591 0.751127 V\n0.360823 0.939409 0.751127 V\n0.609628 0.567163 0.763498 F\n0.609628 0.932837 0.763498 F\n0.633556 0.250000 0.373578 F\n0.627142 0.587101 0.387792 F\n0.627142 0.912899 0.387792 F\n0.648088 0.250000 0.122801 F\n0.660001 0.583674 0.110657 F\n0.660001 0.916326 0.110657 F\n0.839999 0.083674 0.610657 F\n0.839999 0.416326 0.610657 F\n0.851912 0.750000 0.622801 F\n0.872858 0.087101 0.887792 F\n0.872858 0.412899 0.887792 F\n0.866444 0.750000 0.873578 F\n0.890372 0.067163 0.263498 F\n0.890372 0.432837 0.263498 F\n0.109628 0.567163 0.736502 F\n0.109628 0.932837 0.736502 F\n0.133556 0.250000 0.126422 F\n0.127142 0.587101 0.112208 F\n0.127142 0.912899 0.112208 F\n0.148088 0.250000 0.377199 F\n0.160001 0.583674 0.389343 F\n0.160001 0.916326 0.389343 F\n0.339999 0.083674 0.889343 F\n0.339999 0.416326 0.889343 F\n0.351912 0.750000 0.877199 F\n0.372858 0.087101 0.612208 F\n0.372858 0.412899 0.612208 F\n0.366444 0.750000 0.626422 F\n0.390372 0.067163 0.236502 F\n0.390372 0.432837 0.236502 F\n",
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"elements": [
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"formula_full": "Li8 V8 F32",
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{
"id": "mp-736545",
"created_at": "2022-09-04T14:40:41.286743Z",
"structure_string": "Hg4 H8 C24 N8 Cl16\n1.0\n13.791431 0.000000 0.000000\n0.000000 6.738584 0.000000\n0.000000 0.746722 16.410938\nHg H C N Cl\n4 8 24 8 16\ndirect\n0.745848 0.094661 0.085357 Hg\n0.754152 0.094661 0.585357 Hg\n0.254152 0.905339 0.914643 Hg\n0.245848 0.905339 0.414643 Hg\n0.267311 0.410961 0.956185 H\n0.232689 0.410961 0.456185 H\n0.732689 0.589039 0.043815 H\n0.767311 0.589039 0.543815 H\n0.577310 0.462201 0.679850 H\n0.922690 0.462201 0.179850 H\n0.422690 0.537799 0.320150 H\n0.077310 0.537799 0.820150 H\n0.246800 0.136062 0.019658 C\n0.253200 0.136062 0.519658 C\n0.753200 0.863938 0.980342 C\n0.746800 0.863938 0.480342 C\n0.283240 0.121959 0.099327 C\n0.216760 0.121959 0.599327 C\n0.716760 0.878041 0.900673 C\n0.783240 0.878041 0.400673 C\n0.313018 0.312481 0.071158 C\n0.186982 0.312481 0.571158 C\n0.686982 0.687519 0.928842 C\n0.813018 0.687519 0.428842 C\n0.402723 0.424325 0.756839 C\n0.097277 0.424325 0.256839 C\n0.597277 0.575675 0.243161 C\n0.902723 0.575675 0.743161 C\n0.496530 0.458687 0.785357 C\n0.003470 0.458687 0.285357 C\n0.503470 0.541313 0.214643 C\n0.996530 0.541313 0.714643 C\n0.439552 0.568010 0.701020 C\n0.060448 0.568010 0.201020 C\n0.560448 0.431990 0.298980 C\n0.939552 0.431990 0.798980 C\n0.239674 0.351501 0.010391 N\n0.260326 0.351501 0.510391 N\n0.760326 0.648499 0.989609 N\n0.739674 0.648499 0.489609 N\n0.541515 0.560838 0.716858 N\n0.958485 0.560838 0.216858 N\n0.458485 0.439162 0.283142 N\n0.041515 0.439162 0.783142 N\n0.706632 0.642617 0.207099 Cl\n0.793368 0.642617 0.707099 Cl\n0.293368 0.357383 0.792901 Cl\n0.206632 0.357383 0.292901 Cl\n0.578667 0.158607 0.104736 Cl\n0.921333 0.158607 0.604736 Cl\n0.421333 0.841393 0.895264 Cl\n0.078667 0.841393 0.395264 Cl\n0.912713 0.160519 0.113810 Cl\n0.587287 0.160519 0.613810 Cl\n0.087287 0.839481 0.886190 Cl\n0.412713 0.839481 0.386190 Cl\n0.818871 0.052833 0.332494 Cl\n0.681129 0.052833 0.832494 Cl\n0.181129 0.947167 0.667506 Cl\n0.318871 0.947167 0.167506 Cl\n",
"nsites": 60,
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"elements": [
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],
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"density": 1.935820371092367,
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"volume": 1525.1458668153475,
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"formula_full": "Hg4 H8 C24 N8 Cl16",
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"spacegroup": 14
},
{
"id": "mp-1188092",
"created_at": "2022-09-04T14:40:41.292502Z",
"structure_string": "Pu4 W4 C8\n1.0\n3.291755 0.000000 0.000000\n0.000000 5.698254 0.000000\n0.000000 0.000000 10.935962\nPu W C\n4 4 8\ndirect\n0.250000 0.085014 0.860280 Pu\n0.250000 0.585014 0.639720 Pu\n0.750000 0.914986 0.139720 Pu\n0.750000 0.414986 0.360280 Pu\n0.250000 0.413096 0.106935 W\n0.250000 0.913096 0.393065 W\n0.750000 0.586904 0.893065 W\n0.750000 0.086904 0.606935 W\n0.250000 0.161663 0.245394 C\n0.250000 0.661663 0.254606 C\n0.750000 0.838337 0.754606 C\n0.750000 0.338337 0.745394 C\n0.250000 0.736060 0.989312 C\n0.250000 0.236060 0.510688 C\n0.750000 0.263940 0.010688 C\n0.750000 0.763940 0.489312 C\n",
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"formula_full": "Pu4 W4 C8",
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{
"id": "mp-1378345",
"created_at": "2022-09-04T14:40:41.300907Z",
"structure_string": "Li4 Ti3 Ni3 O12\n1.0\n2.817053 7.212682 0.000000\n-2.817053 7.212682 0.000000\n0.000000 0.644088 5.288470\nLi Ti Ni O\n4 3 3 12\ndirect\n0.826627 0.173373 0.000000 Li\n0.165594 0.500730 0.331255 Li\n0.080839 0.919161 0.500000 Li\n0.499270 0.834406 0.668745 Li\n0.913234 0.748335 0.846072 Ti\n0.251665 0.086766 0.153928 Ti\n0.588733 0.411267 0.500000 Ti\n0.332631 0.667369 0.000000 Ni\n0.664712 0.005597 0.337574 Ni\n0.994403 0.335288 0.662426 Ni\n0.255569 0.604085 0.697485 O\n0.652463 0.498551 0.788556 O\n0.174247 0.014847 0.871626 O\n0.077732 0.412874 0.971486 O\n0.587126 0.922268 0.028514 O\n0.985153 0.825753 0.128374 O\n0.501449 0.347537 0.211444 O\n0.395915 0.744431 0.302515 O\n0.922655 0.257316 0.367370 O\n0.318848 0.158723 0.450736 O\n0.841277 0.681152 0.549264 O\n0.751515 0.079735 0.643072 O\n",
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{
"id": "mp-1033291",
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"structure_string": "Mg6 B1 C1 O8\n1.0\n8.315246 -0.000000 0.000000\n0.000000 4.236209 0.000000\n0.000000 -0.000000 4.236209\nMg B C O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.243508 0.000000 0.500000 Mg\n0.756492 -0.000000 0.500000 Mg\n0.243508 0.500000 -0.000000 Mg\n0.756492 0.500000 0.000000 Mg\n-0.000000 0.000000 -0.000000 B\n0.500000 -0.000000 -0.000000 C\n0.171412 -0.000000 0.000000 O\n0.828588 0.000000 -0.000000 O\n0.253105 0.500000 0.500000 O\n0.746895 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Mg4 Sb4 O12\n1.0\n5.542728 0.000000 0.000000\n0.000000 5.469650 0.000000\n0.000000 5.401523 8.077809\nMg Sb O\n4 4 12\ndirect\n0.032799 0.234151 0.755205 Mg\n0.467201 0.234151 0.255205 Mg\n0.532799 0.765849 0.744795 Mg\n0.967201 0.765849 0.244795 Mg\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.604649 0.864823 0.272074 O\n0.895351 0.864823 0.772074 O\n0.104649 0.135177 0.227926 O\n0.395351 0.135177 0.727926 O\n0.346362 0.752510 0.565465 O\n0.187461 0.441199 0.416177 O\n0.846362 0.247490 0.934535 O\n0.687461 0.558801 0.083823 O\n0.312539 0.441199 0.916177 O\n0.153638 0.752510 0.065465 O\n0.653638 0.247490 0.434535 O\n0.812539 0.558801 0.583823 O\n",
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{
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"structure_string": "Cs6 H2 Se4 O16\n1.0\n3.250916 8.242050 0.000000\n-3.250916 8.242050 0.000000\n0.000000 2.307981 11.001396\nCs H Se O\n6 2 4 16\ndirect\n0.745886 0.254114 0.250000 Cs\n0.254114 0.745886 0.750000 Cs\n0.915670 0.466128 0.847839 Cs\n0.466128 0.915670 0.347839 Cs\n0.084330 0.533872 0.152161 Cs\n0.533872 0.084330 0.652161 Cs\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.329162 0.901703 0.034715 Se\n0.901703 0.329162 0.534715 Se\n0.670838 0.098297 0.965285 Se\n0.098297 0.670838 0.465285 Se\n0.171974 0.138659 0.098611 O\n0.138659 0.171974 0.598611 O\n0.828026 0.861341 0.901389 O\n0.861341 0.828026 0.401389 O\n0.172163 0.848242 0.050373 O\n0.848242 0.172163 0.550373 O\n0.827837 0.151758 0.949627 O\n0.151758 0.827837 0.449627 O\n0.383613 0.924457 0.885839 O\n0.924457 0.383613 0.385839 O\n0.616387 0.075543 0.114161 O\n0.075543 0.616387 0.614161 O\n0.558197 0.687574 0.105474 O\n0.687574 0.558197 0.605474 O\n0.441803 0.312426 0.894526 O\n0.312426 0.441803 0.394526 O\n",
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}