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{
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"results": [
{
"id": "mp-777803",
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"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n8.336526 0.000000 0.000000\n0.000000 7.068884 0.000000\n0.000000 3.120327 9.186771\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.858868 0.668956 0.914706 Li\n0.357591 0.326922 0.590619 Li\n0.857591 0.673078 0.409381 Li\n0.358868 0.331044 0.085294 Li\n0.500669 0.730687 0.891934 Mn\n0.000669 0.269313 0.108066 Mn\n0.998117 0.273449 0.605171 V\n0.498117 0.726551 0.394829 V\n0.178627 0.517988 0.800947 P\n0.789183 0.088820 0.894727 P\n0.282854 0.911759 0.609607 P\n0.679643 0.477033 0.700964 P\n0.179643 0.522967 0.299036 P\n0.782854 0.088241 0.390393 P\n0.289183 0.911180 0.105273 P\n0.678627 0.482012 0.199053 P\n0.329535 0.852063 0.970681 O\n0.706806 0.888169 0.932837 O\n0.035664 0.478694 0.907356 O\n0.340467 0.495725 0.875614 O\n0.676836 0.608455 0.800296 O\n0.433096 0.913291 0.702106 O\n0.153745 0.750202 0.704277 O\n0.655669 0.247894 0.801443 O\n0.937707 0.095273 0.799419 O\n0.171546 0.398621 0.693533 O\n0.840186 0.492908 0.621786 O\n0.537466 0.514629 0.594834 O\n0.326092 0.851905 0.476762 O\n0.695211 0.888965 0.430981 O\n0.195211 0.111035 0.569019 O\n0.826092 0.148095 0.523238 O\n0.037466 0.485371 0.405166 O\n0.340186 0.507092 0.378214 O\n0.671546 0.601379 0.306467 O\n0.437707 0.904727 0.200581 O\n0.155669 0.752106 0.198557 O\n0.653745 0.249798 0.295723 O\n0.933096 0.086709 0.297894 O\n0.176836 0.391545 0.199704 O\n0.840467 0.504275 0.124386 O\n0.535664 0.521306 0.092644 O\n0.206806 0.111831 0.067163 O\n0.829535 0.147937 0.029319 O\n",
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"formula_full": "Li4 Mn2 V2 P8 O28",
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{
"id": "mp-1196645",
"created_at": "2022-09-04T14:45:29.312813Z",
"structure_string": "Cd8 S4 O24\n1.0\n7.400388 0.000000 0.000000\n0.000000 7.017503 0.000000\n0.000000 5.872014 10.255639\nCd S O\n8 4 24\ndirect\n0.027762 0.154836 0.823925 Cd\n0.472238 0.154836 0.323925 Cd\n0.972238 0.845164 0.176075 Cd\n0.527762 0.845164 0.676075 Cd\n0.165062 0.316942 0.495822 Cd\n0.334938 0.316942 0.995822 Cd\n0.834938 0.683058 0.504178 Cd\n0.665062 0.683058 0.004178 Cd\n0.503094 0.693160 0.279721 S\n0.996906 0.693160 0.779721 S\n0.496906 0.306840 0.720279 S\n0.003094 0.306840 0.220279 S\n0.439800 0.460827 0.362651 O\n0.060200 0.460827 0.862651 O\n0.560200 0.539173 0.637349 O\n0.939800 0.539173 0.137349 O\n0.483576 0.762662 0.139582 O\n0.016424 0.762662 0.639582 O\n0.516424 0.237338 0.860418 O\n0.983576 0.237338 0.360418 O\n0.698595 0.706134 0.310141 O\n0.801405 0.706134 0.810141 O\n0.301405 0.293866 0.689859 O\n0.198595 0.293866 0.189859 O\n0.392462 0.836718 0.312158 O\n0.107538 0.836718 0.812158 O\n0.607538 0.163282 0.687842 O\n0.892462 0.163282 0.187842 O\n0.172156 0.034705 0.018024 O\n0.327844 0.034705 0.518024 O\n0.827844 0.965295 0.981976 O\n0.672156 0.965295 0.481976 O\n0.937055 0.335841 0.618762 O\n0.562945 0.335841 0.118762 O\n0.062945 0.664159 0.381238 O\n0.437055 0.664159 0.881238 O\n",
"nsites": 36,
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"volume": 532.5983570889362,
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"formula_full": "Cd8 S4 O24",
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"spacegroup": 14
},
{
"id": "mp-7670",
"created_at": "2022-09-04T14:45:29.321320Z",
"structure_string": "K4 Se6\n1.0\n3.842310 -5.373457 0.000000\n3.842310 5.373457 0.000000\n0.000000 0.000000 7.752184\nK Se\n4 6\ndirect\n0.098474 0.901526 0.371068 K\n0.901526 0.098474 0.871068 K\n0.588138 0.411862 0.649752 K\n0.411862 0.588138 0.149752 K\n0.792762 0.207238 0.317841 Se\n0.207238 0.792762 0.817841 Se\n0.088466 0.407710 0.499569 Se\n0.911534 0.592290 0.999569 Se\n0.592290 0.911534 0.499569 Se\n0.407710 0.088466 0.999569 Se\n",
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"formula_full": "K4 Se6",
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"formula_anonymous": "A2B3",
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},
{
"id": "mp-1097390",
"created_at": "2022-09-04T14:45:29.326894Z",
"structure_string": "Hf2 Co1 Ru1\n1.0\n-4.445448 5.506053 7.785509\n4.445448 -5.506053 7.785509\n4.445448 5.506053 -7.785509\nHf Co Ru\n2 1 1\ndirect\n0.000000 0.247381 0.247381 Hf\n0.000000 0.752619 0.752619 Hf\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ru\n",
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"volume": 762.2596382326043,
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"formula_full": "Hf2 Co1 Ru1",
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"spacegroup": 71
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{
"id": "mp-1222657",
"created_at": "2022-09-04T14:45:29.340664Z",
"structure_string": "Li2 Ge1 Pd1\n1.0\n0.000000 3.041107 3.041107\n3.041107 0.000000 3.041107\n3.041107 3.041107 0.000000\nLi Ge Pd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Pd\n",
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{
"id": "mp-1214414",
"created_at": "2022-09-04T14:45:29.347758Z",
"structure_string": "Ba4 P8 Pd4 O28\n1.0\n6.271060 0.000000 0.000000\n0.000000 7.613880 0.000000\n0.000000 0.000000 14.019339\nBa P Pd O\n4 8 4 28\ndirect\n0.250000 0.746901 0.239160 Ba\n0.750000 0.253099 0.760840 Ba\n0.750000 0.246901 0.260840 Ba\n0.250000 0.753099 0.739160 Ba\n0.250000 0.277815 0.118717 P\n0.750000 0.722185 0.881283 P\n0.750000 0.777815 0.381283 P\n0.250000 0.222185 0.618717 P\n0.250000 0.182543 0.415206 P\n0.750000 0.817457 0.584794 P\n0.750000 0.682543 0.084794 P\n0.250000 0.317457 0.915206 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.250000 0.036549 0.343535 O\n0.750000 0.963451 0.656465 O\n0.750000 0.536549 0.156465 O\n0.250000 0.463451 0.843535 O\n0.250000 0.398952 0.023091 O\n0.750000 0.601048 0.976909 O\n0.750000 0.898952 0.476909 O\n0.250000 0.101048 0.523091 O\n0.250000 0.397317 0.204343 O\n0.750000 0.602683 0.795657 O\n0.750000 0.897317 0.295657 O\n0.250000 0.102683 0.704343 O\n0.042813 0.294595 0.408029 O\n0.957187 0.705405 0.591971 O\n0.957187 0.794595 0.091971 O\n0.542813 0.705405 0.591971 O\n0.042813 0.205405 0.908029 O\n0.457187 0.294595 0.408029 O\n0.457187 0.205405 0.908029 O\n0.542813 0.794595 0.091971 O\n0.044767 0.162440 0.115695 O\n0.955233 0.837560 0.884305 O\n0.955233 0.662440 0.384305 O\n0.544767 0.837560 0.884305 O\n0.044767 0.337560 0.615695 O\n0.455233 0.162440 0.115695 O\n0.455233 0.337560 0.615695 O\n0.544767 0.662440 0.384305 O\n",
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{
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"structure_string": "Tl16 Sn4 S12\n1.0\n8.144440 0.000000 0.000000\n0.000000 8.144440 0.000000\n0.000000 0.000000 14.511395\nTl Sn S\n16 4 12\ndirect\n0.140335 0.159526 0.609238 Tl\n0.859665 0.840474 0.609238 Tl\n0.159526 0.140335 0.890762 Tl\n0.659526 0.359665 0.609238 Tl\n0.340474 0.640335 0.609238 Tl\n0.359665 0.659526 0.890762 Tl\n0.640335 0.340474 0.890762 Tl\n0.840474 0.859665 0.890762 Tl\n0.359665 0.340474 0.390762 Tl\n0.640335 0.659526 0.390762 Tl\n0.340474 0.359665 0.109238 Tl\n0.840474 0.140335 0.390762 Tl\n0.159526 0.859665 0.390762 Tl\n0.140335 0.840474 0.109238 Tl\n0.859665 0.159526 0.109238 Tl\n0.659526 0.640335 0.109238 Tl\n0.500000 0.000000 0.740046 Sn\n0.000000 0.500000 0.759954 Sn\n0.000000 0.500000 0.259954 Sn\n0.500000 0.000000 0.240046 Sn\n0.170276 0.829724 0.750000 S\n0.670276 0.670276 0.750000 S\n0.329724 0.329724 0.750000 S\n0.829724 0.170276 0.750000 S\n0.329724 0.670276 0.250000 S\n0.829724 0.829724 0.250000 S\n0.170276 0.170276 0.250000 S\n0.500000 0.000000 0.414703 S\n0.670276 0.329724 0.250000 S\n0.000000 0.500000 0.585297 S\n0.000000 0.500000 0.085297 S\n0.500000 0.000000 0.914703 S\n",
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{
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"created_at": "2022-09-04T14:45:30.150136Z",
"structure_string": "Li8 V4 Si4 O20\n1.0\n0.000034 -0.000060 4.540332\n6.425269 6.425271 -0.000037\n-6.424749 6.424751 -0.000134\nLi V Si O\n8 4 4 20\ndirect\n0.499961 0.000008 0.000020 Li\n0.500013 0.499982 0.499990 Li\n0.499986 0.499989 0.000019 Li\n0.500018 0.999994 0.499989 Li\n0.499947 0.250001 0.750068 Li\n0.500063 0.749994 0.249946 Li\n0.499911 0.250002 0.249940 Li\n0.500058 0.749992 0.750064 Li\n0.083675 0.750004 0.500127 V\n0.916629 0.249983 0.499948 V\n0.083207 0.250014 0.999945 V\n0.916640 0.750003 0.000032 V\n0.999941 0.499999 0.749979 Si\n0.000037 0.999993 0.250011 Si\n0.000034 0.500009 0.250017 Si\n0.999940 0.000002 0.749985 Si\n0.712836 0.250022 0.999976 O\n0.713313 0.750001 0.500062 O\n0.287078 0.750007 0.999932 O\n0.286866 0.249995 0.499995 O\n0.216766 0.602770 0.352774 O\n0.216593 0.102800 0.852737 O\n0.216581 0.397199 0.147210 O\n0.216849 0.897277 0.647304 O\n0.783212 0.397245 0.352741 O\n0.783332 0.897198 0.852755 O\n0.783372 0.602793 0.147234 O\n0.783214 0.102770 0.647238 O\n0.783236 0.397211 0.647236 O\n0.783373 0.897210 0.147228 O\n0.783330 0.602807 0.852748 O\n0.783194 0.102736 0.352738 O\n0.216849 0.602727 0.647298 O\n0.216567 0.102816 0.147209 O\n0.216608 0.397211 0.852738 O\n0.216771 0.897234 0.352767 O\n",
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{
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"structure_string": "Yb4 Ge4 Rh4\n1.0\n4.398867 0.000000 0.000000\n0.000000 7.101700 0.000000\n0.000000 0.000000 7.202378\nYb Ge Rh\n4 4 4\ndirect\n0.750000 0.187106 0.508807 Yb\n0.250000 0.812894 0.491193 Yb\n0.750000 0.312894 0.008807 Yb\n0.250000 0.687106 0.991193 Yb\n0.750000 0.892753 0.200094 Ge\n0.250000 0.107247 0.799906 Ge\n0.750000 0.607247 0.700094 Ge\n0.250000 0.392753 0.299906 Ge\n0.250000 0.069523 0.146665 Rh\n0.750000 0.930477 0.853335 Rh\n0.250000 0.430477 0.646665 Rh\n0.750000 0.569523 0.353335 Rh\n",
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{
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{
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}