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{
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{
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{
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"structure_string": "Cr8 Te24\n1.0\n11.477800 0.000000 0.000000\n0.000000 8.193868 0.000000\n0.000000 5.410566 10.343550\nCr Te\n8 24\ndirect\n0.999620 0.002145 0.325611 Cr\n0.499620 0.997855 0.174389 Cr\n0.000380 0.997855 0.674389 Cr\n0.500380 0.002145 0.825611 Cr\n0.716238 0.021792 0.492739 Cr\n0.216238 0.978208 0.007261 Cr\n0.283762 0.978208 0.507261 Cr\n0.783762 0.021792 0.992739 Cr\n0.093530 0.208004 0.432883 Te\n0.593530 0.791996 0.067117 Te\n0.906470 0.791996 0.567117 Te\n0.406470 0.208004 0.932883 Te\n0.675531 0.252489 0.764712 Te\n0.175531 0.747511 0.735288 Te\n0.324469 0.747511 0.235288 Te\n0.824469 0.252489 0.264712 Te\n0.827776 0.252023 0.569513 Te\n0.327776 0.747977 0.930487 Te\n0.172224 0.747977 0.430487 Te\n0.672224 0.252023 0.069513 Te\n0.381727 0.200687 0.600227 Te\n0.881727 0.799313 0.899773 Te\n0.618273 0.799313 0.399773 Te\n0.118273 0.200687 0.100227 Te\n0.554032 0.297051 0.402643 Te\n0.054032 0.702949 0.097357 Te\n0.445968 0.702949 0.597357 Te\n0.945968 0.297051 0.902643 Te\n0.381702 0.197159 0.270101 Te\n0.881702 0.802841 0.229899 Te\n0.618298 0.802841 0.729899 Te\n0.118298 0.197159 0.770101 Te\n",
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{
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{
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{
"id": "mp-1199253",
"created_at": "2022-09-04T14:39:57.772475Z",
"structure_string": "V44 Ge32\n1.0\n0.000000 -4.993173 0.000000\n-13.368177 0.000000 0.000000\n0.000000 0.000000 -16.118124\nV Ge\n44 32\ndirect\n0.008596 0.136639 0.825360 V\n0.491404 0.636639 0.674640 V\n0.508596 0.863361 0.174640 V\n0.991404 0.363361 0.325360 V\n0.991404 0.863361 0.174640 V\n0.508596 0.363361 0.325360 V\n0.491404 0.136639 0.825360 V\n0.008596 0.636639 0.674640 V\n0.000852 0.440752 0.877783 V\n0.499148 0.940752 0.622217 V\n0.500852 0.559248 0.122217 V\n0.999148 0.059248 0.377783 V\n0.999148 0.559248 0.122217 V\n0.500852 0.059248 0.377783 V\n0.499148 0.440752 0.877783 V\n0.000852 0.940752 0.622217 V\n0.750000 0.435126 0.691119 V\n0.750000 0.935126 0.808881 V\n0.250000 0.564874 0.308881 V\n0.250000 0.064874 0.191119 V\n0.750000 0.129538 0.541867 V\n0.750000 0.629538 0.958133 V\n0.250000 0.870462 0.458133 V\n0.250000 0.370462 0.041867 V\n0.750000 0.362929 0.158408 V\n0.750000 0.862929 0.341592 V\n0.250000 0.637071 0.841592 V\n0.250000 0.137071 0.658408 V\n0.750000 0.248673 0.970027 V\n0.750000 0.748673 0.529973 V\n0.250000 0.751327 0.029973 V\n0.250000 0.251327 0.470027 V\n0.750000 0.039073 0.092659 V\n0.750000 0.539073 0.407341 V\n0.250000 0.960927 0.907341 V\n0.250000 0.460927 0.592659 V\n0.750000 0.381844 0.490862 V\n0.750000 0.881844 0.009138 V\n0.250000 0.618156 0.509138 V\n0.250000 0.118156 0.990862 V\n0.750000 0.194940 0.248291 V\n0.750000 0.694940 0.251709 V\n0.250000 0.805060 0.751709 V\n0.250000 0.305060 0.748291 V\n0.995778 0.288319 0.610491 Ge\n0.504222 0.788319 0.889509 Ge\n0.495778 0.711681 0.389509 Ge\n0.004222 0.211681 0.110491 Ge\n0.004222 0.711681 0.389509 Ge\n0.495778 0.211681 0.110491 Ge\n0.504222 0.288319 0.610491 Ge\n0.995778 0.788319 0.889509 Ge\n0.750000 0.296605 0.802501 Ge\n0.750000 0.796605 0.697499 Ge\n0.250000 0.703395 0.197499 Ge\n0.250000 0.203395 0.302501 Ge\n0.750000 0.086659 0.696154 Ge\n0.750000 0.586659 0.803846 Ge\n0.250000 0.913341 0.303846 Ge\n0.250000 0.413341 0.196154 Ge\n0.750000 0.443390 0.016108 Ge\n0.750000 0.943390 0.483892 Ge\n0.250000 0.556610 0.983892 Ge\n0.250000 0.056610 0.516108 Ge\n0.750000 0.051147 0.938816 Ge\n0.750000 0.551147 0.561184 Ge\n0.250000 0.948853 0.061184 Ge\n0.250000 0.448853 0.438816 Ge\n0.750000 0.224519 0.405953 Ge\n0.750000 0.724519 0.094047 Ge\n0.250000 0.775481 0.594047 Ge\n0.250000 0.275481 0.905953 Ge\n0.750000 0.008277 0.243873 Ge\n0.750000 0.508277 0.256127 Ge\n0.250000 0.991723 0.756127 Ge\n0.250000 0.491723 0.743873 Ge\n",
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{
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"structure_string": "Mg8 Si16\n1.0\n6.175843 0.000000 0.000000\n1.302049 7.211120 0.000000\n0.721055 0.031425 9.808981\nMg Si\n8 16\ndirect\n0.667691 0.044527 0.719431 Mg\n0.332309 0.955473 0.280569 Mg\n0.222755 0.590891 0.024955 Mg\n0.446275 0.355378 0.261379 Mg\n0.145545 0.027848 0.855835 Mg\n0.854455 0.972152 0.144165 Mg\n0.553725 0.644622 0.738621 Mg\n0.777245 0.409109 0.975045 Mg\n0.487539 0.347788 0.550185 Si\n0.117245 0.227917 0.105264 Si\n0.523075 0.830747 0.003685 Si\n0.733315 0.112702 0.413699 Si\n0.308181 0.363705 0.786968 Si\n0.829499 0.787790 0.488703 Si\n0.266685 0.887298 0.586301 Si\n0.972006 0.343609 0.323475 Si\n0.882755 0.772083 0.894736 Si\n0.170501 0.212210 0.511297 Si\n0.027994 0.656391 0.676525 Si\n0.691819 0.636295 0.213032 Si\n0.939102 0.329583 0.706082 Si\n0.476925 0.169253 0.996315 Si\n0.060898 0.670417 0.293918 Si\n0.512461 0.652212 0.449815 Si\n",
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{
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"density_atomic": 0.0299242613945846,
"volume": 133.6708013359314,
"volume_molar": 20.124609528674373,
"formula_full": "Nd1 Gd3",
"formula_reduced": "NdGd3",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:34:27.326000Z",
"spacegroup": 221
},
{
"id": "mp-836",
"created_at": "2022-09-04T14:39:58.308092Z",
"structure_string": "Tb1 Zn1\n1.0\n3.585476 0.000000 0.000000\n0.000000 3.585476 0.000000\n0.000000 0.000000 3.585476\nTb Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Tb-Zn",
"density": 8.08173146183886,
"density_atomic": 0.04338998861702032,
"volume": 46.09358203923272,
"volume_molar": 13.879101958643364,
"formula_full": "Tb1 Zn1",
"formula_reduced": "TbZn",
"formula_anonymous": "AB",
"energy": -6.5813081,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.777000Z",
"spacegroup": 221
}
]
}