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{
"id": "jvasp-38560",
"created_at": "2022-09-04T14:37:48.856411Z",
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{
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{
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"updated_at": "2022-09-04T14:38:34.505656Z",
"structure_string": "Er4 Te4 As4\n1.0\n4.057643 -0.000000 0.000000\n0.000000 7.496349 0.000000\n0.000000 -0.000000 9.854697\nEr Te As\n4 4 4\ndirect\n0.250000 0.733155 0.841863 Er\n0.749999 0.266845 0.158137 Er\n0.749999 0.766845 0.341863 Er\n0.250000 0.233155 0.658137 Er\n0.250000 0.582881 0.149018 Te\n0.749999 0.417119 0.850983 Te\n0.749999 0.917119 0.649018 Te\n0.250000 0.082881 0.350982 Te\n0.250000 0.599517 0.540338 As\n0.749999 0.400484 0.459662 As\n0.749999 0.900484 0.040338 As\n0.250000 0.099516 0.959662 As\n",
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"formula_full": "Er4 Te4 As4",
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{
"id": "jvasp-35034",
"created_at": "2022-09-04T14:37:27.479138Z",
"updated_at": "2022-09-04T14:37:27.479159Z",
"structure_string": "Pr2 Cu2 Pb2\n1.0\n2.333037 -4.040938 -0.000000\n2.333037 4.040938 0.000000\n0.000000 -0.000000 7.948907\nPr Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333334 0.666668 0.250000 Cu\n0.666668 0.333334 0.750000 Cu\n0.333334 0.666668 0.750000 Pb\n0.666668 0.333334 0.250000 Pb\n",
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{
"id": "jvasp-100984",
"created_at": "2022-09-04T14:36:31.381883Z",
"updated_at": "2022-09-04T14:36:31.381913Z",
"structure_string": "Ho2 Mg4\n1.0\n5.163631 -0.000000 2.981224\n1.721210 4.868318 2.981224\n-0.000000 -0.000000 5.962448\nHo Mg\n2 4\ndirect\n0.750000 0.750000 0.749999 Ho\n0.500000 0.500000 0.500000 Ho\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
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"elements": [
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{
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"created_at": "2022-09-04T14:37:02.298531Z",
"updated_at": "2022-09-04T14:37:02.298546Z",
"structure_string": "Na12 As4 Se12\n1.0\n8.876808 0.000000 -0.000000\n-0.000000 8.876808 -0.000000\n0.000000 0.000000 8.876808\nNa As Se\n12 4 12\ndirect\n0.823173 0.176828 0.676828 Na\n0.676828 0.823173 0.176828 Na\n0.176828 0.676828 0.823173 Na\n0.323173 0.323173 0.323173 Na\n0.186280 0.313720 0.686280 Na\n0.313720 0.686280 0.186280 Na\n0.686280 0.186280 0.313720 Na\n0.813721 0.813721 0.813721 Na\n0.417143 0.082858 0.917143 Na\n0.082858 0.917143 0.417143 Na\n0.917143 0.417143 0.082858 Na\n0.582858 0.582858 0.582858 Na\n0.530537 0.469463 0.969463 As\n0.969463 0.530537 0.469463 As\n0.469463 0.969463 0.530537 As\n0.030537 0.030537 0.030537 As\n0.269401 0.387273 0.000930 Se\n0.769401 0.112727 -0.000930 Se\n0.730599 0.887274 0.499071 Se\n0.112727 -0.000930 0.769401 Se\n0.499071 0.730599 0.887274 Se\n-0.000930 0.769401 0.112727 Se\n0.387273 0.000930 0.269401 Se\n0.000930 0.269401 0.387273 Se\n0.887274 0.499071 0.730599 Se\n0.612727 0.500930 0.230599 Se\n0.500930 0.230599 0.612727 Se\n0.230599 0.612727 0.500930 Se\n",
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"formula_full": "Na12 As4 Se12",
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{
"id": "jvasp-105228",
"created_at": "2022-09-04T14:36:54.826511Z",
"updated_at": "2022-09-04T14:36:54.826530Z",
"structure_string": "Pa3 Cd1\n1.0\n4.640443 0.000000 0.000000\n0.000000 4.640443 0.000000\n-0.000000 0.000000 4.640443\nPa Cd\n3 1\ndirect\n0.500000 0.500000 -0.000000 Pa\n0.500000 0.000000 0.500000 Pa\n-0.000000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Cd\n",
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},
{
"id": "jvasp-23566",
"created_at": "2022-09-04T14:37:35.881642Z",
"updated_at": "2022-09-04T14:37:35.881668Z",
"structure_string": "Pr4 Mg2 Ge4\n1.0\n7.513021 0.000000 0.000000\n-0.000000 7.513021 -0.000000\n0.000000 -0.000000 4.425843\nPr Mg Ge\n4 2 4\ndirect\n0.321066 0.821065 0.500000 Pr\n0.821065 0.678934 0.500000 Pr\n0.178934 0.321066 0.500000 Pr\n0.678934 0.178934 0.500000 Pr\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.121024 0.621023 0.000000 Ge\n0.621023 0.878976 0.000000 Ge\n0.878976 0.378976 0.000000 Ge\n0.378976 0.121024 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:36:56.374640Z",
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"structure_string": "Ba1 Pd1 S2\n1.0\n4.836115 -0.000000 0.000000\n0.000000 4.836115 0.000000\n0.000000 0.000000 4.272679\nBa Pd S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.500000 -0.000000 S\n0.500000 0.000000 -0.000000 S\n",
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{
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"created_at": "2022-09-04T14:38:10.270918Z",
"updated_at": "2022-09-04T14:38:10.270949Z",
"structure_string": "Sc2 Hg1 Pt1\n1.0\n-12.033669 -0.000000 -6.947642\n-7.338245 -0.455266 -1.185071\n-6.242690 2.643430 -3.082628\nSc Hg Pt\n2 1 1\ndirect\n0.818142 0.000001 0.000000 Sc\n0.181858 0.000000 0.000000 Sc\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Na12 As4 Se12\n1.0\n8.877043 0.000000 -0.000000\n0.000000 8.877043 -0.000000\n0.000000 -0.000000 8.877043\nNa As Se\n12 4 12\ndirect\n0.823205 0.176794 0.676794 Na\n0.676794 0.823205 0.176794 Na\n0.176794 0.676794 0.823205 Na\n0.323206 0.323206 0.323206 Na\n0.186286 0.313714 0.686286 Na\n0.313714 0.686286 0.186286 Na\n0.686286 0.186286 0.313714 Na\n0.813714 0.813714 0.813714 Na\n0.417124 0.082876 0.917124 Na\n0.082876 0.917124 0.417124 Na\n0.917124 0.417124 0.082876 Na\n0.582876 0.582876 0.582876 Na\n0.530523 0.469476 0.969476 As\n0.969476 0.530523 0.469476 As\n0.469476 0.969476 0.530523 As\n0.030523 0.030523 0.030523 As\n0.269379 0.387280 0.000946 Se\n0.769379 0.112720 -0.000946 Se\n0.730620 0.887280 0.499054 Se\n0.112720 -0.000946 0.769379 Se\n0.499054 0.730620 0.887280 Se\n-0.000946 0.769379 0.112720 Se\n0.387280 0.000946 0.269379 Se\n0.000946 0.269379 0.387280 Se\n0.887280 0.499054 0.730620 Se\n0.612720 0.500946 0.230621 Se\n0.500946 0.230621 0.612720 Se\n0.230621 0.612720 0.500946 Se\n",
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{
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"structure_string": "K4 Ag8 Se6\n1.0\n4.421413 0.000000 0.000000\n-2.210707 8.564673 -2.806208\n0.000000 0.003600 11.874231\nK Ag Se\n4 8 6\ndirect\n0.815432 0.630867 0.657779 K\n0.184566 0.369133 0.342221 K\n0.336612 0.673224 0.163339 K\n0.663387 0.326776 0.836661 K\n0.988589 0.977181 0.120966 Ag\n0.978835 0.957672 0.370200 Ag\n0.414521 0.829043 0.919809 Ag\n0.409920 0.819842 0.482396 Ag\n0.021164 0.042328 0.629799 Ag\n0.011409 0.022819 0.879035 Ag\n0.590078 0.180158 0.517604 Ag\n0.585477 0.170956 0.080191 Ag\n0.534046 0.068093 0.277161 Se\n0.850395 0.700792 0.959190 Se\n0.166837 0.333675 0.618980 Se\n0.465952 0.931907 0.722839 Se\n0.833161 0.666325 0.381020 Se\n0.149603 0.299208 0.040810 Se\n",
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"volume": 449.69753014525276,
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}
]
}