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{
"id": "jvasp-16222",
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"structure_string": "Nd4 Si4\n1.0\n3.959994 0.000000 0.000000\n-0.000000 5.933520 0.000000\n0.000000 0.000000 8.276506\nNd Si\n4 4\ndirect\n0.250000 0.386346 0.679419 Nd\n0.749999 0.613654 0.320582 Nd\n0.749999 0.886346 0.820582 Nd\n0.250000 0.113654 0.179418 Nd\n0.250000 0.876424 0.535848 Si\n0.749999 0.123576 0.464152 Si\n0.749999 0.376424 0.964153 Si\n0.250000 0.623576 0.035848 Si\n",
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{
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"structure_string": "Nd2 Si4\n1.0\n4.769843 0.000000 2.753870\n1.589948 4.497051 2.753870\n-0.000000 -0.000000 5.507740\nNd Si\n2 4\ndirect\n0.125000 0.125000 0.125000 Nd\n0.875000 0.875000 0.875000 Nd\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
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{
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"volume": 272.54303832207336,
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"formula_full": "Yb2 Nd2 Se6",
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{
"id": "jvasp-79800",
"created_at": "2022-09-04T14:36:52.086503Z",
"updated_at": "2022-09-04T14:36:52.086526Z",
"structure_string": "Nd1 Tl1 Se2\n1.0\n4.142734 -0.005797 6.939860\n1.909421 3.676463 6.939860\n-0.009558 -0.005797 8.082314\nNd Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500001 Tl\n0.737603 0.737601 0.737605 Se\n0.262397 0.262396 0.262397 Se\n",
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},
{
"id": "jvasp-31210",
"created_at": "2022-09-04T14:37:36.154256Z",
"updated_at": "2022-09-04T14:37:36.154280Z",
"structure_string": "Sr2 Nd4 Se8\n1.0\n7.822247 0.002928 -0.005071\n-2.604656 7.375861 0.005071\n-2.612936 -3.686466 6.385148\nSr Nd Se\n2 4 8\ndirect\n0.124999 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.626843 0.376844 Nd\n0.750000 0.873157 0.123157 Nd\n0.623157 0.373157 0.250000 Nd\n0.876844 0.126843 0.750000 Nd\n0.143968 0.152483 0.144726 Se\n0.356031 0.500758 0.008515 Se\n0.644726 0.652482 0.643969 Se\n0.508515 0.000758 0.856032 Se\n0.507757 0.999242 0.355274 Se\n0.991485 0.847518 0.492243 Se\n0.855274 0.499242 0.007757 Se\n0.992243 0.347518 0.491485 Se\n",
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"elements": [
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{
"id": "jvasp-56587",
"created_at": "2022-09-04T14:37:07.272951Z",
"updated_at": "2022-09-04T14:37:07.272965Z",
"structure_string": "Nd4 Se8\n1.0\n0.000000 8.415276 -0.008081\n4.191444 0.000000 0.000000\n0.000000 -0.021908 -8.532212\nNd Se\n4 8\ndirect\n0.626301 0.275029 0.274759 Nd\n0.373700 0.724970 0.725240 Nd\n0.126300 0.224970 0.274759 Nd\n0.873700 0.775029 0.725240 Nd\n0.380714 0.189594 0.998344 Se\n0.874869 0.755495 0.368017 Se\n0.125131 0.244504 0.631982 Se\n0.625131 0.255496 0.631982 Se\n0.119286 0.689593 0.001655 Se\n0.374869 0.744503 0.368017 Se\n0.619286 0.810406 0.001655 Se\n0.880714 0.310406 0.998344 Se\n",
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"formula_full": "Nd4 Se8",
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"spacegroup": 14
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{
"id": "jvasp-19718",
"created_at": "2022-09-04T14:38:32.234097Z",
"updated_at": "2022-09-04T14:38:32.234122Z",
"structure_string": "Nd1 Se1\n1.0\n3.660322 0.000000 2.113288\n1.220107 3.450985 2.113288\n0.000000 0.000000 4.226577\nNd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500001 Se\n",
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"density": 6.942182558521693,
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"volume": 53.38892165667542,
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{
"id": "jvasp-87867",
"created_at": "2022-09-04T14:35:48.719135Z",
"updated_at": "2022-09-04T14:35:48.719154Z",
"structure_string": "Nd20 Se38\n1.0\n9.321589 0.000000 -0.000000\n-0.000000 9.321589 -0.000000\n0.000000 0.000000 17.009159\nNd Se\n20 38\ndirect\n0.956667 0.847446 0.380512 Nd\n0.250000 0.750000 0.116421 Nd\n0.250000 0.750000 0.616421 Nd\n0.750000 0.250000 0.883579 Nd\n0.750000 0.250000 0.383579 Nd\n0.352232 0.053491 0.393884 Nd\n0.147768 0.446509 0.393884 Nd\n0.946510 0.852232 0.893884 Nd\n0.446509 0.352232 0.106116 Nd\n0.553491 0.647768 0.893884 Nd\n0.852232 0.553491 0.606116 Nd\n0.647768 0.946510 0.606116 Nd\n0.347446 0.043333 0.880513 Nd\n0.543333 0.652554 0.380512 Nd\n0.043333 0.152554 0.619488 Nd\n0.152554 0.456667 0.880513 Nd\n0.652554 0.956667 0.119488 Nd\n0.456667 0.347446 0.619488 Nd\n0.053491 0.147768 0.106116 Nd\n0.847446 0.543333 0.119488 Nd\n0.673394 0.471314 0.750027 Se\n0.750000 0.750000 0.250000 Se\n0.471314 0.826606 0.749973 Se\n0.173394 0.971314 0.249973 Se\n0.326606 0.528687 0.249973 Se\n0.028687 0.673394 0.749973 Se\n0.528687 0.173394 0.250027 Se\n0.826606 0.028687 0.750027 Se\n0.250000 0.250000 0.750000 Se\n0.750000 0.250000 0.064427 Se\n0.435018 0.878973 0.250646 Se\n0.750000 0.250000 0.564427 Se\n0.250000 0.750000 0.935573 Se\n0.250000 0.750000 0.435573 Se\n0.850663 0.552212 0.936753 Se\n0.447788 0.350663 0.436753 Se\n0.052212 0.149337 0.436753 Se\n0.649337 0.947788 0.936753 Se\n0.149337 0.447788 0.063247 Se\n0.552212 0.649337 0.563247 Se\n0.947788 0.850663 0.563247 Se\n0.350663 0.052212 0.063247 Se\n0.451029 0.347695 0.928995 Se\n0.652305 0.951029 0.428995 Se\n0.847695 0.548972 0.428995 Se\n0.048971 0.152305 0.928995 Se\n0.548972 0.652305 0.071005 Se\n0.347695 0.048971 0.571005 Se\n0.152305 0.451029 0.571005 Se\n0.951029 0.847695 0.071005 Se\n0.878973 0.064982 0.249354 Se\n0.935018 0.378973 0.749354 Se\n0.564982 0.121027 0.749354 Se\n0.621027 0.435018 0.249354 Se\n0.121027 0.935018 0.750646 Se\n0.064982 0.621027 0.250646 Se\n0.378973 0.564982 0.750646 Se\n0.971314 0.326606 0.250027 Se\n",
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{
"id": "jvasp-35011",
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"updated_at": "2022-09-04T14:37:32.754871Z",
"structure_string": "Nd2 Se4\n1.0\n4.172355 -0.000000 0.000000\n-0.000000 4.172355 0.000000\n-0.000000 -0.000000 8.560918\nNd Se\n2 4\ndirect\n0.500001 0.000000 0.726033 Nd\n0.000000 0.500001 0.273967 Nd\n0.500001 0.500001 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.500001 0.000000 0.367712 Se\n0.000000 0.500001 0.632288 Se\n",
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},
{
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"created_at": "2022-09-04T14:36:30.947668Z",
"updated_at": "2022-09-04T14:36:30.947695Z",
"structure_string": "Nd6 Se8\n1.0\n7.296139 0.000000 -2.579575\n-3.648070 6.318642 -2.579575\n0.000000 0.000000 7.738724\nNd Se\n6 8\ndirect\n0.125000 0.750000 0.874999 Nd\n0.625000 0.375000 0.249999 Nd\n0.375000 0.250000 0.624999 Nd\n0.750000 0.875000 0.124999 Nd\n0.250000 0.625000 0.374999 Nd\n0.875000 0.125000 0.749999 Nd\n0.649008 0.649008 0.649007 Se\n-0.000000 0.850992 0.499999 Se\n0.850992 0.500000 -0.000001 Se\n-0.000000 0.350992 0.499999 Se\n0.500000 -0.000000 0.850991 Se\n0.500000 -0.000000 0.350992 Se\n0.350992 0.500000 -0.000001 Se\n0.149008 0.149008 0.149007 Se\n",
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{
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"structure_string": "Nd1 Se2\n1.0\n2.235777 -3.785582 -0.603521\n2.160524 3.742135 -0.000000\n-0.727405 0.419967 5.872878\nNd Se\n1 2\ndirect\n-0.000000 0.333310 0.166667 Nd\n0.767861 0.717275 0.434174 Se\n0.232138 -0.050586 0.899160 Se\n",
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{
"id": "jvasp-76204",
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}
]
}