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{
"id": "jvasp-12368",
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"updated_at": "2022-09-04T14:38:35.235360Z",
"structure_string": "Fe1 Sn2 C6 N6\n1.0\n3.581836 -6.203920 0.000000\n3.581835 6.203920 0.000000\n0.000000 0.000000 5.284759\nFe Sn C N\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.666668 0.333334 0.585927 Sn\n0.333334 0.666668 0.414074 Sn\n0.827547 0.755199 0.197780 C\n0.927652 0.172454 0.197780 C\n0.244802 0.072349 0.197780 C\n0.755199 0.927653 0.802220 C\n0.172454 0.244802 0.802220 C\n0.072349 0.827547 0.802220 C\n0.887020 0.289259 0.311415 N\n0.710743 0.597762 0.311415 N\n0.402240 0.112981 0.311415 N\n0.112982 0.710743 0.688585 N\n0.597762 0.887020 0.688585 N\n0.289258 0.402240 0.688585 N\n",
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{
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"updated_at": "2022-09-04T14:38:54.508246Z",
"structure_string": "Mn1 Se2\n1.0\n1.764659 -3.054772 -0.053539\n1.763181 3.053919 -0.000000\n0.079490 -0.045894 5.714895\nMn Se\n1 2\ndirect\n-0.000000 0.333345 0.166667 Mn\n0.666685 0.666671 0.413863 Se\n0.333313 -0.000015 0.919469 Se\n",
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{
"id": "jvasp-123681",
"created_at": "2022-09-04T14:38:55.061637Z",
"updated_at": "2022-09-04T14:38:55.061662Z",
"structure_string": "Mo1 Se2\n1.0\n1.663114 -2.877397 -0.014764\n1.660343 2.875797 0.000000\n0.012976 -0.007492 6.574444\nMo Se\n1 2\ndirect\n-0.000000 0.333345 0.166667 Mo\n0.668243 0.667449 0.426760 Se\n0.331756 -0.000794 0.906573 Se\n",
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"elements": [
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"density": 6.706721622740802,
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"volume": 62.85402483647525,
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"formula_full": "Mo1 Se2",
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{
"id": "jvasp-123685",
"created_at": "2022-09-04T14:38:55.079691Z",
"updated_at": "2022-09-04T14:38:55.079726Z",
"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",
"nsites": 3,
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"elements": [
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"density": 5.282775906778543,
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"volume": 94.9788168750772,
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"spacegroup": 12
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{
"id": "jvasp-123686",
"created_at": "2022-09-04T14:38:55.266794Z",
"updated_at": "2022-09-04T14:38:55.266820Z",
"structure_string": "Ne1 Se2\n1.0\n2.554662 -3.584566 -0.522691\n1.826996 3.164447 -0.000000\n-0.573500 0.331110 5.769074\nNe Se\n1 2\ndirect\n0.000000 0.333704 0.166667 Ne\n0.716191 0.691243 0.576801 Se\n0.283809 -0.024948 0.756532 Se\n",
"nsites": 3,
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{
"id": "jvasp-123687",
"created_at": "2022-09-04T14:38:54.528649Z",
"updated_at": "2022-09-04T14:38:54.528677Z",
"structure_string": "Ni1 Se2\n1.0\n1.802576 -3.121064 -0.021120\n1.801634 3.120520 0.000000\n0.042466 -0.024517 4.911743\nNi Se\n1 2\ndirect\n-0.000000 0.333346 0.166667 Ni\n0.664586 0.665621 0.417751 Se\n0.335416 0.001035 0.915582 Se\n",
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"elements": [
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{
"id": "jvasp-123688",
"created_at": "2022-09-04T14:38:52.745697Z",
"updated_at": "2022-09-04T14:38:52.745721Z",
"structure_string": "Se2 O1\n1.0\n1.838572 -3.402694 0.029554\n2.027535 3.511792 0.000000\n0.034759 -0.020068 4.408377\nSe O\n2 1\ndirect\n0.746207 0.783059 0.473363 Se\n0.253792 0.036852 0.859971 Se\n-0.000000 0.180087 0.166667 O\n",
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"elements": [
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{
"id": "jvasp-123689",
"created_at": "2022-09-04T14:38:54.886842Z",
"updated_at": "2022-09-04T14:38:54.886870Z",
"structure_string": "Os1 Se2\n1.0\n2.184698 -3.102742 -0.108335\n1.594705 2.762109 -0.000000\n-0.143959 0.083115 5.572302\nOs Se\n1 2\ndirect\n-0.000000 0.333326 0.166667 Os\n0.626278 0.646475 0.422169 Se\n0.373722 0.020197 0.911163 Se\n",
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"formula_full": "Os1 Se2",
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"spacegroup": 12
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{
"id": "jvasp-12369",
"created_at": "2022-09-04T14:38:35.978164Z",
"updated_at": "2022-09-04T14:38:35.978185Z",
"structure_string": "Ba8 Pb4\n1.0\n5.743665 0.000000 0.000000\n0.000000 8.621486 0.000000\n0.000000 0.000000 10.724273\nBa Pb\n8 4\ndirect\n0.250000 0.518667 0.183979 Ba\n0.749999 0.481333 0.816020 Ba\n0.250000 0.018667 0.316020 Ba\n0.749999 0.981334 0.683979 Ba\n0.749999 0.839006 0.080315 Ba\n0.250000 0.160995 0.919685 Ba\n0.749999 0.339005 0.419685 Ba\n0.250000 0.660995 0.580314 Ba\n0.250000 0.745275 0.899581 Pb\n0.749999 0.254725 0.100419 Pb\n0.250000 0.245275 0.600419 Pb\n0.749999 0.754725 0.399581 Pb\n",
"nsites": 12,
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"elements": [
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"volume": 531.0544959566781,
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{
"id": "jvasp-123692",
"created_at": "2022-09-04T14:38:52.871000Z",
"updated_at": "2022-09-04T14:38:52.871016Z",
"structure_string": "Pb1 Se2\n1.0\n2.397684 -3.996667 -0.897470\n2.262376 3.918547 -0.000001\n-1.161625 0.670664 5.756253\nPb Se\n1 2\ndirect\n0.000000 0.333365 0.166667 Pb\n0.811598 0.739117 0.444196 Se\n0.188403 -0.072481 0.889137 Se\n",
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{
"id": "jvasp-123694",
"created_at": "2022-09-04T14:38:54.917041Z",
"updated_at": "2022-09-04T14:38:54.917064Z",
"structure_string": "Pm1 Se2\n1.0\n2.215073 -3.749966 -0.605931\n2.140031 3.706641 -0.000000\n-0.730409 0.421702 5.884425\nPm Se\n1 2\ndirect\n-0.000000 0.333306 0.166667 Pm\n0.769925 0.718308 0.432891 Se\n0.230074 -0.051617 0.900442 Se\n",
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{
"id": "jvasp-123696",
"created_at": "2022-09-04T14:38:52.952865Z",
"updated_at": "2022-09-04T14:38:52.952891Z",
"structure_string": "Pr1 Se2\n1.0\n2.257058 -3.821598 -0.602763\n2.181073 3.777728 -0.000000\n-0.726092 0.419209 5.863086\nPr Se\n1 2\ndirect\n-0.000000 0.333357 0.166667 Pr\n0.766020 0.716331 0.435376 Se\n0.233981 -0.049688 0.897959 Se\n",
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}