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{
"id": "jvasp-76787",
"created_at": "2022-09-04T14:37:12.585313Z",
"updated_at": "2022-09-04T14:37:12.585333Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n-6.481900 6.631795 -9.157163\n-4.437784 2.777107 -1.061201\n-4.219834 6.931617 -4.327510\nCa Cd Hg\n2 1 1\ndirect\n0.749852 -0.000363 0.000362 Ca\n0.250148 0.000364 -0.000364 Ca\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000001 -0.000001 Hg\n",
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{
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{
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{
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"updated_at": "2022-09-04T14:38:27.737784Z",
"structure_string": "Dy12 Pt4\n1.0\n6.451906 -0.000000 0.000000\n-0.000000 6.993821 0.000000\n0.000000 0.000000 9.479591\nDy Pt\n12 4\ndirect\n0.322161 0.682246 0.058697 Dy\n0.177839 0.182246 0.441303 Dy\n0.677840 0.317754 0.558697 Dy\n0.822161 0.817754 0.941303 Dy\n0.677840 0.317754 0.941303 Dy\n0.822161 0.817754 0.558697 Dy\n0.322161 0.682246 0.441303 Dy\n0.177839 0.182246 0.058697 Dy\n0.871299 0.522843 0.250000 Dy\n0.628701 0.022843 0.250000 Dy\n0.128701 0.477157 0.750000 Dy\n0.371299 0.977157 0.750000 Dy\n0.051678 0.888610 0.250000 Pt\n0.448322 0.388610 0.250000 Pt\n0.948322 0.111390 0.750000 Pt\n0.551679 0.611390 0.750000 Pt\n",
"nsites": 16,
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"elements": [
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{
"id": "jvasp-37647",
"created_at": "2022-09-04T14:38:04.506511Z",
"updated_at": "2022-09-04T14:38:04.506541Z",
"structure_string": "Hg3 Bi1\n1.0\n4.746581 0.000000 0.000000\n0.000000 4.746581 0.000000\n0.000000 -0.000000 4.746581\nHg Bi\n3 1\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "jvasp-78689",
"created_at": "2022-09-04T14:37:09.732250Z",
"updated_at": "2022-09-04T14:37:09.732270Z",
"structure_string": "Ce1 Bi1 Pd1\n1.0\n4.191950 -0.000238 2.420105\n1.397058 3.952433 2.420165\n-0.000277 -0.000124 4.840692\nCe Bi Pd\n1 1 1\ndirect\n0.500001 0.500009 0.500008 Ce\n-0.000001 0.999991 -0.000009 Bi\n0.250000 0.250000 0.249998 Pd\n",
"nsites": 3,
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{
"id": "jvasp-89614",
"created_at": "2022-09-04T14:36:04.873737Z",
"updated_at": "2022-09-04T14:36:04.873764Z",
"structure_string": "Na4 Hg4 Cl12\n1.0\n4.113188 0.000000 0.000000\n-0.000000 8.351051 0.000000\n0.000000 0.000000 15.567650\nNa Hg Cl\n4 4 12\ndirect\n0.250000 0.628671 0.097562 Na\n0.750000 0.871329 0.597562 Na\n0.750000 0.371329 0.902438 Na\n0.250000 0.128671 0.402438 Na\n0.250000 0.656635 0.405996 Hg\n0.750000 0.843365 0.905996 Hg\n0.750000 0.343365 0.594004 Hg\n0.250000 0.156635 0.094004 Hg\n0.750000 0.391554 0.085647 Cl\n0.750000 0.349420 0.436481 Cl\n0.250000 0.108446 0.585647 Cl\n0.750000 0.891554 0.414353 Cl\n0.250000 0.650580 0.563519 Cl\n0.750000 0.458481 0.732617 Cl\n0.250000 0.541519 0.267383 Cl\n0.250000 0.608446 0.914353 Cl\n0.750000 0.849419 0.063519 Cl\n0.750000 -0.041519 0.767383 Cl\n0.250000 0.150580 0.936481 Cl\n0.250000 0.041519 0.232617 Cl\n",
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"volume": 534.7401025918678,
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"formula_full": "Na4 Hg4 Cl12",
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"formula_anonymous": "ABC3",
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"spacegroup": 62
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{
"id": "jvasp-10882",
"created_at": "2022-09-04T14:37:10.192349Z",
"updated_at": "2022-09-04T14:37:10.192366Z",
"structure_string": "Rb2 Ta2 Cu4 Se8\n1.0\n5.492417 0.000000 -1.632860\n-0.000000 7.752893 0.000000\n-0.001897 -0.000000 10.047416\nRb Ta Cu Se\n2 2 4 8\ndirect\n0.481915 0.250000 0.365657 Rb\n0.116258 0.750000 0.634343 Rb\n0.435987 0.250000 0.782833 Ta\n0.653154 0.750000 0.217168 Ta\n0.562491 0.500000 0.000000 Cu\n0.562491 0.000000 0.000000 Cu\n0.151244 0.750000 0.214111 Cu\n0.937134 0.250000 0.785889 Cu\n0.087129 0.250000 0.579315 Se\n0.299874 0.750000 0.006795 Se\n0.899114 0.006816 0.215753 Se\n0.683361 0.993184 0.784247 Se\n0.899114 0.493184 0.215753 Se\n0.683361 0.506816 0.784247 Se\n0.293079 0.250000 0.993205 Se\n0.507815 0.750000 0.420686 Se\n",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-13762",
"created_at": "2022-09-04T14:38:06.788530Z",
"updated_at": "2022-09-04T14:38:06.788547Z",
"structure_string": "Pb2 S2\n1.0\n4.245356 0.012034 -0.000000\n-0.012048 4.245357 -0.000000\n-0.000000 0.000000 5.934369\nPb S\n2 2\ndirect\n0.260559 0.760560 0.750057 Pb\n0.760560 0.260559 0.249943 Pb\n0.760441 0.260440 0.749962 S\n0.260441 0.760441 0.250038 S\n",
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{
"id": "jvasp-119506",
"created_at": "2022-09-04T14:38:51.487459Z",
"updated_at": "2022-09-04T14:38:51.487485Z",
"structure_string": "Ca8 Yb3 Se12\n1.0\n5.889571 0.000000 0.000000\n0.000000 5.889571 0.000000\n-0.000000 -0.000000 17.730016\nYb Ca Se\n3 8 12\ndirect\n-0.000000 0.500000 0.164703 Yb\n0.500000 0.500000 -0.000000 Yb\n0.500000 -0.000000 0.835297 Yb\n0.000000 0.000000 0.331701 Ca\n-0.000000 0.500000 0.499890 Ca\n0.000000 0.000000 0.668299 Ca\n-0.000000 0.500000 0.836238 Ca\n0.500000 -0.000000 0.163762 Ca\n0.500000 0.500000 0.332233 Ca\n0.500000 -0.000000 0.500111 Ca\n0.500000 0.500000 0.667767 Ca\n-0.000000 0.500000 0.666880 Se\n0.500000 -0.000000 0.999046 Se\n0.500000 0.500000 0.833840 Se\n0.000000 0.000000 0.500000 Se\n-0.000000 0.500000 0.332566 Se\n0.500000 0.500000 0.166160 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.165990 Se\n0.500000 -0.000000 0.333120 Se\n0.000000 0.000000 0.834011 Se\n0.500000 -0.000000 0.667434 Se\n-0.000000 0.500000 0.000954 Se\n",
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{
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"created_at": "2022-09-04T14:36:44.193319Z",
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"structure_string": "Pb2 S2\n1.0\n3.001894 3.001943 -0.017179\n3.001894 -3.001943 -0.017179\n-0.033560 -0.000000 -5.934281\nPb S\n2 2\ndirect\n0.249849 0.249849 0.750002 Pb\n0.750150 0.750150 0.249999 Pb\n0.749891 0.749891 0.749983 S\n0.250108 0.250108 0.250017 S\n",
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{
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"updated_at": "2022-09-04T14:37:36.422411Z",
"structure_string": "Pm2 Sn1 Au1\n1.0\n0.000000 3.767593 3.767593\n3.767593 0.000000 3.767593\n3.767593 3.767593 0.000000\nPm Sn Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.749999 0.749999 0.749999 Sn\n0.250001 0.250001 0.250001 Au\n",
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}