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{
"id": "jvasp-80723",
"created_at": "2022-09-04T14:37:03.902446Z",
"updated_at": "2022-09-04T14:37:03.902466Z",
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{
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{
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"structure_string": "Tl3 Ir1\n1.0\n0.000000 3.625379 3.625379\n3.625379 0.000000 3.625379\n3.625379 3.625379 0.000000\nTl Ir\n3 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Ir\n",
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{
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"structure_string": "Si1 O2\n1.0\n2.802661 -0.000000 1.618117\n0.934221 2.642375 1.618117\n0.000000 0.000000 3.236234\nSi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.749999 0.750001 O\n0.250000 0.250000 0.250000 O\n",
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{
"id": "jvasp-29322",
"created_at": "2022-09-04T14:36:58.873782Z",
"updated_at": "2022-09-04T14:36:58.873811Z",
"structure_string": "Pb2 I4\n1.0\n4.536984 0.007465 13.629727\n2.215097 3.959499 13.629727\n0.012707 0.007465 14.365011\nPb I\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500001 0.499999 Pb\n0.121877 0.121877 0.121877 I\n0.878122 0.878125 0.878122 I\n0.288544 0.288545 0.288544 I\n0.711455 0.711458 0.711455 I\n",
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"formula_full": "Pb2 I4",
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{
"id": "jvasp-16077",
"created_at": "2022-09-04T14:36:51.335736Z",
"updated_at": "2022-09-04T14:36:51.335758Z",
"structure_string": "Te4 Pt3\n1.0\n3.979124 0.001568 0.668810\n1.931860 3.478700 0.668810\n-0.041451 -0.024405 12.425441\nTe Pt\n4 3\ndirect\n0.945805 0.945807 0.162484 Te\n0.054193 0.054195 0.837516 Te\n0.794990 0.794993 0.614933 Te\n0.205008 0.205009 0.385067 Te\n0.646503 0.646505 0.060448 Pt\n0.499999 0.500001 0.500000 Pt\n0.353495 0.353497 0.939552 Pt\n",
"nsites": 7,
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{
"id": "jvasp-100962",
"created_at": "2022-09-04T14:36:41.387944Z",
"updated_at": "2022-09-04T14:36:41.387962Z",
"structure_string": "Dy1 Mg2\n1.0\n5.184614 -0.000000 0.000000\n-2.592307 4.490007 0.000000\n-0.000000 -0.000000 3.265608\nDy Mg\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.500000 Mg\n0.666666 0.333334 0.500000 Mg\n",
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"volume": 76.01993564576956,
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{
"id": "jvasp-52594",
"created_at": "2022-09-04T14:36:51.259502Z",
"updated_at": "2022-09-04T14:36:51.259534Z",
"structure_string": "H1 Cl1\n1.0\n3.060340 -0.984623 1.925931\n0.091802 3.213525 1.925931\n-0.000000 -0.000000 3.851862\nH Cl\n1 1\ndirect\n0.708224 0.291776 -0.000000 H\n0.959775 0.040225 -0.000001 Cl\n",
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{
"id": "jvasp-240",
"created_at": "2022-09-04T14:37:04.551298Z",
"updated_at": "2022-09-04T14:37:04.551323Z",
"structure_string": "Ni2 O4\n1.0\n-1.414123 2.449342 -0.000049\n-0.000045 0.000137 8.628133\n2.828253 -0.000006 0.000016\nNi O\n2 4\ndirect\n0.000001 -0.000004 -0.000035 Ni\n0.000000 0.500003 -0.000034 Ni\n0.666667 0.109023 0.333300 O\n0.666667 0.609029 0.333300 O\n0.333331 0.390978 0.666633 O\n0.333333 0.890971 0.666632 O\n",
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"volume": 59.77010038892054,
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"formula_full": "Ni2 O4",
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},
{
"id": "jvasp-18996",
"created_at": "2022-09-04T14:36:47.895673Z",
"updated_at": "2022-09-04T14:36:47.895682Z",
"structure_string": "As8 O12\n1.0\n6.727915 -0.000000 3.884364\n2.242639 6.343140 3.884364\n0.000000 0.000000 7.768728\nAs O\n8 12\ndirect\n0.768688 0.768688 0.768687 As\n0.806063 0.231312 0.231312 As\n0.231313 0.806062 0.231312 As\n0.193938 0.768688 0.768687 As\n0.768688 0.193938 0.768687 As\n0.768688 0.768688 0.193937 As\n0.231312 0.231312 0.231312 As\n0.231312 0.231312 0.806062 As\n0.054172 0.695828 0.695828 O\n0.695828 0.695828 0.054171 O\n0.945828 0.304172 0.304171 O\n0.054172 0.695828 0.054172 O\n0.695828 0.054172 0.695827 O\n0.945828 0.304172 0.945827 O\n0.945829 0.945828 0.304171 O\n0.304172 0.304172 0.945828 O\n0.304173 0.945828 0.304172 O\n0.695828 0.054172 0.054172 O\n0.304173 0.945828 0.945827 O\n0.054172 0.054172 0.695828 O\n",
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},
{
"id": "jvasp-22632",
"created_at": "2022-09-04T14:36:41.381453Z",
"updated_at": "2022-09-04T14:36:41.381482Z",
"structure_string": "Cr2 Cl6\n1.0\n5.196435 0.057507 4.097875\n2.020070 4.788065 4.097873\n0.085647 0.057511 6.617263\nCr Cl\n2 6\ndirect\n0.666694 0.666695 0.666693 Cr\n0.333305 0.333306 0.333305 Cr\n0.582638 0.921642 0.260205 Cl\n0.739793 0.417362 0.078359 Cl\n0.260206 0.582639 0.921640 Cl\n0.078359 0.739795 0.417360 Cl\n0.417361 0.078359 0.739793 Cl\n0.921640 0.260207 0.582638 Cl\n",
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{
"id": "jvasp-107154",
"created_at": "2022-09-04T14:36:58.680896Z",
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"structure_string": "Mg1 O2\n1.0\n2.913015 0.006839 2.648285\n1.175706 2.665223 2.648285\n0.010465 0.006839 3.936871\nMg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.571844 0.571844 0.571844 O\n0.428155 0.428155 0.428155 O\n",
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]
}