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{
"id": "jvasp-116163",
"created_at": "2022-09-04T14:38:40.774507Z",
"updated_at": "2022-09-04T14:38:40.774535Z",
"structure_string": "Hg2 Cl2\n1.0\n4.655609 -0.000000 0.000000\n0.000000 4.655609 0.000000\n0.000000 -0.000000 5.338268\nHg Cl\n2 2\ndirect\n0.000000 0.000000 0.250103 Hg\n0.500001 0.500001 0.749898 Hg\n0.000000 0.000000 0.750103 Cl\n0.500001 0.500001 0.249897 Cl\n",
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{
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"structure_string": "K2 Hg2 Br6 O2\n1.0\n8.180117 -0.085363 0.000000\n-6.977048 4.271114 0.000000\n-0.000000 -0.000000 10.107012\nK Hg Br O\n2 2 6 2\ndirect\n0.758758 0.241243 0.329572 K\n0.241242 0.758757 0.829571 K\n-0.000010 0.000010 0.579827 Hg\n0.000010 -0.000010 0.079827 Hg\n0.844917 0.155084 0.632369 Br\n0.155083 0.844915 0.132369 Br\n0.845001 0.155000 0.026794 Br\n0.154999 0.845000 0.526794 Br\n0.539450 0.460550 0.829571 Br\n0.460550 0.539450 0.329571 Br\n0.346808 0.653192 0.329566 O\n0.653192 0.346808 0.829565 O\n",
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{
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"created_at": "2022-09-04T14:38:36.863056Z",
"updated_at": "2022-09-04T14:38:36.863080Z",
"structure_string": "Na1 Tl3\n1.0\n4.420121 0.028367 -4.159508\n-0.806268 4.346056 -4.159508\n-0.023435 -0.028367 6.069467\nNa Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.749999 0.250000 0.500000 Tl\n0.249999 0.750000 0.500000 Tl\n0.500000 0.500001 0.000000 Tl\n",
"nsites": 4,
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{
"id": "jvasp-102119",
"created_at": "2022-09-04T14:36:40.013454Z",
"updated_at": "2022-09-04T14:36:40.013485Z",
"structure_string": "Nd2 Hg1 Pb1\n1.0\n4.736679 -0.000000 2.734723\n1.578893 4.465784 2.734723\n-0.000000 -0.000000 5.469447\nNd Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.749999 0.750000 Nd\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pb\n",
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"volume": 115.6951319427418,
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{
"id": "jvasp-109100",
"created_at": "2022-09-04T14:38:16.069891Z",
"updated_at": "2022-09-04T14:38:16.069917Z",
"structure_string": "La4 Ru4 I2\n1.0\n4.332507 -0.000000 0.000000\n-2.166253 3.752061 0.000000\n-0.000000 -0.000000 17.791918\nLa Ru I\n4 4 2\ndirect\n0.000000 0.000000 0.106133 La\n0.000000 0.000000 0.893867 La\n0.000000 0.000000 0.606133 La\n0.000000 0.000000 0.393867 La\n0.333334 0.666666 0.502954 Ru\n0.666667 0.333333 0.497047 Ru\n0.666667 0.333333 0.002953 Ru\n0.333334 0.666666 0.997047 Ru\n0.333334 0.666666 0.250000 I\n0.666667 0.333333 0.750000 I\n",
"nsites": 10,
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"elements": [
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"volume": 289.2224041128203,
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{
"id": "jvasp-109888",
"created_at": "2022-09-04T14:38:11.428156Z",
"updated_at": "2022-09-04T14:38:11.428179Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n6.428489 -0.000000 3.711490\n2.142830 6.060837 3.711490\n-0.000000 -0.000000 7.422979\nRb Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.756205 0.243796 0.243795 Cl\n0.243796 0.243796 0.756205 Cl\n0.243795 0.756205 0.756204 Cl\n0.243795 0.756205 0.243795 Cl\n0.756205 0.243796 0.756205 Cl\n0.756205 0.756205 0.243795 Cl\n",
"nsites": 10,
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"formula_full": "Rb2 Lu1 Ag1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-108981",
"created_at": "2022-09-04T14:37:56.414196Z",
"updated_at": "2022-09-04T14:37:56.414218Z",
"structure_string": "K2 Lu1 Au1 Cl6\n1.0\n6.428448 -0.000000 3.711466\n2.142816 6.060799 3.711466\n-0.000000 -0.000000 7.422933\nK Lu Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Au\n0.756627 0.243373 0.243373 Cl\n0.243373 0.243373 0.756627 Cl\n0.243373 0.756627 0.756627 Cl\n0.243373 0.756627 0.243373 Cl\n0.756627 0.243373 0.756627 Cl\n0.756628 0.756627 0.243373 Cl\n",
"nsites": 10,
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"Cl"
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"density": 3.8058494201902384,
"density_atomic": 0.03457709019887244,
"volume": 289.2088357488827,
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"formula_full": "K2 Lu1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-69075",
"created_at": "2022-09-04T14:36:15.102193Z",
"updated_at": "2022-09-04T14:36:15.102207Z",
"structure_string": "Ba1 Mo1 Br2\n1.0\n5.226983 0.000000 0.000000\n0.000000 5.226983 -0.000000\n0.000000 0.000000 4.233992\nBa Mo Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
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},
{
"id": "jvasp-2961",
"created_at": "2022-09-04T14:36:59.774213Z",
"updated_at": "2022-09-04T14:36:59.774237Z",
"structure_string": "Rb1 Au3 Se2\n1.0\n3.105481 -5.378850 0.000000\n3.105481 5.378850 0.000000\n0.000000 0.000000 5.193593\nRb Au Se\n1 3 2\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 -0.000000 0.000000 Au\n-0.000000 0.500000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.333333 0.666667 0.330540 Se\n0.666667 0.333333 0.669460 Se\n",
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{
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"created_at": "2022-09-04T14:38:29.870913Z",
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"structure_string": "Yb12 Dy4 Sb12\n1.0\n9.320509 -0.000000 0.000000\n0.000000 9.320509 0.000000\n-0.000000 0.000000 9.320509\nYb Dy Sb\n12 4 12\ndirect\n0.822808 0.677192 0.322808 Yb\n0.430961 0.430961 0.430961 Yb\n0.172902 0.827098 0.327098 Yb\n0.322808 0.822808 0.677192 Yb\n0.672902 0.672902 0.672902 Yb\n0.327098 0.172902 0.827098 Yb\n0.930961 0.069039 0.569039 Yb\n0.677192 0.322808 0.822808 Yb\n0.827098 0.327098 0.172902 Yb\n0.177192 0.177192 0.177192 Yb\n0.569039 0.930961 0.069039 Yb\n0.069039 0.569039 0.930961 Yb\n0.428411 0.571589 0.071589 Dy\n0.928411 0.928411 0.928411 Dy\n0.571589 0.071589 0.428411 Dy\n0.071589 0.428411 0.571589 Dy\n0.870224 0.001031 0.245446 Sb\n0.498969 0.754554 0.370224 Sb\n0.254554 0.129776 0.501031 Sb\n0.629776 0.998969 0.745446 Sb\n0.998969 0.745446 0.629776 Sb\n0.754554 0.370224 0.498969 Sb\n0.370224 0.498969 0.754554 Sb\n0.001031 0.245446 0.870224 Sb\n0.745446 0.629776 0.998969 Sb\n0.129776 0.501031 0.254554 Sb\n0.501031 0.254554 0.129776 Sb\n0.245446 0.870224 0.001031 Sb\n",
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{
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"created_at": "2022-09-04T14:37:12.683048Z",
"updated_at": "2022-09-04T14:37:12.683072Z",
"structure_string": "K4 Na1 Cl5\n1.0\n7.401741 0.000644 -1.266628\n-5.265090 5.202365 -1.266628\n-0.000265 -0.000644 7.509335\nK Na Cl\n4 1 5\ndirect\n0.595269 0.200738 0.796007 K\n0.200738 0.404731 0.605469 K\n0.799262 0.595268 0.394531 K\n0.404731 0.799262 0.203993 K\n0.000000 0.000000 0.000000 Na\n0.716534 0.906455 0.622990 Cl\n0.283466 0.093544 0.377010 Cl\n0.906455 0.283465 0.189922 Cl\n0.499999 0.499999 -0.000001 Cl\n0.093544 0.716534 0.810078 Cl\n",
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{
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"structure_string": "Ba1 Zn1 Cl2\n1.0\n4.317101 0.000000 -0.000000\n-0.000000 4.317101 -0.000000\n0.000000 -0.000000 6.205867\nBa Zn Cl\n1 1 2\ndirect\n0.500000 0.500000 0.580542 Ba\n0.000000 0.000000 0.945238 Zn\n0.000000 0.000000 0.401469 Cl\n0.500000 0.500000 0.082750 Cl\n",
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}