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{
"id": "jvasp-36825",
"created_at": "2022-09-04T14:37:54.455429Z",
"updated_at": "2022-09-04T14:37:54.455448Z",
"structure_string": "Au2 Cl2 O4\n1.0\n0.000000 3.947271 -0.086431\n3.418267 0.000000 0.000000\n0.000000 -1.640918 -10.790458\nAu Cl O\n2 2 4\ndirect\n0.143318 0.750001 0.077803 Au\n0.856681 0.250000 0.922197 Au\n0.396966 0.250000 0.218120 Cl\n0.603033 0.750001 0.781880 Cl\n0.877591 0.750001 0.421803 O\n0.813284 0.250000 0.543443 O\n0.122408 0.250000 0.578197 O\n0.186715 0.750001 0.456557 O\n",
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{
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"structure_string": "Au6 Cl6 O6\n1.0\n7.555196 0.004659 -3.274961\n-4.990396 5.672474 -3.274961\n0.002105 0.004660 8.234461\nAu Cl O\n6 6 6\ndirect\n0.294318 0.413233 0.765218 Au\n0.413232 0.765218 0.294319 Au\n0.705681 0.586767 0.234782 Au\n0.234781 0.705681 0.586767 Au\n0.586767 0.234782 0.705681 Au\n0.765218 0.294319 0.413233 Au\n0.873615 0.624148 0.918370 Cl\n0.624148 0.918370 0.873615 Cl\n0.918370 0.873615 0.624148 Cl\n0.126384 0.375851 0.081629 Cl\n0.081629 0.126384 0.375851 Cl\n0.375851 0.081629 0.126385 Cl\n0.128502 0.531450 0.691639 O\n0.691639 0.128503 0.531450 O\n0.531450 0.691639 0.128503 O\n0.871497 0.468549 0.308361 O\n0.308360 0.871496 0.468549 O\n0.468549 0.308360 0.871496 O\n",
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{
"id": "jvasp-102898",
"created_at": "2022-09-04T14:36:37.823030Z",
"updated_at": "2022-09-04T14:36:37.823053Z",
"structure_string": "Rb2 Nd1 Au1 Cl6\n1.0\n6.629192 -0.000000 3.827366\n2.209731 6.250063 3.827366\n0.000000 -0.000000 7.654732\nRb Nd Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500001 Au\n0.749747 0.250253 0.250253 Cl\n0.250253 0.250253 0.749747 Cl\n0.250253 0.749747 0.749748 Cl\n0.250253 0.749747 0.250253 Cl\n0.749747 0.250253 0.749748 Cl\n0.749747 0.749747 0.250254 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.03153007597282549,
"volume": 317.1574977687526,
"volume_molar": 19.099670946528143,
"formula_full": "Rb2 Nd1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-110696",
"created_at": "2022-09-04T14:38:36.688513Z",
"updated_at": "2022-09-04T14:38:36.688534Z",
"structure_string": "Na3 Au1 Cl6\n1.0\n6.249608 -0.000000 3.608213\n2.083203 5.892187 3.608213\n-0.000000 -0.000000 7.216425\nNa Au Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756436 0.243564 0.243564 Cl\n0.243564 0.243564 0.756436 Cl\n0.243564 0.756436 0.756436 Cl\n0.243564 0.756436 0.243564 Cl\n0.756436 0.243564 0.756436 Cl\n0.756436 0.756436 0.243564 Cl\n",
"nsites": 10,
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"formula_full": "Na3 Au1 Cl6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-104526",
"created_at": "2022-09-04T14:37:13.053844Z",
"updated_at": "2022-09-04T14:37:13.053860Z",
"structure_string": "Rb2 La1 Au1 Cl6\n1.0\n6.676731 -0.000000 3.854813\n2.225577 6.294883 3.854813\n-0.000000 -0.000000 7.709625\nRb La Au 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 La\n0.500000 0.500000 0.500000 Au\n0.747930 0.252070 0.252070 Cl\n0.252070 0.252070 0.747930 Cl\n0.252070 0.747930 0.747930 Cl\n0.252070 0.747930 0.252070 Cl\n0.747930 0.252070 0.747930 Cl\n0.747930 0.747930 0.252070 Cl\n",
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"formula_full": "Rb2 La1 Au1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-100679",
"created_at": "2022-09-04T14:36:37.458936Z",
"updated_at": "2022-09-04T14:36:37.458956Z",
"structure_string": "K2 Y1 Au1 Cl6\n1.0\n6.491151 -0.000000 3.747668\n2.163717 6.119916 3.747668\n-0.000000 -0.000000 7.495335\nK Y Au Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Au\n0.753858 0.246143 0.246143 Cl\n0.246142 0.246143 0.753858 Cl\n0.246143 0.753858 0.753858 Cl\n0.246143 0.753858 0.246143 Cl\n0.753858 0.246143 0.753858 Cl\n0.753858 0.753858 0.246143 Cl\n",
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"volume": 297.7544229556726,
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"formula_full": "K2 Y1 Au1 Cl6",
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{
"id": "jvasp-100902",
"created_at": "2022-09-04T14:37:08.290462Z",
"updated_at": "2022-09-04T14:37:08.290482Z",
"structure_string": "K2 Tl1 Au1 Cl6\n1.0\n6.460601 0.000000 3.730030\n2.153534 6.091113 3.730030\n0.000000 0.000000 7.460060\nK Tl Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Au\n0.742947 0.257052 0.257053 Cl\n0.257052 0.257052 0.742948 Cl\n0.257052 0.742947 0.742948 Cl\n0.257052 0.742947 0.257053 Cl\n0.742947 0.257052 0.742948 Cl\n0.742947 0.742947 0.257053 Cl\n",
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"formula_full": "K2 Tl1 Au1 Cl6",
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{
"id": "jvasp-105597",
"created_at": "2022-09-04T14:36:30.925703Z",
"updated_at": "2022-09-04T14:36:30.925724Z",
"structure_string": "K2 Tb1 Au1 Cl6\n1.0\n6.509987 0.000000 3.758543\n2.169995 6.137675 3.758543\n-0.000000 -0.000000 7.517086\nTb K Au Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Au\n0.753381 0.246619 0.246619 Cl\n0.246620 0.246619 0.753381 Cl\n0.246620 0.753380 0.753381 Cl\n0.246620 0.753380 0.246619 Cl\n0.753381 0.246619 0.753381 Cl\n0.753382 0.753380 0.246618 Cl\n",
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{
"id": "jvasp-102870",
"created_at": "2022-09-04T14:36:42.968134Z",
"updated_at": "2022-09-04T14:36:42.968153Z",
"structure_string": "K2 Sc1 Au1 Cl6\n1.0\n6.318026 -0.000000 3.647714\n2.106009 5.956691 3.647714\n0.000000 0.000000 7.295428\nK Sc Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Au\n0.759839 0.240161 0.240161 Cl\n0.240162 0.240161 0.759839 Cl\n0.240162 0.759838 0.759838 Cl\n0.240162 0.759838 0.240161 Cl\n0.759839 0.240161 0.759838 Cl\n0.759839 0.759838 0.240160 Cl\n",
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{
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"created_at": "2022-09-04T14:38:38.503813Z",
"updated_at": "2022-09-04T14:38:38.503845Z",
"structure_string": "K2 Sb1 Au1 Cl6\n1.0\n6.485572 -0.000000 3.744447\n2.161858 6.114656 3.744447\n0.000000 0.000000 7.488894\nK Sb Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.749928 0.250072 0.250072 Cl\n0.250072 0.250072 0.749928 Cl\n0.250072 0.749929 0.749928 Cl\n0.250072 0.749929 0.250072 Cl\n0.749928 0.250072 0.749928 Cl\n0.749928 0.749929 0.250072 Cl\n",
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{
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"created_at": "2022-09-04T14:36:44.294905Z",
"updated_at": "2022-09-04T14:36:44.294925Z",
"structure_string": "K1 Rb2 Au1 Cl6\n1.0\n6.589548 -0.000000 3.804477\n2.196516 6.212685 3.804477\n-0.000000 -0.000000 7.608954\nK Rb Au Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.767695 0.232306 0.232306 Cl\n0.232306 0.232306 0.767694 Cl\n0.232306 0.767695 0.767694 Cl\n0.232306 0.767695 0.232305 Cl\n0.767695 0.232306 0.767694 Cl\n0.767695 0.767695 0.232306 Cl\n",
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{
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"created_at": "2022-09-04T14:35:42.747380Z",
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}
]
}