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{
"id": "jvasp-107114",
"created_at": "2022-09-04T14:36:49.926222Z",
"updated_at": "2022-09-04T14:36:49.926244Z",
"structure_string": "K2 Tm1 Cu1 Cl6\n1.0\n6.219734 -0.000000 3.590965\n2.073245 5.864021 3.590965\n-0.000000 -0.000000 7.181930\nK Tm Cu Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tm\n0.499999 0.500000 0.500000 Cu\n0.746402 0.253597 0.253597 Cl\n0.253597 0.253597 0.746403 Cl\n0.253597 0.746403 0.746403 Cl\n0.253597 0.746403 0.253597 Cl\n0.746402 0.253597 0.746402 Cl\n0.746402 0.746403 0.253597 Cl\n",
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{
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"structure_string": "Tm1 Ga1 Cu2\n1.0\n3.891424 -0.000000 2.246715\n1.297141 3.668870 2.246715\n-0.000000 -0.000000 4.493430\nTm Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.500000 0.499999 Ga\n0.749999 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n",
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{
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"updated_at": "2022-09-04T14:36:46.956937Z",
"structure_string": "Mg1 Hg5\n1.0\n6.157608 -0.000000 0.000000\n-3.078804 5.332645 0.000000\n-0.000000 0.000000 4.640591\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.689348 0.500000 Hg\n0.689348 0.000000 0.500000 Hg\n0.310652 0.310651 0.500000 Hg\n0.666667 0.333333 -0.000000 Hg\n0.333334 0.666666 -0.000000 Hg\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-102271",
"created_at": "2022-09-04T14:36:45.939623Z",
"updated_at": "2022-09-04T14:36:45.939642Z",
"structure_string": "Rb3 Bi1 Cl6\n1.0\n7.009034 -0.000000 4.046668\n2.336345 6.608181 4.046668\n-0.000000 -0.000000 8.093336\nRb Bi Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Bi\n0.763996 0.236003 0.236004 Cl\n0.236003 0.236003 0.763998 Cl\n0.236002 0.763997 0.763998 Cl\n0.236002 0.763997 0.236004 Cl\n0.763996 0.236003 0.763998 Cl\n0.763996 0.763997 0.236004 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.02667671398993622,
"volume": 374.8587627311406,
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"formula_full": "Rb3 Bi1 Cl6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-99593",
"created_at": "2022-09-04T14:36:46.444210Z",
"updated_at": "2022-09-04T14:36:46.444233Z",
"structure_string": "K2 Y1 Au1 F6\n1.0\n5.628814 -0.000000 3.249797\n1.876271 5.306897 3.249797\n-0.000000 -0.000000 6.499595\nK Y Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500000 Au\n0.765596 0.234403 0.234403 F\n0.234403 0.234403 0.765597 F\n0.234402 0.765598 0.765597 F\n0.234402 0.765598 0.234403 F\n0.765596 0.234403 0.765597 F\n0.765596 0.765598 0.234404 F\n",
"nsites": 10,
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"elements": [
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"volume": 194.15288687389432,
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"formula_full": "K2 Y1 Au1 F6",
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"spacegroup": 225
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{
"id": "jvasp-107109",
"created_at": "2022-09-04T14:37:03.083492Z",
"updated_at": "2022-09-04T14:37:03.083515Z",
"structure_string": "K2 Li1 Ce1 Cl6\n1.0\n6.384243 -0.000000 3.685945\n2.128081 6.019122 3.685945\n-0.000000 -0.000000 7.371889\nK Li Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.739508 0.260491 0.260491 Cl\n0.260491 0.260491 0.739508 Cl\n0.260491 0.739508 0.739508 Cl\n0.260491 0.739508 0.260491 Cl\n0.739508 0.260491 0.739508 Cl\n0.739508 0.739508 0.260491 Cl\n",
"nsites": 10,
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"elements": [
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"formula_full": "K2 Li1 Ce1 Cl6",
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{
"id": "jvasp-107851",
"created_at": "2022-09-04T14:36:46.198141Z",
"updated_at": "2022-09-04T14:36:46.198170Z",
"structure_string": "Rb2 Er1 Au1 Cl6\n1.0\n6.487659 -0.000000 3.745652\n2.162553 6.116623 3.745652\n-0.000000 -0.000000 7.491303\nRb Er 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 Er\n0.500000 0.500000 0.500000 Au\n0.755421 0.244579 0.244579 Cl\n0.244579 0.244579 0.755420 Cl\n0.244579 0.755420 0.755420 Cl\n0.244579 0.755420 0.244579 Cl\n0.755421 0.244579 0.755420 Cl\n0.755421 0.755420 0.244579 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
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"density": 4.177567182449738,
"density_atomic": 0.033638986962829756,
"volume": 297.2741126553469,
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"spacegroup": 225
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{
"id": "jvasp-2097",
"created_at": "2022-09-04T14:36:46.180371Z",
"updated_at": "2022-09-04T14:36:46.180395Z",
"structure_string": "Ga2 F6\n1.0\n4.397924 0.058712 2.899149\n1.591399 4.100320 2.899149\n0.084550 0.058712 5.266844\nGa F\n2 6\ndirect\n0.500000 0.499999 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.250000 0.616530 0.883469 F\n0.616531 0.883468 0.250001 F\n0.116531 0.750000 0.383469 F\n0.383469 0.116530 0.750000 F\n0.750000 0.383468 0.116532 F\n0.883468 0.249999 0.616532 F\n",
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"formula_full": "Ga2 F6",
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},
{
"id": "jvasp-100568",
"created_at": "2022-09-04T14:36:40.124932Z",
"updated_at": "2022-09-04T14:36:40.124942Z",
"structure_string": "Rb2 Pb2 F6\n1.0\n6.508359 -0.132583 6.801424\n3.052648 4.637436 3.400660\n0.000536 -0.000247 6.802415\nRb Pb F\n2 2 6\ndirect\n0.242967 0.423504 0.546353 Rb\n0.742995 0.423477 0.546270 Rb\n0.988166 0.913590 0.056060 Pb\n0.488152 0.913604 0.056117 Pb\n0.181171 0.426003 0.015855 F\n0.835350 0.771787 0.543598 F\n0.335386 0.771651 0.016056 F\n0.681219 0.426026 0.197806 F\n0.653215 0.953732 0.198264 F\n0.153233 0.953725 0.543676 F\n",
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},
{
"id": "jvasp-105002",
"created_at": "2022-09-04T14:36:46.099280Z",
"updated_at": "2022-09-04T14:36:46.099306Z",
"structure_string": "K2 Tl1 Ga1 Br6\n1.0\n6.873948 -0.000000 3.968676\n2.291316 6.480820 3.968676\n-0.000000 -0.000000 7.937351\nK Tl Ga Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.771855 0.228145 0.228146 Br\n0.228146 0.228145 0.771855 Br\n0.228146 0.771855 0.771855 Br\n0.228146 0.771855 0.228146 Br\n0.771855 0.228145 0.771855 Br\n0.771855 0.771855 0.228146 Br\n",
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"volume": 353.59961841491304,
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"formula_full": "K2 Tl1 Ga1 Br6",
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{
"id": "jvasp-29742",
"created_at": "2022-09-04T14:37:03.225945Z",
"updated_at": "2022-09-04T14:37:03.225972Z",
"structure_string": "Sm2 Cl2 F2\n1.0\n3.649206 -0.000000 0.000000\n-0.000000 3.649206 0.000000\n-0.000000 -0.000000 8.352739\nSm Cl F\n2 2 2\ndirect\n0.250000 0.250000 0.203153 Sm\n0.750001 0.750001 0.796847 Sm\n0.250000 0.250000 0.641386 Cl\n0.750001 0.750001 0.358614 Cl\n0.750001 0.250000 0.000000 F\n0.250000 0.750001 0.000000 F\n",
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{
"id": "jvasp-102413",
"created_at": "2022-09-04T14:36:46.090338Z",
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"structure_string": "K1 Rb2 Ir1 F6\n1.0\n5.499080 -0.000000 3.174895\n1.833027 5.184582 3.174895\n-0.000000 -0.000000 6.349791\nK Rb Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.773776 0.226225 0.226225 F\n0.226225 0.226225 0.773776 F\n0.226225 0.773775 0.773776 F\n0.226225 0.773775 0.226225 F\n0.773776 0.226225 0.773776 F\n0.773776 0.773775 0.226226 F\n",
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