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{
"id": "jvasp-90803",
"created_at": "2022-09-04T14:35:50.864705Z",
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{
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"updated_at": "2022-09-04T14:36:52.715159Z",
"structure_string": "Th1 Bi1\n1.0\n3.951971 0.000000 -0.000000\n0.000000 3.951971 -0.000000\n0.000000 0.000000 3.951971\nTh Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Bi\n",
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{
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"structure_string": "Rb2 Li2 Br4\n1.0\n4.164243 0.000000 -1.201901\n0.000000 7.542522 0.000000\n0.012378 0.000000 7.857788\nRb Li Br\n2 2 4\ndirect\n0.627272 0.750000 0.254543 Rb\n0.372729 0.250000 0.745457 Rb\n0.892279 0.750000 0.784558 Li\n0.107721 0.250000 0.215442 Li\n0.304414 0.750000 0.608827 Br\n0.695585 0.250000 0.391173 Br\n0.000000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 8,
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"spacegroup": 63
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{
"id": "jvasp-28368",
"created_at": "2022-09-04T14:36:06.111776Z",
"updated_at": "2022-09-04T14:36:06.111805Z",
"structure_string": "Zr1 Te2\n1.0\n3.983975 0.000005 -0.000050\n-1.991983 3.450216 -0.000000\n-0.000111 -0.000064 6.736285\nZr Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666654 0.333328 0.733828 Te\n0.333350 0.666676 0.266173 Te\n",
"nsites": 3,
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"elements": [
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"density": 6.21260028783438,
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"volume": 92.5941729639848,
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"formula_full": "Zr1 Te2",
"formula_reduced": "ZrTe2",
"formula_anonymous": "AB2",
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{
"id": "jvasp-36189",
"created_at": "2022-09-04T14:38:32.548315Z",
"updated_at": "2022-09-04T14:38:32.548345Z",
"structure_string": "Ba2 Pd2\n1.0\n-4.434677 0.000000 0.000000\n0.000000 0.000000 -4.709751\n-2.217338 -5.911638 -0.000000\nBa Pd\n2 2\ndirect\n0.138480 0.750000 0.723041 Ba\n0.861521 0.250000 0.276960 Ba\n0.427582 0.750000 0.144836 Pd\n0.572419 0.250000 0.855164 Pd\n",
"nsites": 4,
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{
"id": "jvasp-76876",
"created_at": "2022-09-04T14:38:04.384666Z",
"updated_at": "2022-09-04T14:38:04.384690Z",
"structure_string": "Ca1 Tl1 Hg2\n1.0\n-10.730663 0.000000 -6.195351\n-6.899072 -1.211700 -0.441159\n-5.305378 3.295950 -3.201519\nCa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 -0.000000 Tl\n0.746906 -0.000000 -0.000000 Hg\n0.253094 -0.000000 -0.000000 Hg\n",
"nsites": 4,
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{
"id": "jvasp-103321",
"created_at": "2022-09-04T14:36:56.654553Z",
"updated_at": "2022-09-04T14:36:56.654583Z",
"structure_string": "Th1 Bi3\n1.0\n4.979638 -0.000000 0.000000\n0.000000 4.979638 -0.000000\n0.000000 -0.000000 4.979638\nTh Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:36:02.186765Z",
"updated_at": "2022-09-04T14:36:02.186793Z",
"structure_string": "Ba2 Br6\n1.0\n6.860426 0.000000 0.000000\n-3.430213 5.941303 -0.000000\n-0.000000 -0.000000 6.059049\nBa Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.171670 0.343338 0.250000 Br\n0.656663 0.828330 0.250000 Br\n0.171670 0.828330 0.250000 Br\n0.828331 0.656662 0.750000 Br\n0.343338 0.171669 0.750000 Br\n0.828331 0.171669 0.750000 Br\n",
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"formula_full": "Ba2 Br6",
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"spacegroup": 194
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{
"id": "jvasp-16364",
"created_at": "2022-09-04T14:37:48.067287Z",
"updated_at": "2022-09-04T14:37:48.067308Z",
"structure_string": "La3 Al1\n1.0\n4.979693 -0.000000 -0.000000\n0.000000 4.979693 -0.000000\n0.000000 0.000000 4.979693\nLa Al\n3 1\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-41014",
"created_at": "2022-09-04T14:37:33.737748Z",
"updated_at": "2022-09-04T14:37:33.737770Z",
"structure_string": "Ba1 Hg2 Pb1\n1.0\n0.000000 3.952445 3.952445\n3.952445 -0.000000 3.952445\n3.952445 3.952445 -0.000000\nBa Hg Pb\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499998 0.499998 0.499998 Hg\n0.749999 0.749999 0.749999 Pb\n",
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{
"id": "jvasp-18887",
"created_at": "2022-09-04T14:35:50.587043Z",
"updated_at": "2022-09-04T14:35:50.587073Z",
"structure_string": "Hf1 Te2\n1.0\n1.987978 -3.443278 0.000000\n1.987978 3.443278 -0.000000\n0.000000 -0.000000 6.765726\nHf Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666668 0.260455 Te\n0.666668 0.333333 0.739545 Te\n",
"nsites": 3,
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{
"id": "jvasp-5407",
"created_at": "2022-09-04T14:38:11.874861Z",
"updated_at": "2022-09-04T14:38:11.874889Z",
"structure_string": "K8 Mn2 Cl12\n1.0\n8.790356 -0.035301 0.036519\n0.036220 8.790352 0.036519\n-0.035590 -0.035301 8.790359\nK Mn Cl\n8 2 12\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n-0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250026 0.250026 0.958284 Cl\n0.750026 0.750026 0.458284 Cl\n0.541716 0.249974 0.249974 Cl\n0.249974 0.541716 0.249974 Cl\n0.249974 0.249974 0.541716 Cl\n0.749975 0.041716 0.749975 Cl\n0.749975 0.749974 0.041716 Cl\n0.041716 0.749974 0.749975 Cl\n0.458284 0.750026 0.750026 Cl\n0.750026 0.458284 0.750026 Cl\n0.958285 0.250026 0.250026 Cl\n0.250026 0.958284 0.250026 Cl\n",
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"formula_full": "K8 Mn2 Cl12",
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