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{
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"structure_string": "Ba1 Ho2 O4\n1.0\n3.183858 0.000000 0.000000\n0.000000 7.460319 1.869229\n0.000000 2.410042 6.176206\nBa Ho O\n1 2 4\ndirect\n0.250000 0.836657 0.735584 Ba\n0.750000 0.469229 0.469588 Ho\n0.750000 0.204086 0.001573 Ho\n0.250000 0.171576 0.736104 O\n0.250000 0.501742 0.735050 O\n0.250000 0.073615 0.263023 O\n0.250000 0.599692 0.208136 O\n",
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{
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{
"id": "jvasp-41014",
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"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",
"nsites": 4,
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"formula_full": "Ba1 Hg2 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-69355",
"created_at": "2022-09-04T14:35:46.503300Z",
"updated_at": "2022-09-04T14:35:46.503331Z",
"structure_string": "Ba1 Hg1 W2\n1.0\n4.220661 0.000000 -0.000000\n-0.000000 4.220661 0.000000\n-0.000000 -0.000000 5.236815\nBa Hg W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n",
"nsites": 4,
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"elements": [
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"density": 12.559653219410631,
"density_atomic": 0.04287773310272928,
"volume": 93.28851388706904,
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"formula_full": "Ba1 Hg1 W2",
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"spacegroup": 123
},
{
"id": "jvasp-65619",
"created_at": "2022-09-04T14:36:01.448044Z",
"updated_at": "2022-09-04T14:36:01.448062Z",
"structure_string": "Ba1 Hg1 W2\n1.0\n-2.113514 2.113514 5.267549\n2.113514 -2.113514 5.267549\n2.113514 2.113514 -5.267549\nBa Hg W\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Ba\n0.749999 0.250000 0.499999 Hg\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n",
"nsites": 4,
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"volume": 94.11933141260964,
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"formula_full": "Ba1 Hg1 W2",
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"spacegroup": 139
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{
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"created_at": "2022-09-04T14:35:41.146675Z",
"updated_at": "2022-09-04T14:35:41.146696Z",
"structure_string": "Ba1 Hg1 Se4\n1.0\n-0.000000 4.280252 4.280252\n4.280252 0.000000 4.280252\n4.280252 4.280252 0.000000\nBa Hg Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hg\n0.122856 0.625714 0.625714 Se\n0.625714 0.625714 0.625714 Se\n0.625714 0.122856 0.625714 Se\n0.625714 0.625714 0.122856 Se\n",
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"formula_full": "Ba1 Hg1 Se4",
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"spacegroup": 216
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{
"id": "jvasp-69254",
"created_at": "2022-09-04T14:35:58.216816Z",
"updated_at": "2022-09-04T14:35:58.216841Z",
"structure_string": "Ba1 Hg1 Se2\n1.0\n4.426130 -0.000000 0.000000\n0.000000 4.426130 0.000000\n0.000000 -0.000000 7.070054\nBa Hg Se\n1 1 2\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.826617 Se\n0.000000 0.000000 0.173383 Se\n",
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{
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"created_at": "2022-09-04T14:35:43.828768Z",
"updated_at": "2022-09-04T14:35:43.828798Z",
"structure_string": "Ba1 Hg1 Sb1\n1.0\n-0.000000 3.957095 3.957095\n3.957095 0.000000 3.957095\n3.957095 3.957095 -0.000000\nBa Hg Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Sb\n",
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{
"id": "jvasp-69228",
"created_at": "2022-09-04T14:36:20.871346Z",
"updated_at": "2022-09-04T14:36:20.871362Z",
"structure_string": "Ba1 Hg1 Pt2\n1.0\n4.629386 0.000000 0.000000\n0.000000 4.629386 0.000000\n0.000000 -0.000000 4.307801\nBa Hg Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
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"formula_full": "Ba1 Hg1 Pt2",
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},
{
"id": "jvasp-65461",
"created_at": "2022-09-04T14:36:16.045573Z",
"updated_at": "2022-09-04T14:36:16.045584Z",
"structure_string": "Ba1 Hg1 Pd2\n1.0\n3.325465 -3.326476 0.000000\n3.325465 3.326476 0.000000\n0.000000 0.000000 4.197291\nBa Hg Pd\n1 1 2\ndirect\n0.500001 0.000000 0.500000 Ba\n0.000000 0.500001 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.000000 Pd\n",
"nsites": 4,
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{
"id": "jvasp-66216",
"created_at": "2022-09-04T14:35:58.734682Z",
"updated_at": "2022-09-04T14:35:58.734710Z",
"structure_string": "Ba1 Hg1 Pb1\n1.0\n0.000000 3.957428 3.957428\n3.957428 0.000000 3.957428\n3.957428 3.957428 0.000000\nBa Hg Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pb\n",
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{
"id": "jvasp-1456",
"created_at": "2022-09-04T14:36:34.707508Z",
"updated_at": "2022-09-04T14:36:34.707543Z",
"structure_string": "Ba1 Hg1 O2\n1.0\n3.966343 0.006134 5.737822\n1.794638 3.537116 5.737822\n0.009974 0.006134 6.975270\nBa Hg O\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Hg\n0.898601 0.898601 0.898603 O\n0.101398 0.101398 0.101398 O\n",
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