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"id": "jvasp-64872",
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"structure_string": "Ba4 Nb1 Br1\n1.0\n0.000000 5.085319 5.085319\n5.085319 -0.000000 5.085319\n5.085319 5.085319 -0.000000\nBa Nb Br\n4 1 1\ndirect\n0.123870 0.625377 0.625377 Ba\n0.625377 0.625377 0.625377 Ba\n0.625377 0.123870 0.625377 Ba\n0.625377 0.625377 0.123870 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Br\n",
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"structure_string": "Ba4 Fe1 Se1\n1.0\n-0.000000 4.851459 4.851459\n4.851459 -0.000000 4.851459\n4.851459 4.851459 -0.000000\nBa Fe Se\n4 1 1\ndirect\n0.124871 0.625043 0.625043 Ba\n0.625043 0.625043 0.625043 Ba\n0.625043 0.124871 0.625043 Ba\n0.625043 0.625043 0.124871 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
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"formula_full": "Ba4 Fe1 Se1",
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{
"id": "jvasp-66502",
"created_at": "2022-09-04T14:36:03.343975Z",
"updated_at": "2022-09-04T14:36:03.343997Z",
"structure_string": "Ba4 Si1 Pd1\n1.0\n-0.000000 4.803817 4.803817\n4.803817 -0.000000 4.803817\n4.803817 4.803817 -0.000000\nBa Si Pd\n4 1 1\ndirect\n0.124303 0.625232 0.625232 Ba\n0.625232 0.625232 0.625232 Ba\n0.625232 0.124303 0.625232 Ba\n0.625232 0.625232 0.124303 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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"elements": [
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"volume": 221.7120817925066,
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"formula_full": "Ba4 Si1 Pd1",
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{
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"created_at": "2022-09-04T14:36:12.859574Z",
"updated_at": "2022-09-04T14:36:12.859599Z",
"structure_string": "Ba4 Hf1 Nb1\n1.0\n0.000000 4.791374 4.791374\n4.791374 0.000000 4.791374\n4.791374 4.791374 0.000000\nBa Hf Nb\n4 1 1\ndirect\n0.124520 0.625159 0.625159 Ba\n0.625159 0.625159 0.625159 Ba\n0.625159 0.124520 0.625159 Ba\n0.625159 0.625159 0.124520 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
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"volume": 219.99368342314415,
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{
"id": "jvasp-63934",
"created_at": "2022-09-04T14:36:03.374326Z",
"updated_at": "2022-09-04T14:36:03.374350Z",
"structure_string": "Ba4 V1 Cr1\n1.0\n0.000000 5.004302 5.004302\n5.004302 0.000000 5.004302\n5.004302 5.004302 0.000000\nBa V Cr\n4 1 1\ndirect\n0.124626 0.625125 0.625125 Ba\n0.625125 0.625125 0.625125 Ba\n0.625125 0.124626 0.625125 Ba\n0.625125 0.625125 0.124626 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Cr\n",
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{
"id": "jvasp-97791",
"created_at": "2022-09-04T14:36:06.565369Z",
"updated_at": "2022-09-04T14:36:06.565389Z",
"structure_string": "Tb2 Cr2 O8\n1.0\n5.726714 0.001463 -1.658435\n-3.233775 4.726304 -1.658435\n-0.000771 -0.001463 5.962018\nTb Cr O\n2 2 8\ndirect\n0.125000 0.874999 0.250001 Tb\n0.875000 0.125000 0.750001 Tb\n0.375000 0.625000 0.750001 Cr\n0.624999 0.374999 0.250001 Cr\n0.799004 0.732106 0.433105 O\n0.365902 0.799004 0.566897 O\n0.732107 0.799004 0.933104 O\n0.799003 0.365900 0.066897 O\n0.634099 0.200996 0.433105 O\n0.200996 0.267893 0.566897 O\n0.267892 0.200996 0.066897 O\n0.200997 0.634100 0.933105 O\n",
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"Cr",
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"density": 5.657992355072432,
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"volume": 161.36954383414485,
"volume_molar": 8.098250894551754,
"formula_full": "Tb2 Cr2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 141
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{
"id": "jvasp-66504",
"created_at": "2022-09-04T14:36:06.526253Z",
"updated_at": "2022-09-04T14:36:06.526278Z",
"structure_string": "Ba4 Cd1 W1\n1.0\n0.000000 4.822974 4.822974\n4.822974 -0.000000 4.822974\n4.822974 4.822974 0.000000\nBa Cd W\n4 1 1\ndirect\n0.122688 0.625771 0.625771 Ba\n0.625771 0.625771 0.625771 Ba\n0.625771 0.122688 0.625771 Ba\n0.625771 0.625771 0.122688 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 W\n",
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"volume": 224.3751507862381,
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"formula_full": "Ba4 Cd1 W1",
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{
"id": "jvasp-64472",
"created_at": "2022-09-04T14:36:05.622177Z",
"updated_at": "2022-09-04T14:36:05.622196Z",
"structure_string": "Ba4 Li1 Sb1\n1.0\n0.000000 5.084320 5.084320\n5.084320 -0.000000 5.084320\n5.084320 5.084320 0.000000\nBa Li Sb\n4 1 1\ndirect\n0.119196 0.626934 0.626934 Ba\n0.626934 0.626934 0.626934 Ba\n0.626934 0.119196 0.626934 Ba\n0.626934 0.626934 0.119196 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-65159",
"created_at": "2022-09-04T14:36:05.555355Z",
"updated_at": "2022-09-04T14:36:05.555376Z",
"structure_string": "Na1 Be1 Fe4\n1.0\n0.000000 3.371926 3.371926\n3.371926 -0.000000 3.371926\n3.371926 3.371926 -0.000000\nNa Be Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Be\n0.123390 0.625538 0.625538 Fe\n0.625538 0.625538 0.625538 Fe\n0.625538 0.123390 0.625538 Fe\n0.625538 0.625538 0.123390 Fe\n",
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{
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"created_at": "2022-09-04T14:36:05.536061Z",
"updated_at": "2022-09-04T14:36:05.536077Z",
"structure_string": "Be1 Cr4 Sn1\n1.0\n0.000000 3.406584 3.406584\n3.406584 -0.000000 3.406584\n3.406584 3.406584 0.000000\nBe Cr Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.118707 0.627097 0.627097 Cr\n0.627097 0.627097 0.627097 Cr\n0.627097 0.118707 0.627097 Cr\n0.627097 0.627097 0.118707 Cr\n0.250000 0.250000 0.250000 Sn\n",
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{
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"structure_string": "V2 Cr2 O8\n1.0\n5.796309 -0.000000 0.000000\n2.898155 4.453139 -0.727683\n2.898155 0.798314 4.441020\nV Cr O\n2 2 8\ndirect\n0.231495 0.018505 0.018505 V\n0.768504 0.981494 0.981495 V\n-0.000001 0.500000 0.500000 Cr\n0.499999 0.500000 0.500000 Cr\n0.296848 0.198498 0.198498 O\n0.252023 0.298562 0.697390 O\n0.252023 0.697390 0.298563 O\n0.193842 0.801502 0.801502 O\n0.806157 0.198498 0.198498 O\n0.747976 0.302609 0.701437 O\n0.747976 0.701437 0.302610 O\n0.703151 0.801502 0.801502 O\n",
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"formula_full": "V2 Cr2 O8",
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