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{
"id": "jvasp-120385",
"created_at": "2022-09-04T14:38:48.791312Z",
"updated_at": "2022-09-04T14:38:48.791335Z",
"structure_string": "Au1 Br3\n1.0\n7.326739 -1.364499 -1.403514\n4.631630 -4.649448 -1.302090\n0.686804 -3.685441 -5.053460\nAu Br\n1 3\ndirect\n0.094007 0.648585 0.788629 Au\n0.873087 0.027177 0.973147 Br\n0.684598 0.479193 0.242166 Br\n0.308505 0.207030 0.659780 Br\n",
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{
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"structure_string": "Al1 Sb1 O3\n1.0\n3.747770 -0.000000 0.000000\n-0.000000 3.747770 0.000000\n-0.000000 -0.000000 3.747770\nAl Sb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Yb1 Mn28\n1.0\n7.038345 -0.000000 -2.488431\n-3.519172 6.095385 -2.488431\n-0.000000 -0.000000 7.465292\nYb Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623662 0.623663 0.822000 Mn\n0.198337 0.000000 0.376337 Mn\n0.000000 0.198338 0.376338 Mn\n0.801663 0.801663 0.178000 Mn\n0.801662 0.178000 0.801662 Mn\n0.000000 0.376338 0.198338 Mn\n0.198338 0.376338 0.000000 Mn\n0.376337 0.000000 0.198337 Mn\n0.178000 0.801663 0.801663 Mn\n0.376337 0.198338 0.000000 Mn\n0.606493 0.286959 0.606493 Mn\n0.286959 0.606494 0.606494 Mn\n0.822000 0.623663 0.623663 Mn\n0.606493 0.606494 0.286959 Mn\n0.000000 0.680466 0.393507 Mn\n0.319535 0.319535 0.713041 Mn\n0.319535 0.713042 0.319535 Mn\n0.000000 0.393507 0.680465 Mn\n0.680465 0.393507 0.000000 Mn\n0.393506 0.000000 0.680465 Mn\n0.713041 0.319535 0.319535 Mn\n0.393507 0.680466 0.000000 Mn\n0.376585 0.376586 0.376585 Mn\n0.000000 0.000000 0.623414 Mn\n0.000000 0.623415 0.000000 Mn\n0.623414 0.000000 -0.000000 Mn\n0.680465 0.000000 0.393506 Mn\n0.623663 0.822001 0.623663 Mn\n",
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"elements": [
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"Mn"
],
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"formula_full": "Yb1 Mn28",
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"formula_anonymous": "AB28",
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"spacegroup": 217
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{
"id": "jvasp-118841",
"created_at": "2022-09-04T14:38:48.798903Z",
"updated_at": "2022-09-04T14:38:48.798921Z",
"structure_string": "Ca1 As1 N1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nCa As N\n1 1 1\ndirect\n0.337410 0.001557 0.000000 Ca\n-0.014593 -0.080751 0.000000 As\n0.003040 0.286904 0.000000 N\n",
"nsites": 3,
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"elements": [
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],
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"density_atomic": 0.015014551905253628,
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{
"id": "jvasp-120729",
"created_at": "2022-09-04T14:38:48.803263Z",
"updated_at": "2022-09-04T14:38:48.803278Z",
"structure_string": "Dy8 Si12 Pd4\n1.0\n8.161605 -0.000000 0.000000\n-4.080802 7.068158 0.000000\n-0.000000 -0.000000 8.072088\nDy Si Pd\n8 12 4\ndirect\n0.499989 -0.000022 0.250000 Dy\n0.500011 0.000022 0.750000 Dy\n0.000022 0.500011 0.250000 Dy\n-0.000022 0.499989 0.750000 Dy\n0.499990 0.500011 0.250000 Dy\n0.500011 0.499989 0.750000 Dy\n0.000000 0.000000 0.250000 Dy\n0.000000 0.000000 0.750000 Dy\n0.165543 0.834458 0.500010 Si\n0.834458 0.165543 0.499990 Si\n0.668915 0.834458 0.500010 Si\n0.834458 0.165543 0.000010 Si\n0.331086 0.165543 0.499990 Si\n0.165543 0.834458 -0.000010 Si\n0.834458 0.668915 0.499990 Si\n0.331086 0.165543 0.000010 Si\n0.668915 0.834458 -0.000010 Si\n0.834458 0.668915 0.000010 Si\n0.165543 0.331086 -0.000010 Si\n0.165543 0.331086 0.500010 Si\n0.666667 0.333333 0.499966 Pd\n0.333334 0.666667 -0.000034 Pd\n0.666667 0.333333 0.000034 Pd\n0.333334 0.666667 0.500034 Pd\n",
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"formula_full": "Dy8 Si12 Pd4",
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{
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"updated_at": "2022-09-04T14:38:48.804375Z",
"structure_string": "Nb1 Fe1 F6\n1.0\n4.668555 0.103027 3.179269\n1.735315 4.335285 3.179269\n0.148653 0.103027 5.646331\nNb Fe F\n1 1 6\ndirect\n0.499999 0.500001 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n0.120200 0.383578 0.748841 F\n0.383577 0.748842 0.120200 F\n0.748840 0.120202 0.383577 F\n0.879798 0.616424 0.251159 F\n0.616421 0.251160 0.879799 F\n0.251158 0.879801 0.616422 F\n",
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"volume": 110.30855107843949,
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"formula_full": "Nb1 Fe1 F6",
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{
"id": "jvasp-113696",
"created_at": "2022-09-04T14:38:48.804794Z",
"updated_at": "2022-09-04T14:38:48.804826Z",
"structure_string": "Sc1 Al1 O2\n1.0\n1.573638 0.908540 6.791275\n-1.573638 0.908540 6.791275\n0.000000 -1.817081 6.791275\nSc Al O\n1 1 2\ndirect\n-0.001749 -0.001749 -0.001743 Sc\n0.182350 0.182350 0.182351 Al\n0.269327 0.269327 0.269329 O\n0.709065 0.709065 0.709069 O\n",
"nsites": 4,
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"elements": [
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"Al",
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{
"id": "jvasp-117542",
"created_at": "2022-09-04T14:38:48.816896Z",
"updated_at": "2022-09-04T14:38:48.816913Z",
"structure_string": "Ba2 C2\n1.0\n8.236819 0.986236 -0.128833\n7.087871 -3.460185 -0.059178\n0.932407 2.366882 -3.774484\nBa C\n2 2\ndirect\n0.034272 0.034074 0.592098 Ba\n0.089753 0.527099 0.953543 Ba\n0.474737 0.322501 0.215392 C\n0.649296 0.238656 0.330250 C\n",
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{
"id": "jvasp-117156",
"created_at": "2022-09-04T14:38:48.816973Z",
"updated_at": "2022-09-04T14:38:48.816991Z",
"structure_string": "Mn4 Tl4 O4 F16\n1.0\n7.689823 -0.186250 1.399126\n4.484675 6.249460 1.399126\n0.212805 0.105982 8.179185\nMn Tl O F\n4 4 4 16\ndirect\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.250022 0.749978 0.250001 Mn\n0.749979 0.250021 0.750001 Mn\n0.637171 0.137140 0.375669 Tl\n0.862860 0.362829 0.124332 Tl\n0.362830 0.862860 0.624332 Tl\n0.137141 0.637170 0.875670 Tl\n0.499087 -0.001007 0.798443 O\n0.001007 0.500913 0.701558 O\n0.500914 0.001006 0.201558 O\n-0.001006 0.499086 0.298443 O\n0.490855 0.632720 0.343479 F\n0.367281 0.509146 0.156522 F\n0.867243 0.009181 0.656525 F\n-0.009181 0.132756 0.843476 F\n0.132757 -0.009182 0.343476 F\n0.009182 0.867243 0.156525 F\n0.759964 0.740056 0.000045 F\n0.354543 0.854507 0.052908 F\n0.240036 0.259944 -0.000044 F\n0.740057 0.759963 0.500045 F\n0.645458 0.145492 0.947094 F\n0.854508 0.354542 0.552908 F\n0.632721 0.490854 0.843479 F\n0.145493 0.645457 0.447093 F\n0.259944 0.240036 0.499956 F\n0.509146 0.367280 0.656523 F\n",
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{
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"structure_string": "Pb1 C1 N2\n1.0\n3.797216 0.000000 0.000000\n0.000000 3.797216 0.000000\n0.000000 0.000000 4.880111\nPb C N\n1 1 2\ndirect\n0.500001 0.500001 0.514437 Pb\n0.000000 0.000000 0.122278 C\n0.000000 0.000000 0.369786 N\n0.500001 0.500001 0.003500 N\n",
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{
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"created_at": "2022-09-04T14:38:48.825093Z",
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"structure_string": "Nb6 Tl1 S8\n1.0\n9.760150 -0.000000 0.000000\n-4.880075 8.452538 0.000000\n-0.000000 -0.000000 3.396292\nNb Tl S\n6 1 8\ndirect\n0.040041 0.222603 -0.000000 Nb\n0.182563 0.959960 -0.000000 Nb\n0.777398 0.817438 -0.000000 Nb\n0.289459 0.444053 0.500000 Nb\n0.154595 0.710542 0.500000 Nb\n0.555947 0.845406 0.500000 Nb\n0.666667 0.333333 -0.000000 Tl\n0.319160 0.274809 -0.000000 S\n0.955650 0.680841 -0.000000 S\n0.725191 0.044351 -0.000000 S\n0.009433 0.392304 0.500000 S\n0.382872 0.990568 0.500000 S\n0.607697 0.617129 0.500000 S\n0.333334 0.666667 -0.000000 S\n0.000000 0.000000 0.500000 S\n",
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{
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"created_at": "2022-09-04T14:38:48.827771Z",
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