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{
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{
"id": "jvasp-122063",
"created_at": "2022-09-04T14:38:52.590478Z",
"updated_at": "2022-09-04T14:38:52.590503Z",
"structure_string": "Na1 Nb6 O16\n1.0\n9.130681 0.021159 0.000000\n-3.123960 8.579665 0.000000\n-0.000000 -0.000000 3.921632\nNa Nb O\n1 6 16\ndirect\n0.400432 0.599569 0.500000 Na\n0.997872 0.002128 -0.000000 Nb\n0.213022 0.786979 -0.000000 Nb\n0.377857 0.261650 -0.000000 Nb\n0.738350 0.622143 -0.000000 Nb\n0.627524 0.002801 -0.000000 Nb\n-0.002800 0.372476 -0.000000 Nb\n0.830842 0.463174 -0.000000 O\n0.536827 0.169158 -0.000000 O\n0.146728 0.237529 -0.000000 O\n0.762471 0.853273 -0.000000 O\n0.181303 0.554838 -0.000000 O\n0.445162 0.818697 -0.000000 O\n0.987923 0.764044 -0.000000 O\n0.638023 0.006569 0.500000 O\n0.993431 0.361977 0.500000 O\n0.859106 0.140894 -0.000000 O\n0.712312 0.635346 0.500000 O\n0.364654 0.287688 0.500000 O\n0.226240 0.773761 0.500000 O\n0.001413 -0.001413 0.500000 O\n0.235957 0.012077 -0.000000 O\n0.513354 0.486646 -0.000000 O\n",
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{
"id": "jvasp-111989",
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"updated_at": "2022-09-04T14:38:52.586748Z",
"structure_string": "Mn8 O14 F2\n1.0\n5.413726 0.000000 0.000000\n0.000000 4.279912 2.351781\n0.000000 -0.006709 10.000135\nMn O F\n8 14 2\ndirect\n0.833822 0.248216 0.006044 Mn\n0.142059 0.725920 0.005053 Mn\n0.631467 0.520111 0.241487 Mn\n0.348690 0.997232 0.254729 Mn\n0.166178 0.248215 0.506043 Mn\n0.857942 0.725920 0.505053 Mn\n0.651311 0.997232 0.754729 Mn\n0.368534 0.520111 0.741487 Mn\n0.884675 0.689156 0.885253 O\n0.384120 0.715405 0.865580 O\n0.613616 0.218063 0.866127 O\n0.394679 0.289388 0.633673 O\n0.622073 0.789683 0.632075 O\n0.122319 0.808223 0.613882 O\n0.891213 0.295649 0.618498 O\n0.377928 0.789683 0.132076 O\n0.386385 0.218063 0.366127 O\n0.615881 0.715405 0.365581 O\n0.605322 0.289388 0.133673 O\n0.108788 0.295649 0.118498 O\n0.877682 0.808223 0.113883 O\n0.115325 0.689156 0.385254 O\n0.880481 0.202947 0.377594 F\n0.119520 0.202947 0.877594 F\n",
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"formula_full": "Mn8 O14 F2",
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{
"id": "jvasp-120010",
"created_at": "2022-09-04T14:38:52.582138Z",
"updated_at": "2022-09-04T14:38:52.582162Z",
"structure_string": "Ru1 C1 Br1\n1.0\n2.816639 0.000000 0.000000\n0.000000 2.816639 0.000000\n0.000000 0.000000 7.913776\nRu C Br\n1 1 1\ndirect\n0.000000 0.000000 -0.024447 Ru\n0.000000 0.000000 0.764426 C\n0.000000 0.000000 0.338922 Br\n",
"nsites": 3,
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"formula_full": "Ru1 C1 Br1",
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"spacegroup": 99
},
{
"id": "jvasp-120247",
"created_at": "2022-09-04T14:38:52.581701Z",
"updated_at": "2022-09-04T14:38:52.581733Z",
"structure_string": "Hf1 Se2\n1.0\n5.908582 -0.453771 0.110525\n-0.270075 -3.787197 -1.178457\n0.168988 1.171128 -3.793915\nHf Se\n1 2\ndirect\n0.915922 0.963975 0.866266 Hf\n0.651342 0.963850 0.367012 Se\n0.180377 0.464074 0.865999 Se\n",
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},
{
"id": "jvasp-118479",
"created_at": "2022-09-04T14:38:52.577827Z",
"updated_at": "2022-09-04T14:38:52.577843Z",
"structure_string": "Sb1 H1 O2\n1.0\n3.607124 0.000000 0.000000\n0.000000 3.607124 0.000000\n0.000000 -0.000000 4.165710\nSb H O\n1 1 2\ndirect\n0.500000 0.500000 0.533247 Sb\n0.000000 0.000000 0.831307 H\n0.000000 0.000000 0.593103 O\n0.500000 0.500000 0.052343 O\n",
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},
{
"id": "jvasp-118059",
"created_at": "2022-09-04T14:38:52.575962Z",
"updated_at": "2022-09-04T14:38:52.575987Z",
"structure_string": "Sn2 H2 Cl2\n1.0\n3.954020 -0.000000 -0.000000\n0.000000 3.954020 0.000000\n0.000000 0.000000 7.071682\nSn H Cl\n2 2 2\ndirect\n0.500000 0.000000 0.817050 Sn\n0.000000 0.500000 0.182950 Sn\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.657621 Cl\n0.500000 0.000000 0.342379 Cl\n",
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{
"id": "jvasp-120069",
"created_at": "2022-09-04T14:38:52.573818Z",
"updated_at": "2022-09-04T14:38:52.573850Z",
"structure_string": "Ca2 Ta1 O3\n1.0\n0.000000 7.004552 2.321258\n2.320785 0.000000 2.321258\n2.320785 7.004552 0.000000\nCa Ta O\n2 1 3\ndirect\n0.898117 0.571555 0.428448 Ca\n0.571551 0.898121 0.101882 Ca\n0.234851 0.234855 0.765148 Ta\n0.395971 0.073695 0.926307 O\n0.073692 0.395974 0.604028 O\n0.734898 0.734901 0.265101 O\n",
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"volume": 75.46901499478551,
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"formula_full": "Ca2 Ta1 O3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 139
},
{
"id": "jvasp-119480",
"created_at": "2022-09-04T14:38:52.569589Z",
"updated_at": "2022-09-04T14:38:52.569618Z",
"structure_string": "Ta4 Ti2 O12\n1.0\n5.350590 0.002457 1.893228\n0.979224 5.260223 1.893228\n-0.004283 -0.003561 7.410144\nTa Ti O\n4 2 12\ndirect\n0.321128 0.321128 0.177568 Ta\n0.678872 0.678872 0.822432 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.346507 0.346507 0.650764 Ti\n0.653493 0.653493 0.349236 Ti\n0.383469 0.960080 0.330200 O\n0.616531 0.039920 0.669800 O\n0.299813 0.700186 0.000000 O\n0.960080 0.383470 0.330200 O\n0.094207 0.094207 0.702781 O\n0.905792 0.905793 0.297219 O\n0.434901 0.434902 0.356021 O\n0.700186 0.299814 0.000000 O\n0.565098 0.565098 0.643979 O\n0.229992 0.229992 0.969379 O\n0.770007 0.770008 0.030621 O\n0.039920 0.616531 0.669800 O\n",
"nsites": 18,
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{
"id": "jvasp-120007",
"created_at": "2022-09-04T14:38:52.562784Z",
"updated_at": "2022-09-04T14:38:52.562805Z",
"structure_string": "C1 Br1 N1\n1.0\n4.000115 -0.000000 0.000000\n-2.000058 3.464202 -0.000000\n-0.000000 0.000000 3.037267\nC Br N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 C\n0.000000 0.000000 0.000000 Br\n0.666668 0.333334 0.000000 N\n",
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{
"id": "jvasp-120530",
"created_at": "2022-09-04T14:38:52.559506Z",
"updated_at": "2022-09-04T14:38:52.559530Z",
"structure_string": "K4 Ag6 Sb6 S14\n1.0\n13.237749 0.061329 0.000000\n-10.137585 8.512997 0.000000\n-0.000000 -0.000000 6.810045\nK Ag Sb S\n4 6 6 14\ndirect\n0.485759 0.899512 0.686601 K\n0.899511 0.485759 0.686601 K\n0.514241 0.100489 0.186602 K\n0.100489 0.514242 0.186602 K\n0.682068 0.682068 0.366343 Ag\n0.317932 0.317932 0.866342 Ag\n0.403384 0.585998 0.629420 Ag\n0.585998 0.403384 0.629420 Ag\n0.596616 0.414002 0.129420 Ag\n0.414002 0.596616 0.129420 Ag\n0.152652 0.152652 0.330905 Sb\n0.761034 0.017485 0.188371 Sb\n0.847348 0.847348 0.830904 Sb\n0.238966 0.982515 0.688371 Sb\n0.982515 0.238966 0.688371 Sb\n0.017485 0.761035 0.188371 Sb\n0.696105 0.846947 0.613984 S\n0.846946 0.696106 0.613984 S\n0.477537 0.823536 0.195821 S\n0.823536 0.477538 0.195821 S\n0.522463 0.176464 0.695821 S\n0.176464 0.522463 0.695821 S\n0.801832 0.183643 0.928816 S\n0.198169 0.816358 0.428817 S\n0.816358 0.198169 0.428817 S\n0.385031 0.385031 0.518231 S\n0.614969 0.614969 0.018231 S\n0.153054 0.303895 0.113984 S\n0.183642 0.801832 0.928816 S\n0.303895 0.153054 0.113984 S\n",
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{
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"updated_at": "2022-09-04T14:38:52.559346Z",
"structure_string": "Yb4 Fe4 O12\n1.0\n5.168771 0.000000 0.000000\n0.000000 5.259405 0.000000\n-0.000000 -0.000000 7.357012\nYb Fe O\n4 4 12\ndirect\n0.010836 0.950212 0.750000 Yb\n0.510836 0.549787 0.250000 Yb\n0.489164 0.450212 0.750000 Yb\n0.989164 0.049787 0.250000 Yb\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.571391 0.010431 0.750000 O\n0.071391 0.489569 0.250000 O\n0.707913 0.291028 0.037282 O\n0.207914 0.208971 0.962717 O\n0.792086 0.791028 0.462717 O\n0.207914 0.208971 0.537282 O\n0.292086 0.708971 0.962717 O\n0.792086 0.791028 0.037282 O\n0.428609 0.989568 0.250000 O\n0.707913 0.291028 0.462717 O\n0.292086 0.708971 0.537282 O\n0.928609 0.510430 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:52.558899Z",
"updated_at": "2022-09-04T14:38:52.558933Z",
"structure_string": "Al2 As1\n1.0\n5.025771 -0.048827 0.340629\n3.525529 -3.579607 0.312439\n0.252826 -0.077600 -3.740801\nAl As\n2 1\ndirect\n0.447384 0.376780 0.335778 Al\n0.171140 0.101281 0.335981 Al\n0.984534 -0.085602 -0.164053 As\n",
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}
]
}