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{
"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",
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{
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"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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{
"id": "jvasp-118059",
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"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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"formula_full": "Sn2 H2 Cl2",
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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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"volume": 54.201483945402515,
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{
"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-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",
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{
"id": "jvasp-111989",
"created_at": "2022-09-04T14:38:52.586722Z",
"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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"formula_anonymous": "AB4C7",
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"spacegroup": 7
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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",
"nsites": 23,
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{
"id": "jvasp-123669",
"created_at": "2022-09-04T14:38:52.596298Z",
"updated_at": "2022-09-04T14:38:52.596327Z",
"structure_string": "Hg1 Se2\n1.0\n2.454608 -3.768489 -0.597334\n2.036305 3.526982 -0.000000\n-0.764608 0.441446 5.224453\nHg Se\n1 2\ndirect\n0.000000 0.333354 0.166667 Hg\n0.782240 0.724444 0.450446 Se\n0.217760 -0.057796 0.882888 Se\n",
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{
"id": "jvasp-119625",
"created_at": "2022-09-04T14:38:52.596928Z",
"updated_at": "2022-09-04T14:38:52.596955Z",
"structure_string": "Sr2 Cu18 Sn8\n1.0\n7.542253 -0.020194 -4.473137\n-2.456506 7.131028 -4.473137\n0.014443 0.020194 8.768941\nSr Cu Sn\n2 18 8\ndirect\n0.750000 0.750001 -0.000000 Sr\n0.250000 0.250000 -0.000000 Sr\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.499999 Cu\n0.299686 0.447482 0.747168 Cu\n0.700313 0.552518 0.252831 Cu\n0.200313 0.947483 0.147795 Cu\n0.799686 0.052518 0.852203 Cu\n0.552517 0.299686 0.852203 Cu\n0.947481 0.799687 0.747167 Cu\n0.447482 0.700314 0.147796 Cu\n0.281354 0.565917 0.499999 Cu\n0.052518 0.200314 0.252831 Cu\n0.218645 0.718645 0.284562 Cu\n0.934082 0.218645 0.499999 Cu\n0.718644 0.434083 0.499999 Cu\n0.434082 0.934083 0.715437 Cu\n0.781354 0.281355 0.715437 Cu\n0.065917 0.781355 0.499999 Cu\n0.565917 0.065918 0.284562 Cu\n0.440180 0.312573 0.499999 Sn\n0.059819 0.559819 0.872390 Sn\n0.687427 0.187428 0.127609 Sn\n0.559819 0.687428 0.499999 Sn\n0.187427 0.059819 0.500000 Sn\n0.940180 0.440181 0.127609 Sn\n0.312572 0.812572 0.872390 Sn\n0.812572 0.940181 0.499999 Sn\n",
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{
"id": "jvasp-118085",
"created_at": "2022-09-04T14:38:52.598032Z",
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"structure_string": "Sc1 N1 Cl1\n1.0\n4.252439 0.000000 -0.000000\n-2.126220 3.682721 0.000000\n0.000000 0.000000 3.883592\nSc N Cl\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sc\n0.333334 0.666667 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
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{
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"structure_string": "Bi1 O3\n1.0\n3.882863 0.139239 0.796281\n0.828400 -4.837596 1.141127\n-1.621411 1.022611 -3.491008\nBi O\n1 3\ndirect\n0.478505 0.708454 0.477045 Bi\n0.185136 0.813610 0.876454 O\n0.806531 0.377480 0.819359 O\n0.594859 0.265365 -0.081938 O\n",
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}