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{
"id": "jvasp-12239",
"created_at": "2022-09-04T14:38:10.268697Z",
"updated_at": "2022-09-04T14:38:10.268718Z",
"structure_string": "Ba1 Ni2 As2 O8\n1.0\n4.739554 -0.025583 6.859734\n2.120505 4.238805 6.859735\n-0.041658 -0.025587 8.337721\nBa Ni As O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.831060 0.831059 0.831060 Ni\n0.168940 0.168940 0.168941 Ni\n0.573878 0.573877 0.573878 As\n0.426122 0.426122 0.426122 As\n0.881027 0.212476 0.560970 O\n0.212476 0.560968 0.881029 O\n0.560970 0.881027 0.212476 O\n0.118973 0.787523 0.439031 O\n0.787524 0.439031 0.118972 O\n0.354039 0.354039 0.354039 O\n0.645961 0.645960 0.645961 O\n0.439030 0.118972 0.787525 O\n",
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"structure_string": "Li6 U1 O6\n1.0\n5.334619 -0.003641 -1.044804\n-1.268604 5.181584 -1.044807\n-0.002859 -0.003638 5.435970\nLi U O\n6 1 6\ndirect\n0.643260 0.354273 0.002572 Li\n0.356740 0.645726 0.997428 Li\n0.645728 0.997428 0.356740 Li\n0.997429 0.356739 0.645727 Li\n0.354273 0.002571 0.643260 Li\n0.002572 0.643260 0.354273 Li\n0.000000 0.000000 0.000000 U\n0.102829 0.730798 0.728396 O\n0.897172 0.269201 0.271604 O\n0.269202 0.271602 0.897172 O\n0.271604 0.897171 0.269201 O\n0.730799 0.728396 0.102829 O\n0.728397 0.102828 0.730799 O\n",
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"volume": 150.19417124203108,
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"formula_full": "Li6 U1 O6",
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{
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"created_at": "2022-09-04T14:38:10.259334Z",
"updated_at": "2022-09-04T14:38:10.259355Z",
"structure_string": "Li1 Hf1 Au2\n1.0\n-5.340362 -3.392619 -8.577384\n-3.427202 -1.530784 -0.639772\n-2.352560 1.584367 -2.538314\nLi Hf Au\n1 1 2\ndirect\n0.999999 0.000001 1.000000 Li\n0.499999 0.000001 1.000000 Hf\n0.776835 -0.035665 -0.035465 Au\n0.223164 1.035665 1.035466 Au\n",
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"spacegroup": 166
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{
"id": "jvasp-46786",
"created_at": "2022-09-04T14:38:10.255246Z",
"updated_at": "2022-09-04T14:38:10.255265Z",
"structure_string": "Mn6 O4 F4\n1.0\n0.000000 5.746452 -0.023242\n5.928382 0.000000 0.000000\n0.000000 -2.838885 -5.376525\nMn O F\n6 4 4\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.716443 0.933598 0.345624 Mn\n0.783555 0.433598 0.654374 Mn\n0.216443 0.566401 0.345625 Mn\n0.283555 0.066401 0.654374 Mn\n0.578730 0.619359 0.338409 O\n0.921267 0.119359 0.661590 O\n0.078731 0.880641 0.338409 O\n0.421268 0.380641 0.661590 O\n0.905822 0.346468 0.115145 F\n0.405823 0.153532 0.115145 F\n0.594175 0.846468 0.884854 F\n0.094176 0.653531 0.884854 F\n",
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"formula_full": "Mn6 O4 F4",
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{
"id": "jvasp-18322",
"created_at": "2022-09-04T14:38:10.251689Z",
"updated_at": "2022-09-04T14:38:10.251722Z",
"structure_string": "Na1 Bi1\n1.0\n3.441967 -0.000000 0.000000\n0.000000 3.441967 -0.000000\n0.000000 -0.000000 4.852030\nNa Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:38:10.247584Z",
"updated_at": "2022-09-04T14:38:10.247615Z",
"structure_string": "Rb2 H2 O2\n1.0\n0.000000 4.164277 -0.035168\n4.167365 0.000000 0.000000\n0.000000 -1.521652 -5.793460\nRb H O\n2 2 2\ndirect\n0.826945 0.749999 0.710749 Rb\n0.173056 0.250000 0.289251 Rb\n0.521764 0.749999 0.078572 H\n0.478238 0.250000 0.921428 H\n0.673507 0.749999 0.231308 O\n0.326495 0.250000 0.768692 O\n",
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{
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"created_at": "2022-09-04T14:38:10.243734Z",
"updated_at": "2022-09-04T14:38:10.243756Z",
"structure_string": "V2 P4 H12 O12\n1.0\n5.124725 3.966223 -3.228799\n-5.124725 3.966223 3.228799\n-0.004818 0.000000 7.491069\nV P H O\n2 4 12 12\ndirect\n0.239494 0.239494 0.750000 V\n0.760505 0.760505 0.250000 V\n0.567192 0.104006 0.213856 P\n0.104005 0.567192 0.286144 P\n0.432807 0.895994 0.786144 P\n0.895994 0.432807 0.713856 P\n0.721485 0.296101 0.610895 H\n0.296101 0.721485 0.889105 H\n0.278514 0.703898 0.389105 H\n0.826801 0.459614 0.847679 H\n0.459614 0.826801 0.652321 H\n0.703898 0.278515 0.110895 H\n0.540385 0.173199 0.347679 H\n0.144583 0.077848 0.378021 H\n0.077848 0.144583 0.121979 H\n0.855416 0.922152 0.621979 H\n0.922152 0.855417 0.878021 H\n0.173198 0.540385 0.152321 H\n0.041111 0.041111 0.250000 O\n0.958888 0.958888 0.750000 O\n0.916289 0.671878 0.142167 O\n0.671878 0.916289 0.357833 O\n0.083710 0.328122 0.857833 O\n0.649232 0.951298 0.951543 O\n0.951297 0.649232 0.548457 O\n0.048702 0.350767 0.451543 O\n0.350767 0.048702 0.048457 O\n0.444560 0.444560 0.750000 O\n0.328122 0.083710 0.642167 O\n0.555439 0.555439 0.250000 O\n",
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"formula_full": "V2 P4 H12 O12",
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{
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"created_at": "2022-09-04T14:38:10.242878Z",
"updated_at": "2022-09-04T14:38:10.242902Z",
"structure_string": "La1 Bi1\n1.0\n4.064675 0.000000 2.346741\n1.354892 3.832212 2.346741\n0.000000 0.000000 4.693483\nLa Bi\n1 1\ndirect\n0.500001 0.500000 0.499999 La\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "jvasp-19033",
"created_at": "2022-09-04T14:38:10.239449Z",
"updated_at": "2022-09-04T14:38:10.239473Z",
"structure_string": "Sn2 P14 Au6\n1.0\n0.000000 6.388321 -0.007486\n11.143644 0.000000 0.000000\n0.000000 -2.096028 -6.180800\nSn P Au\n2 14 6\ndirect\n0.688874 0.250000 0.961133 Sn\n0.311125 0.750000 0.038867 Sn\n0.719523 0.592529 0.804452 P\n0.280476 0.092529 0.195548 P\n0.834676 0.578390 0.166168 P\n0.165324 0.078390 0.833833 P\n0.165324 0.421610 0.833833 P\n0.719523 0.907470 0.804452 P\n0.834676 0.921610 0.166168 P\n0.201180 0.911496 0.290333 P\n0.798820 0.411496 0.709668 P\n0.798820 0.088504 0.709668 P\n0.201180 0.588503 0.290333 P\n0.736505 0.750000 0.286283 P\n0.263494 0.250000 0.713718 P\n0.280476 0.407470 0.195548 P\n0.069194 0.250000 0.317388 Au\n0.315586 0.599211 0.686215 Au\n0.684414 0.099211 0.313786 Au\n0.684414 0.400789 0.313786 Au\n0.315586 0.900788 0.686215 Au\n0.930806 0.750000 0.682613 Au\n",
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"updated_at": "2022-09-04T14:38:10.238290Z",
"structure_string": "Sr1 Sn2 As2\n1.0\n4.162438 0.001245 8.420184\n1.968560 3.667514 8.420184\n0.002081 0.001245 9.392836\nSr Sn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.210417 0.210416 0.210417 Sn\n0.789585 0.789580 0.789584 Sn\n0.594730 0.594727 0.594730 As\n0.405272 0.405269 0.405271 As\n",
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"updated_at": "2022-09-04T14:38:10.237267Z",
"structure_string": "Sr6 Y2 Al4 O15\n1.0\n0.000000 -5.756646 0.000000\n-8.821481 2.878323 0.119683\n0.001004 0.000000 -7.746918\nSr Y Al O\n6 2 4 15\ndirect\n0.687218 0.348235 0.504723 Sr\n0.338983 0.651765 0.495278 Sr\n0.691670 0.319767 0.968607 Sr\n0.371904 0.680235 0.031394 Sr\n0.962610 0.000000 0.000000 Sr\n0.901920 0.000000 0.500000 Sr\n0.851471 0.686863 0.753528 Y\n0.164608 0.313137 0.246472 Y\n0.454189 0.974682 0.772747 Al\n0.479507 0.025319 0.227254 Al\n0.829651 0.619840 0.243707 Al\n0.209811 0.380161 0.756294 Al\n0.221940 0.084065 0.271456 O\n0.851207 0.682168 0.463608 O\n0.654514 0.142805 0.692146 O\n0.511709 0.857196 0.307855 O\n0.137875 0.915935 0.728544 O\n0.580755 0.822350 0.739741 O\n0.137968 0.273895 0.949587 O\n0.055758 0.520785 0.772759 O\n0.534974 0.479215 0.227241 O\n0.527694 0.480860 0.767745 O\n0.046834 0.519140 0.232254 O\n0.169038 0.317832 0.536393 O\n0.864075 0.726106 0.050414 O\n0.758405 0.177650 0.260259 O\n0.474528 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:10.236390Z",
"updated_at": "2022-09-04T14:38:10.236419Z",
"structure_string": "Ba4 In4 O10\n1.0\n5.705268 0.000000 -1.910038\n-0.671025 5.809178 -2.004346\n0.006982 -0.011672 9.496671\nBa In O\n4 4 10\ndirect\n0.589293 0.123955 0.218491 Ba\n0.089292 0.594537 0.218490 Ba\n0.870801 0.405463 0.781509 Ba\n0.370800 0.876046 0.781509 Ba\n0.975304 -0.000000 -0.000000 In\n0.475303 0.500000 -0.000000 In\n0.255212 0.187755 0.500000 In\n0.755212 0.812246 0.499999 In\n0.737435 0.753828 0.016430 O\n0.100221 0.880931 0.500000 O\n0.237435 0.762604 0.016430 O\n0.089317 0.191417 0.274606 O\n0.814711 0.808583 0.725394 O\n0.589317 0.583189 0.274605 O\n0.314711 0.416812 0.725394 O\n0.600222 0.119070 0.500000 O\n0.221004 0.237397 0.983569 O\n0.721004 0.246173 0.983569 O\n",
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}