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{
"id": "jvasp-9176",
"created_at": "2022-09-04T14:38:33.000803Z",
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"structure_string": "Ga4 O6\n1.0\n2.986763 -0.000000 -0.742680\n-0.337531 5.698546 -1.357413\n0.001692 0.008009 6.383927\nGa O\n4 6\ndirect\n0.658830 0.313887 0.317663 Ga\n0.341168 0.686114 0.682338 Ga\n0.090521 0.794816 0.181042 Ga\n0.909478 0.205185 0.818959 Ga\n0.496323 0.255849 0.992649 O\n0.503676 0.744152 0.007352 O\n0.173257 0.562648 0.346514 O\n0.826742 0.437353 0.653486 O\n0.834812 0.890999 0.669626 O\n0.165187 0.109002 0.330375 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:03.289106Z",
"structure_string": "Li4 V2 F8\n1.0\n0.000000 3.184742 -0.018445\n9.533738 0.000000 0.000000\n0.000000 -0.029721 -5.011616\nLi V F\n4 2 8\ndirect\n0.499958 0.682994 0.988843 Li\n0.500042 0.182994 0.511157 Li\n0.499958 0.817006 0.488842 Li\n0.500042 0.317006 0.011157 Li\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000072 0.131361 0.672585 F\n0.000072 0.368639 0.172584 F\n0.499987 0.877373 0.850796 F\n0.499987 0.622627 0.350796 F\n0.500013 0.377373 0.649204 F\n0.500013 0.122627 0.149204 F\n-0.000071 0.631361 0.827417 F\n-0.000071 0.868640 0.327416 F\n",
"nsites": 14,
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],
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"density_atomic": 0.09200212616492104,
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"formula_full": "Li4 V2 F8",
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{
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"updated_at": "2022-09-04T14:38:03.416383Z",
"structure_string": "Ce1 Ni1 O3\n1.0\n3.787823 -0.000000 -0.000000\n-0.000000 3.787823 -0.000000\n-0.000000 0.000000 3.787823\nCe Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
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"volume": 54.34618093875321,
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"formula_full": "Ce1 Ni1 O3",
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},
{
"id": "jvasp-30559",
"created_at": "2022-09-04T14:37:13.567272Z",
"updated_at": "2022-09-04T14:37:13.567299Z",
"structure_string": "Ni1 O2\n1.0\n4.981402 -0.455608 -0.269848\n4.436691 2.310350 -0.269848\n4.436691 0.873735 2.155718\nNi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.600166 0.600168 0.600166 O\n0.399833 0.399834 0.399833 O\n",
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},
{
"id": "jvasp-117378",
"created_at": "2022-09-04T14:38:26.393333Z",
"updated_at": "2022-09-04T14:38:26.393361Z",
"structure_string": "Na2 Lu2 Ti4 O12\n1.0\n5.244559 -0.000000 0.000000\n0.000000 5.496092 0.000000\n-0.000000 -0.000000 7.541518\nNa Lu Ti O\n2 2 4 12\ndirect\n0.493242 0.711521 0.500000 Na\n0.993242 0.288479 -0.000000 Na\n0.020181 0.172994 0.500000 Lu\n0.520181 0.827006 -0.000000 Lu\n0.510924 0.265041 0.752266 Ti\n0.010924 0.734959 0.252265 Ti\n0.510924 0.265041 0.247735 Ti\n0.010924 0.734959 0.747735 Ti\n0.683888 0.561484 0.191929 O\n0.782549 0.037556 0.795295 O\n0.683888 0.561484 0.808072 O\n0.782549 0.037556 0.204706 O\n0.282549 0.962443 0.295294 O\n0.615617 0.279627 0.500000 O\n0.416238 0.220231 -0.000000 O\n0.115617 0.720373 -0.000000 O\n0.183888 0.438516 0.308071 O\n0.916238 0.779768 0.500000 O\n0.183888 0.438516 0.691929 O\n0.282549 0.962443 0.704706 O\n",
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],
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"density": 5.953515085785514,
"density_atomic": 0.09200432732239286,
"volume": 217.38107958681,
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},
{
"id": "jvasp-8247",
"created_at": "2022-09-04T14:36:42.635328Z",
"updated_at": "2022-09-04T14:36:42.635351Z",
"structure_string": "Ni1 O2\n1.0\n4.981408 -0.455606 -0.269846\n4.436698 2.310350 -0.269846\n4.436698 0.873736 2.155717\nNi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.600168 0.600167 0.600166 O\n0.399834 0.399834 0.399833 O\n",
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"formula_full": "Ni1 O2",
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"spacegroup": 166
},
{
"id": "jvasp-36346",
"created_at": "2022-09-04T14:37:27.602056Z",
"updated_at": "2022-09-04T14:37:27.602083Z",
"structure_string": "Pd1 C1\n1.0\n2.215096 2.215096 -0.000000\n2.215096 -0.000000 -2.215096\n-0.000000 2.215096 -2.215096\nPd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 C\n",
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"density": 9.047023939277219,
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"volume": 21.737402858082408,
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},
{
"id": "jvasp-97879",
"created_at": "2022-09-04T14:35:41.327949Z",
"updated_at": "2022-09-04T14:35:41.327979Z",
"structure_string": "Rb2 Na10 Be16 O22\n1.0\n6.457864 0.031670 0.077671\n3.154905 7.962608 4.104760\n-0.020299 0.046367 10.612109\nRb Na Be O\n2 10 16 22\ndirect\n0.751682 0.235332 0.061678 Rb\n0.248318 0.764668 0.938322 Rb\n0.749096 0.945441 0.973555 Na\n0.127773 0.860002 0.627967 Na\n0.741185 0.732834 0.539901 Na\n0.247729 0.553555 0.517846 Na\n0.909685 0.636830 0.857428 Na\n0.258815 0.267167 0.460099 Na\n0.090315 0.363171 0.142572 Na\n0.752270 0.446446 0.482153 Na\n0.872227 0.139999 0.372033 Na\n0.250903 0.054560 0.026445 Na\n0.505613 0.592378 0.746558 Be\n0.276360 0.386975 0.851882 Be\n0.039950 0.656231 0.215630 Be\n0.960050 0.343770 0.784370 Be\n0.093910 0.155204 0.701707 Be\n0.333023 0.718859 0.240433 Be\n0.218060 0.890409 0.355782 Be\n0.666976 0.281141 0.759567 Be\n0.614837 0.785037 0.272424 Be\n0.385163 0.214963 0.727575 Be\n0.781940 0.109591 0.644218 Be\n0.723640 0.613026 0.148118 Be\n0.446824 0.087830 0.275632 Be\n0.553176 0.912171 0.724368 Be\n0.906090 0.844797 0.298293 Be\n0.494387 0.407623 0.253442 Be\n0.516017 0.769336 0.137752 O\n0.564323 0.265636 0.623289 O\n0.711896 0.435693 0.208433 O\n0.694803 0.459509 0.720229 O\n0.305197 0.540491 0.279771 O\n0.930216 0.151887 0.823339 O\n0.785513 0.927336 0.716091 O\n0.068301 0.355392 0.914693 O\n0.288104 0.564308 0.791567 O\n0.931699 0.644609 0.085307 O\n0.638225 0.960853 0.243970 O\n0.530425 0.758686 0.718461 O\n0.877025 0.657368 0.335883 O\n0.122975 0.342633 0.664117 O\n0.361775 0.039148 0.756030 O\n0.018008 0.851303 0.428592 O\n0.469575 0.241315 0.281539 O\n0.069783 0.848113 0.176661 O\n0.483983 0.230665 0.862248 O\n0.435677 0.734364 0.376711 O\n0.214486 0.072665 0.283909 O\n0.981992 0.148698 0.571408 O\n",
"nsites": 50,
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},
{
"id": "jvasp-42567",
"created_at": "2022-09-04T14:36:12.966899Z",
"updated_at": "2022-09-04T14:36:12.966925Z",
"structure_string": "Li2 Mg2 Mn1 Fe1 P4 O16\n1.0\n4.783543 -0.008854 0.002133\n-0.068369 5.900800 -0.000052\n-0.123612 -0.012911 10.010835\nLi Mg Mn Fe P O\n2 2 1 1 4 16\ndirect\n-0.000975 0.539382 -0.008305 Li\n0.489820 0.958365 0.492966 Li\n0.028803 0.748985 0.277966 Mg\n0.472820 0.749592 0.776293 Mg\n0.554867 0.250114 0.218681 Mn\n0.968372 0.247530 0.723763 Fe\n0.919337 0.747868 0.595258 P\n0.572951 0.751973 0.094436 P\n0.093550 0.251710 0.400844 P\n0.415154 0.249300 0.907039 P\n0.679675 0.751023 0.951432 O\n0.789494 0.545087 0.676405 O\n0.770006 0.241594 0.380558 O\n0.732684 0.262682 0.890468 O\n0.709261 0.953199 0.176503 O\n0.726641 0.545768 0.166381 O\n0.337378 0.247108 0.057653 O\n0.228608 0.452682 0.326373 O\n0.273845 0.049734 0.829750 O\n0.257509 0.738735 0.105671 O\n0.236117 0.761499 0.607679 O\n0.771410 0.956555 0.666929 O\n0.237807 0.039342 0.339647 O\n0.161909 0.252085 0.551895 O\n0.260764 0.457552 0.842657 O\n0.812188 0.750545 0.451052 O\n",
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{
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"structure_string": "Zn2 H16 C4 S4 N12\n1.0\n6.631783 0.000000 -1.981988\n0.000000 14.920772 0.000000\n-0.049822 0.000000 4.188360\nZn H C S N\n2 16 4 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.220656 0.529197 0.405444 H\n0.279344 0.029197 0.594556 H\n0.779344 0.470802 0.594555 H\n0.720656 0.970802 0.405444 H\n0.246662 0.626336 0.607448 H\n0.253338 0.126336 0.392552 H\n0.753338 0.373664 0.392551 H\n0.746662 0.873664 0.607448 H\n0.366948 0.658984 0.186750 H\n0.133052 0.158984 0.813249 H\n0.633052 0.341016 0.813249 H\n0.866948 0.841016 0.186750 H\n0.577612 0.628262 0.476313 H\n0.922388 0.128262 0.523686 H\n0.422388 0.371738 0.523687 H\n0.077612 0.871738 0.476313 H\n0.125019 0.373683 0.048568 C\n0.374982 0.873683 0.951431 C\n0.625018 0.126317 0.048568 C\n0.874981 0.626316 0.951431 C\n0.492256 0.207627 0.130519 S\n0.007744 0.707627 0.869481 S\n0.507743 0.792373 0.869480 S\n0.992256 0.292373 0.130519 S\n0.276597 0.933787 0.006075 N\n0.776597 0.566213 0.006075 N\n0.723403 0.066213 0.993924 N\n0.325917 0.574041 0.543264 N\n0.174084 0.074041 0.456736 N\n0.440367 0.605390 0.327684 N\n0.825916 0.925959 0.543263 N\n0.059633 0.105390 0.672316 N\n0.559633 0.394610 0.672316 N\n0.940367 0.894610 0.327683 N\n0.674083 0.425959 0.456736 N\n0.223403 0.433787 0.993925 N\n",
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{
"id": "jvasp-57720",
"created_at": "2022-09-04T14:38:34.388760Z",
"updated_at": "2022-09-04T14:38:34.388798Z",
"structure_string": "Ce2 Al2 O6\n1.0\n4.635666 -0.009761 2.658014\n1.535310 4.374051 2.658014\n-0.013802 -0.009761 5.343618\nCe Al O\n2 2 6\ndirect\n0.750001 0.750000 0.749998 Ce\n0.250000 0.250000 0.249999 Ce\n0.500001 0.500000 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.292022 0.750000 0.207978 O\n0.750001 0.207979 0.292020 O\n0.207979 0.292022 0.750000 O\n0.707979 0.250000 0.792020 O\n0.792022 0.707979 0.249998 O\n0.250001 0.792021 0.707978 O\n",
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],
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}
]
}