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{
"id": "jvasp-8029",
"created_at": "2022-09-04T14:37:04.760702Z",
"updated_at": "2022-09-04T14:37:04.760738Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.024550 -0.000000 0.000000\n0.000000 4.024550 -0.000000\n0.000000 -0.000000 4.024550\nBa Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Mn4 Zn4 O8\n1.0\n3.092833 -0.201508 -0.116275\n0.888672 7.999566 -0.179261\n1.155461 0.024575 8.325241\nMn Zn O\n4 4 8\ndirect\n0.049444 0.241709 0.414413 Mn\n0.299933 0.401153 0.770706 Mn\n0.724118 0.578765 0.201091 Mn\n0.974677 0.738204 0.557386 Mn\n0.671820 0.072071 0.726409 Zn\n0.352132 0.907847 0.245391 Zn\n0.269806 0.737352 0.872621 Zn\n0.754328 0.242550 0.099169 Zn\n0.521085 0.725945 0.404163 O\n0.209921 0.382542 0.211209 O\n0.814122 0.597373 0.760582 O\n0.503005 0.253983 0.567631 O\n0.828096 0.062623 0.255565 O\n0.781778 0.257348 0.873600 O\n0.195863 0.917298 0.716246 O\n0.242248 0.722569 0.098195 O\n",
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{
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"created_at": "2022-09-04T14:38:49.930297Z",
"updated_at": "2022-09-04T14:38:49.930334Z",
"structure_string": "Na1 Ho1 F4\n1.0\n3.786252 -0.000000 0.000000\n0.000000 3.786252 0.000000\n-0.000000 -0.000000 5.456736\nNa Ho F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ho\n0.500000 0.000000 0.732404 F\n-0.000000 0.500000 0.267597 F\n0.500000 0.000000 0.267597 F\n-0.000000 0.500000 0.732404 F\n",
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"volume": 78.22615323443856,
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"spacegroup": 123
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{
"id": "jvasp-50399",
"created_at": "2022-09-04T14:35:55.406702Z",
"updated_at": "2022-09-04T14:35:55.406717Z",
"structure_string": "Ba2 Hf7 O16\n1.0\n6.454375 0.000000 -0.000000\n-3.227187 1.863218 9.034652\n3.227188 -5.589652 0.000000\nBa Hf O\n2 7 16\ndirect\n0.333983 0.001949 0.333983 Ba\n0.666016 0.998050 0.666016 Ba\n0.000000 0.000000 0.000000 Hf\n0.246965 0.650065 0.516633 Hf\n0.113532 0.349935 0.753034 Hf\n0.483367 0.349935 0.113532 Hf\n0.516633 0.650065 0.886467 Hf\n0.886467 0.650065 0.246965 Hf\n0.753034 0.349935 0.483367 Hf\n0.850272 0.588099 0.591496 O\n0.853669 0.411901 0.149727 O\n0.959789 0.864092 0.216266 O\n0.688034 0.864092 0.959789 O\n0.408504 0.411901 0.853669 O\n0.566590 0.699771 0.566590 O\n0.433409 0.300229 0.433409 O\n0.146331 0.588099 0.850272 O\n0.311965 0.135908 0.040210 O\n0.040210 0.135908 0.783733 O\n0.783733 0.135908 0.311965 O\n0.149728 0.411901 0.408504 O\n0.216266 0.864092 0.688034 O\n0.233353 0.700060 0.233353 O\n0.591496 0.588099 0.146330 O\n0.766646 0.299940 0.766646 O\n",
"nsites": 25,
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"volume": 325.9495559588381,
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{
"id": "jvasp-102151",
"created_at": "2022-09-04T14:36:38.946265Z",
"updated_at": "2022-09-04T14:36:38.946298Z",
"structure_string": "Dy2 O4\n1.0\n4.074412 0.000000 0.000000\n0.000000 4.032812 0.584418\n0.000000 -0.675285 4.663113\nDy O\n2 4\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.750000 Dy\n0.250000 0.749987 0.499954 O\n0.750000 0.250013 0.500046 O\n0.250000 0.750013 1.000000 O\n0.750000 0.249987 0.000000 O\n",
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"formula_full": "Dy2 O4",
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"spacegroup": 139
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{
"id": "jvasp-37997",
"created_at": "2022-09-04T14:37:52.179771Z",
"updated_at": "2022-09-04T14:37:52.179797Z",
"structure_string": "Sm1 Fe12\n1.0\n-0.000000 0.000000 4.289751\n-4.444778 4.444778 2.144876\n-4.444778 -4.444778 2.144876\nSm Fe\n1 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.261511 0.238489 0.238489 Fe\n0.500001 0.761511 0.238489 Fe\n0.738490 0.761511 0.761511 Fe\n0.500001 0.238489 0.761511 Fe\n0.224794 0.000000 0.550413 Fe\n0.775207 0.449587 0.000000 Fe\n0.775207 0.000000 0.449587 Fe\n0.224794 0.550413 0.000000 Fe\n0.366488 0.633513 0.633513 Fe\n0.000001 0.366488 0.633513 Fe\n0.633513 0.366488 0.366488 Fe\n0.000001 0.633513 0.366488 Fe\n",
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"density": 8.038323015854745,
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"volume": 169.49708309282505,
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"formula_full": "Sm1 Fe12",
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{
"id": "jvasp-111656",
"created_at": "2022-09-04T14:38:41.347679Z",
"updated_at": "2022-09-04T14:38:41.347724Z",
"structure_string": "Mn4 Te4 O12\n1.0\n5.482207 -0.000003 -0.000003\n-0.000018 6.123266 -0.000017\n-0.000063 -0.000016 7.768129\nMn Te O\n4 4 12\ndirect\n0.000005 0.500003 0.500000 Mn\n0.499986 0.000004 0.000002 Mn\n0.000010 0.500014 0.000001 Mn\n0.499995 -0.000006 0.500001 Mn\n0.013282 0.987164 0.750002 Te\n0.486720 0.487152 0.750002 Te\n0.513295 0.512836 0.250002 Te\n0.986709 0.012845 0.250002 Te\n0.636953 0.319371 0.430785 O\n0.636953 0.319380 0.069212 O\n0.363054 0.680616 0.930786 O\n0.363060 0.680609 0.569212 O\n0.136942 0.180628 0.930785 O\n0.330035 0.940987 0.250000 O\n0.830051 0.559016 0.750000 O\n0.669956 0.059014 0.750002 O\n0.863052 0.819392 0.069213 O\n0.169969 0.440981 0.250001 O\n0.136939 0.180619 0.569210 O\n0.863043 0.819383 0.430782 O\n",
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"formula_full": "Mn4 Te4 O12",
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{
"id": "jvasp-73931",
"created_at": "2022-09-04T14:35:51.546682Z",
"updated_at": "2022-09-04T14:35:51.546710Z",
"structure_string": "Ti1 Be1 V2\n1.0\n3.043706 0.000000 0.000000\n0.000000 3.043706 -0.000000\n0.000000 0.000000 5.629643\nTi Be V\n1 1 2\ndirect\n0.500001 0.500001 0.742328 Ti\n0.000000 0.000000 0.480899 Be\n0.000000 0.000000 0.020813 V\n0.500001 0.500001 0.255959 V\n",
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},
{
"id": "jvasp-116466",
"created_at": "2022-09-04T14:38:43.178767Z",
"updated_at": "2022-09-04T14:38:43.178804Z",
"structure_string": "P2 Pb2 O8\n1.0\n5.949969 -0.000000 0.000000\n0.000000 4.435676 0.002707\n-0.000000 -0.004012 5.928372\nP Pb O\n2 2 8\ndirect\n0.750027 0.500001 0.750000 P\n0.249973 0.500001 0.250000 P\n0.250030 0.000000 0.750000 Pb\n0.749970 0.000000 0.250000 Pb\n0.603049 0.712301 0.602709 O\n0.603049 0.287700 0.897291 O\n0.396951 0.287700 0.397292 O\n0.396951 0.712301 0.102709 O\n0.896989 0.287669 0.602703 O\n0.896989 0.712333 0.897297 O\n0.103012 0.712333 0.397297 O\n0.103012 0.287668 0.102703 O\n",
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"formula_full": "P2 Pb2 O8",
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{
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"created_at": "2022-09-04T14:37:03.570391Z",
"updated_at": "2022-09-04T14:37:03.570418Z",
"structure_string": "U1 Ni5\n1.0\n4.157569 0.000000 2.400374\n1.385857 3.919793 2.400374\n-0.000000 -0.000000 4.800747\nU Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Ni\n0.624139 0.624138 0.624137 Ni\n0.624139 0.624138 0.127584 Ni\n0.127586 0.624138 0.624138 Ni\n0.624139 0.127585 0.624138 Ni\n",
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{
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"updated_at": "2022-09-04T14:38:27.363922Z",
"structure_string": "Li2 Cr4 P4 O16\n1.0\n8.007624 0.000000 0.000000\n-0.000000 4.144721 2.480638\n-0.000000 0.217188 10.345343\nLi Cr P O\n2 4 4 16\ndirect\n0.827756 0.918021 0.128327 Li\n0.172243 0.918021 0.628327 Li\n0.442341 0.008116 0.980544 Cr\n0.557658 0.008116 0.480544 Cr\n0.889778 0.525904 0.517361 Cr\n0.110221 0.525904 0.017361 Cr\n0.072202 0.159032 0.832164 P\n0.927797 0.159032 0.332164 P\n0.462033 0.218549 0.168157 P\n0.537967 0.218549 0.668156 P\n0.758747 0.950253 0.385231 O\n0.033725 0.197415 0.677294 O\n0.912106 0.487542 0.318948 O\n0.087894 0.487542 0.818947 O\n0.966275 0.197415 0.177294 O\n0.954260 0.909907 0.961870 O\n0.692598 0.222146 0.571005 O\n0.428591 -0.043452 0.336143 O\n0.571409 -0.043452 0.836143 O\n0.483754 0.551186 0.152424 O\n0.516245 0.551186 0.652424 O\n0.045739 0.909907 0.461870 O\n0.397256 0.132594 0.590031 O\n0.307401 0.222145 0.071005 O\n0.602744 0.132593 0.090031 O\n0.241252 0.950253 0.885231 O\n",
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{
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"structure_string": "Al1 Si1 Ru2\n1.0\n-0.000090 2.965492 2.965492\n2.965492 -0.000090 2.965492\n2.965492 2.965492 -0.000090\nAl Si Ru\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Al\n0.749999 0.749999 0.749999 Si\n-0.000001 -0.000001 -0.000001 Ru\n0.500001 0.500001 0.500001 Ru\n",
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}
]
}