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{
"id": "jvasp-48276",
"created_at": "2022-09-04T14:35:49.300810Z",
"updated_at": "2022-09-04T14:35:49.300831Z",
"structure_string": "Li1 Mn1 P3 O9\n1.0\n5.141568 2.968485 2.308919\n-5.141568 2.968486 2.308919\n-0.000001 -5.936972 2.308919\nLi Mn P O\n1 1 3 9\ndirect\n0.359695 0.359694 0.359694 Li\n-0.024537 -0.024537 -0.024537 Mn\n0.044404 0.916597 0.486021 P\n0.916597 0.486022 0.044403 P\n0.486022 0.044404 0.916596 P\n0.273096 0.880377 0.643251 O\n0.088123 0.382236 0.136077 O\n0.630092 0.904017 0.966541 O\n0.904017 0.966543 0.630091 O\n0.136077 0.088123 0.382236 O\n0.880377 0.643252 0.273095 O\n0.382236 0.136077 0.088123 O\n0.966543 0.630092 0.904015 O\n0.643253 0.273096 0.880376 O\n",
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{
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"structure_string": "Ca4 Cr4 O12\n1.0\n5.277238 0.000000 0.000000\n0.000000 5.352945 0.000000\n0.000000 0.000000 7.483877\nCa Cr O\n4 4 12\ndirect\n0.008353 0.957891 0.750000 Ca\n0.508353 0.542109 0.250000 Ca\n0.491647 0.457890 0.750000 Ca\n0.991647 0.042108 0.250000 Ca\n0.500000 0.000000 0.500000 Cr\n0.000000 0.499999 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.499999 0.500000 Cr\n0.791110 0.790196 0.462077 O\n0.291109 0.709802 0.537924 O\n0.927379 0.514045 0.750000 O\n0.291109 0.709802 0.962076 O\n0.791110 0.790196 0.037923 O\n0.208891 0.209803 0.537924 O\n0.708891 0.290198 0.462077 O\n0.072621 0.485954 0.250000 O\n0.572621 0.014045 0.750000 O\n0.427379 0.985955 0.250000 O\n0.708891 0.290198 0.037923 O\n0.208891 0.209803 0.962076 O\n",
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"formula_full": "Ca4 Cr4 O12",
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{
"id": "jvasp-116781",
"created_at": "2022-09-04T14:38:33.609677Z",
"updated_at": "2022-09-04T14:38:33.609704Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.277239 0.000020 -0.000012\n-0.000021 5.352970 -0.000028\n0.000007 0.000037 7.483744\nCa Cr O\n4 4 12\ndirect\n0.991643 0.042138 0.249999 Ca\n0.491640 0.457861 0.750000 Ca\n0.508357 0.542143 0.249999 Ca\n0.008361 0.957857 0.750000 Ca\n0.500005 -0.000001 -0.000000 Cr\n-0.000004 0.500001 -0.000001 Cr\n0.000003 0.500004 0.500002 Cr\n0.499997 -0.000005 0.500001 Cr\n0.208867 0.209790 0.962074 O\n0.708866 0.290212 0.037926 O\n0.291135 0.709789 0.962074 O\n0.791136 0.790212 0.037926 O\n0.208865 0.209790 0.537925 O\n0.427386 0.985954 0.249999 O\n0.072615 0.485953 0.249999 O\n0.572617 0.014049 0.749999 O\n0.291134 0.709789 0.537925 O\n0.927384 0.514046 0.750000 O\n0.708865 0.290212 0.462074 O\n0.791134 0.790212 0.462074 O\n",
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{
"id": "jvasp-58376",
"created_at": "2022-09-04T14:37:27.479662Z",
"updated_at": "2022-09-04T14:37:27.479683Z",
"structure_string": "Zn6 As4\n1.0\n5.956945 0.000000 0.000000\n0.000000 5.956945 0.000000\n0.000000 0.000000 5.956945\nZn As\n6 4\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.250000 0.250000 0.250000 As\n0.750001 0.250000 0.750001 As\n0.750001 0.750001 0.250000 As\n0.250000 0.750001 0.750001 As\n",
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"formula_full": "Zn6 As4",
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{
"id": "jvasp-99034",
"created_at": "2022-09-04T14:36:32.192212Z",
"updated_at": "2022-09-04T14:36:32.192241Z",
"structure_string": "Li3 B3 Pt9\n1.0\n9.329298 0.000000 0.000000\n-4.664649 8.079409 -0.000000\n-0.000000 -0.000000 2.804317\nLi B Pt\n3 3 9\ndirect\n-0.000000 0.362137 0.000000 Li\n0.637863 0.637863 0.000000 Li\n0.362137 0.000000 0.000000 Li\n0.000000 0.000000 0.500001 B\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.681429 0.164917 0.500001 Pt\n0.483488 0.318571 0.500001 Pt\n0.835083 0.516512 0.500001 Pt\n0.164917 0.681429 0.500001 Pt\n0.318571 0.483488 0.500001 Pt\n0.516512 0.835083 0.500001 Pt\n-0.000000 0.822558 0.000000 Pt\n0.177442 0.177442 0.000000 Pt\n0.822558 0.000000 0.000000 Pt\n",
"nsites": 15,
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"density": 14.211335129203318,
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"volume": 211.37599462947844,
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"formula_full": "Li3 B3 Pt9",
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{
"id": "jvasp-64020",
"created_at": "2022-09-04T14:35:59.908975Z",
"updated_at": "2022-09-04T14:35:59.909001Z",
"structure_string": "Ba4 V1 Tc1\n1.0\n0.000000 4.727888 4.727888\n4.727888 0.000000 4.727888\n4.727888 4.727888 0.000000\nBa V Tc\n4 1 1\ndirect\n0.125993 0.624669 0.624669 Ba\n0.624669 0.624669 0.624669 Ba\n0.624669 0.125993 0.624669 Ba\n0.624669 0.624669 0.125993 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Tc\n",
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"spacegroup": 216
},
{
"id": "jvasp-50067",
"created_at": "2022-09-04T14:37:00.380748Z",
"updated_at": "2022-09-04T14:37:00.380769Z",
"structure_string": "Yb4 C4 O12\n1.0\n4.895195 -0.000417 -0.003193\n0.000116 5.560272 -0.000360\n0.005195 0.000355 7.765055\nYb C O\n4 4 12\ndirect\n0.249979 0.761897 0.914980 Yb\n0.750009 0.738103 0.414978 Yb\n0.249990 0.261897 0.585022 Yb\n0.750020 0.238103 0.085020 Yb\n0.250028 0.910534 0.264789 C\n0.749999 0.589468 0.764788 C\n0.250000 0.410532 0.235212 C\n0.749971 0.089466 0.735211 C\n0.749982 0.103315 0.569842 O\n0.249999 0.396681 0.069844 O\n0.478206 0.410031 0.319798 O\n0.021795 0.410029 0.319808 O\n0.978204 0.589971 0.680191 O\n0.021823 0.910040 0.180201 O\n0.750000 0.603319 0.930156 O\n0.250017 0.896684 0.430158 O\n0.978176 0.089960 0.819799 O\n0.478235 0.910025 0.180196 O\n0.521793 0.589969 0.680202 O\n0.521764 0.089975 0.819804 O\n",
"nsites": 20,
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{
"id": "jvasp-54743",
"created_at": "2022-09-04T14:38:18.183467Z",
"updated_at": "2022-09-04T14:38:18.183491Z",
"structure_string": "Zn4 H8 O8\n1.0\n0.000000 4.825981 -0.017585\n8.580348 0.000000 0.000000\n0.000000 -0.018190 -5.104011\nZn H O\n4 8 8\ndirect\n0.676532 0.632901 0.642287 Zn\n0.823493 0.380215 0.142204 Zn\n0.176507 0.880215 0.857795 Zn\n0.323468 0.132901 0.357712 Zn\n0.289072 0.416674 0.360030 H\n0.210968 0.596450 0.860155 H\n0.710928 0.916674 0.639969 H\n0.789031 0.096450 0.139844 H\n0.994585 0.909337 0.328935 H\n0.005415 0.409337 0.671064 H\n0.494687 0.603820 0.171181 H\n0.505313 0.103820 0.828818 H\n0.362879 0.675381 0.885270 O\n0.568666 0.533098 0.311597 O\n0.931442 0.480032 0.811538 O\n0.068558 0.980032 0.188461 O\n0.431334 0.033098 0.688402 O\n0.862855 0.837753 0.614863 O\n0.637121 0.175381 0.114729 O\n0.137145 0.337753 0.385136 O\n",
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"formula_full": "Zn4 H8 O8",
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{
"id": "jvasp-54739",
"created_at": "2022-09-04T14:38:12.287249Z",
"updated_at": "2022-09-04T14:38:12.287279Z",
"structure_string": "Zn4 H8 O8\n1.0\n4.825616 0.000000 0.000000\n0.000000 5.103708 0.000000\n0.000000 0.000000 8.581419\nZn H O\n4 8 8\ndirect\n0.573426 0.642397 0.123674 Zn\n0.426575 0.142397 0.376326 Zn\n0.073426 0.857604 0.876326 Zn\n0.926575 0.357603 0.623674 Zn\n0.961003 0.360290 0.339931 H\n0.038997 0.860290 0.160069 H\n0.538998 0.639710 0.839931 H\n0.461003 0.139710 0.660069 H\n0.255387 0.328711 0.847245 H\n0.244614 0.671289 0.347245 H\n0.755387 0.171289 0.152755 H\n0.744614 0.828712 0.652755 H\n0.887081 0.885364 0.081139 O\n0.681484 0.311741 0.223484 O\n0.318517 0.811741 0.276516 O\n0.181483 0.188260 0.776516 O\n0.818518 0.688260 0.723484 O\n0.387081 0.614636 0.918861 O\n0.612920 0.114636 0.581139 O\n0.112920 0.385364 0.418861 O\n",
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{
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"created_at": "2022-09-04T14:36:38.668438Z",
"updated_at": "2022-09-04T14:36:38.668469Z",
"structure_string": "Li4 Mn4 Cr2 O12\n1.0\n4.936634 0.015967 -0.000000\n-2.467033 4.276022 0.000000\n-0.000000 0.000000 9.993059\nLi Mn Cr O\n4 4 2 12\ndirect\n0.159916 0.659916 0.750000 Li\n0.340085 0.840084 0.250000 Li\n0.659915 0.159916 0.750000 Li\n0.840084 0.340085 0.250000 Li\n0.162944 0.837056 0.500000 Mn\n0.337056 0.662944 0.000000 Mn\n0.662944 0.337056 0.000000 Mn\n0.837056 0.162945 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.504640 0.160186 0.393080 O\n0.838279 0.838280 0.396997 O\n0.339814 0.995360 0.893080 O\n0.661721 0.661721 0.896997 O\n0.338279 0.338279 0.103003 O\n0.004640 0.660186 0.106920 O\n0.495360 0.839814 0.606920 O\n0.160186 0.504640 0.393080 O\n0.995360 0.339815 0.893080 O\n0.839814 0.495361 0.606920 O\n0.161721 0.161721 0.603003 O\n0.660186 0.004640 0.106920 O\n",
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"formula_full": "Li4 Mn4 Cr2 O12",
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{
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"created_at": "2022-09-04T14:37:19.373940Z",
"updated_at": "2022-09-04T14:37:19.373964Z",
"structure_string": "Ca4 Cr4 O10\n1.0\n0.000000 5.289397 -0.000072\n3.918151 0.000000 0.000000\n0.000000 -0.000341 -10.196716\nCa Cr O\n4 4 10\ndirect\n0.787170 0.500000 0.879245 Ca\n0.212833 0.500000 0.120755 Ca\n0.287171 0.500000 0.620758 Ca\n0.712830 0.500000 0.379243 Ca\n0.765274 0.000000 0.632235 Cr\n0.234726 0.000000 0.367766 Cr\n0.734725 0.000000 0.132232 Cr\n0.265276 0.000000 0.867767 Cr\n0.788475 0.500000 0.611806 O\n0.102200 0.000000 0.703429 O\n0.288475 0.500000 0.888196 O\n0.711524 0.500000 0.111803 O\n0.500001 0.000000 0.500000 O\n0.397807 0.000000 0.203433 O\n0.897803 0.000000 0.296571 O\n0.000002 0.000000 0.000001 O\n0.602195 0.000000 0.796568 O\n0.211523 0.500000 0.388195 O\n",
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"formula_full": "Ca4 Cr4 O10",
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{
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]
}