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{
"id": "jvasp-116338",
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"structure_string": "Ta1 Mn1 O4\n1.0\n-1.941667 1.941667 4.681133\n1.941667 -1.941667 4.681133\n1.941667 1.941667 -4.681133\nTa Mn O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750002 0.250000 0.500002 Mn\n0.961720 0.461718 0.500002 O\n0.786087 0.786087 0.000000 O\n0.538283 0.038281 0.500002 O\n0.213912 0.213912 0.000000 O\n",
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{
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"structure_string": "Nb1 Zn1 O4\n1.0\n3.292859 -3.479179 0.000000\n3.292859 3.479179 0.000000\n0.000000 0.000000 3.081127\nNb Zn O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Zn\n0.196953 0.196953 0.500000 O\n0.687860 0.312141 0.000000 O\n0.312141 0.687860 0.000000 O\n0.803048 0.803048 0.500000 O\n",
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{
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"structure_string": "Be2 Zn1 P1\n1.0\n2.602956 0.000000 -0.000000\n0.000000 2.602956 0.000000\n0.000000 0.000000 6.946491\nBe Zn P\n2 1 1\ndirect\n0.000000 0.000000 0.744581 Be\n0.000000 0.000000 0.255419 Be\n0.500001 0.500001 0.500000 Zn\n0.500001 0.500001 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:37:14.283627Z",
"updated_at": "2022-09-04T14:37:14.283646Z",
"structure_string": "Ca4 Fe4 O8\n1.0\n-3.263694 0.023108 -0.024718\n0.035408 7.740005 0.023734\n-0.046424 -2.475272 -7.460279\nCa Fe O\n4 4 8\ndirect\n0.754266 0.215842 0.057706 Ca\n0.269754 0.812367 0.922213 Ca\n0.274696 0.079185 0.674249 Ca\n0.749335 0.949017 0.305666 Ca\n0.247080 0.576969 0.184981 Fe\n0.207809 0.355751 0.436385 Fe\n0.816237 0.672448 0.543547 Fe\n0.777011 0.451247 0.794933 Fe\n0.310002 0.568277 0.669052 O\n0.246185 0.805069 0.428370 O\n0.777856 0.223125 0.551542 O\n0.714096 0.459927 0.310873 O\n0.768351 0.679994 0.057455 O\n0.250592 0.081091 0.181569 O\n0.255663 0.348207 0.922459 O\n0.773431 0.947109 0.798342 O\n",
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{
"id": "jvasp-101795",
"created_at": "2022-09-04T14:36:38.047886Z",
"updated_at": "2022-09-04T14:36:38.047915Z",
"structure_string": "H12 C24 S6\n1.0\n6.550367 0.208018 -1.240865\n-0.164483 7.890542 -0.250367\n0.166993 -0.074089 9.526559\nH C S\n12 24 6\ndirect\n0.212146 0.078904 0.965222 H\n0.954731 0.302004 0.900291 H\n0.848753 0.068494 0.037941 H\n0.348754 0.068494 0.537942 H\n0.588054 0.287720 0.972398 H\n0.088056 0.287721 0.472398 H\n0.454731 0.302004 0.400292 H\n0.255168 0.552031 0.630268 H\n0.812899 0.790604 0.962763 H\n0.312900 0.790605 0.462764 H\n0.712147 0.078905 0.465222 H\n0.755168 0.552031 0.130269 H\n0.004775 0.313155 0.683155 C\n0.504774 0.313154 0.183155 C\n0.977058 0.942301 0.295393 C\n0.477058 0.942300 0.795394 C\n0.856850 0.452075 0.643054 C\n0.183487 0.120793 0.856014 C\n0.683488 0.120794 0.356014 C\n0.038198 0.247704 0.820097 C\n0.538198 0.247705 0.320097 C\n0.800604 0.055948 0.255540 C\n0.356849 0.452074 0.143054 C\n0.300604 0.055947 0.755540 C\n0.261128 0.118313 0.617057 C\n0.115987 0.243218 0.580903 C\n0.163998 0.746827 0.475840 C\n0.663997 0.746826 0.975840 C\n0.615985 0.243217 0.080902 C\n0.632652 0.617027 0.063403 C\n0.927524 0.580218 0.559712 C\n0.132653 0.617028 0.563403 C\n0.984144 0.816006 0.402621 C\n0.484143 0.816005 0.902621 C\n0.761127 0.118313 0.117057 C\n0.427523 0.580218 0.059712 C\n0.630737 0.457144 0.693259 S\n0.773011 0.715359 0.447629 S\n0.273009 0.715358 0.947629 S\n0.183056 0.963987 0.220609 S\n0.683057 0.963986 0.720609 S\n0.130736 0.457144 0.193260 S\n",
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{
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"created_at": "2022-09-04T14:36:41.783663Z",
"updated_at": "2022-09-04T14:36:41.783684Z",
"structure_string": "Li3 Rh1 F6\n1.0\n4.763468 -0.000000 2.750189\n1.587823 4.491041 2.750189\n-0.000000 -0.000000 5.500379\nLi Rh F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n0.746539 0.253461 0.253461 F\n0.253461 0.253461 0.746539 F\n0.253461 0.746539 0.746540 F\n0.253461 0.746539 0.253461 F\n0.746539 0.253461 0.746539 F\n0.746539 0.746539 0.253461 F\n",
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"volume": 117.66922341653817,
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"formula_full": "Li3 Rh1 F6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-101828",
"created_at": "2022-09-04T14:36:54.456826Z",
"updated_at": "2022-09-04T14:36:54.456848Z",
"structure_string": "H4 C8 S4 O2\n1.0\n5.014094 0.010076 -0.029502\n-0.019260 6.174898 -0.989178\n0.024841 0.653462 6.736094\nH C S O\n4 8 4 2\ndirect\n0.654166 0.967673 0.861175 H\n0.653458 0.944576 0.606586 H\n0.654168 0.467850 0.361034 H\n0.653460 0.444566 0.106449 H\n0.392268 0.229816 0.238153 C\n0.392266 0.729722 0.738158 C\n0.153803 0.856131 0.738759 C\n0.153806 0.356223 0.238703 C\n0.915299 0.229808 0.238168 C\n0.653798 0.844194 0.736193 C\n0.915298 0.729715 0.738173 C\n0.653802 0.344284 0.236126 C\n0.948890 0.460252 0.739253 S\n0.948892 0.960352 0.239320 S\n0.358599 0.460259 0.739153 S\n0.358602 0.960358 0.239220 S\n0.153846 0.560702 0.239839 O\n0.153844 0.060619 0.739991 O\n",
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{
"id": "jvasp-55788",
"created_at": "2022-09-04T14:38:16.383247Z",
"updated_at": "2022-09-04T14:38:16.383269Z",
"structure_string": "Na6 Fe2 P2 C2 O14\n1.0\n0.000000 5.150618 -0.011981\n6.581879 0.000000 0.000000\n0.000000 -0.100819 -9.024482\nNa Fe P C O\n6 2 2 2 14\ndirect\n0.751400 0.999926 0.262746 Na\n0.248600 0.000074 0.737254 Na\n0.765768 0.250000 0.917842 Na\n0.234232 0.750000 0.082158 Na\n0.248600 0.499926 0.737254 Na\n0.751400 0.500074 0.262746 Na\n0.779263 0.750000 0.645149 Fe\n0.220737 0.250000 0.354851 Fe\n0.298573 0.750000 0.413063 P\n0.701428 0.250000 0.586937 P\n0.272136 0.250000 0.058953 C\n0.727864 0.750000 0.941047 C\n0.517273 0.750000 0.860956 O\n0.048253 0.250000 0.124755 O\n0.401212 0.250000 0.562060 O\n0.598789 0.750000 0.437940 O\n0.283488 0.250000 0.915796 O\n0.716513 0.750000 0.084203 O\n0.222607 0.561577 0.317329 O\n0.777393 0.061577 0.682671 O\n0.777393 0.438423 0.682671 O\n0.222607 0.938423 0.317329 O\n0.161818 0.750000 0.564203 O\n0.482727 0.250000 0.139043 O\n0.838182 0.250000 0.435797 O\n0.951747 0.750000 0.875244 O\n",
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{
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"updated_at": "2022-09-04T14:35:47.636284Z",
"structure_string": "Li2 Mn4 O4 F6\n1.0\n3.770927 -0.000833 0.002661\n-1.884215 4.809833 -0.072340\n-0.007566 -0.254889 10.385426\nLi Mn O F\n2 4 4 6\ndirect\n0.135885 0.274362 0.043149 Li\n0.863365 0.729265 0.956234 Li\n0.139321 0.281247 0.452116 Mn\n0.178888 0.360317 0.756270 Mn\n0.820365 0.643323 0.243117 Mn\n0.859887 0.722389 0.547272 Mn\n0.048546 0.099658 0.610770 O\n0.680203 0.363007 0.442497 O\n0.319013 0.640632 0.556896 O\n0.950675 0.903979 0.388618 O\n0.033781 0.070223 0.878456 F\n0.696708 0.395975 0.084527 F\n0.235485 0.473560 0.277602 F\n0.763752 0.530082 0.721788 F\n0.302542 0.607653 0.914863 F\n0.965583 0.933416 0.120932 F\n",
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{
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"created_at": "2022-09-04T14:37:57.245138Z",
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"structure_string": "Tm1 Fe2 B2\n1.0\n3.376781 -0.000000 -1.186779\n-0.417097 3.350922 -1.186779\n-0.054056 -0.061201 5.243614\nTm Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.249999 0.750000 0.499999 Fe\n0.749999 0.250000 0.499999 Fe\n0.651752 0.651753 0.303507 B\n0.348245 0.348247 0.696491 B\n",
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{
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{
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"created_at": "2022-09-04T14:36:33.539578Z",
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]
}