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{
"id": "jvasp-11013",
"created_at": "2022-09-04T14:37:18.425825Z",
"updated_at": "2022-09-04T14:37:18.425851Z",
"structure_string": "Ca2 Ti4 O10\n1.0\n3.632584 0.000000 0.000000\n0.000000 4.897615 0.000000\n0.000000 0.000000 11.653018\nCa Ti O\n2 4 10\ndirect\n0.000000 0.144200 0.000000 Ca\n0.500000 0.855801 0.500000 Ca\n0.500000 0.611495 0.847313 Ti\n0.000000 0.388506 0.652687 Ti\n0.000000 0.388506 0.347313 Ti\n0.500000 0.611495 0.152687 Ti\n0.000000 0.531437 0.500000 O\n0.500000 0.468564 0.000000 O\n0.000000 0.470922 0.826191 O\n0.500000 0.529079 0.673809 O\n0.000000 0.470922 0.173809 O\n0.500000 0.529079 0.326191 O\n0.500000 0.957932 0.123927 O\n0.000000 0.042069 0.376073 O\n0.000000 0.042069 0.623927 O\n0.500000 0.957932 0.876073 O\n",
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{
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"structure_string": "Ca2 Co4 O10\n1.0\n0.000000 5.043655 -0.000365\n3.451490 0.000000 0.000000\n0.000000 -0.000662 -11.218617\nCa Co O\n2 4 10\ndirect\n0.112667 0.500000 0.249997 Ca\n0.887331 0.000000 0.750002 Ca\n0.584105 0.000000 0.098529 Co\n0.415898 0.500000 0.901471 Co\n0.415900 0.500000 0.598531 Co\n0.584096 0.000000 0.401469 Co\n0.548750 0.500000 0.750000 O\n0.451249 0.000000 0.249999 O\n0.408205 0.500000 0.069172 O\n0.591799 0.000000 0.930829 O\n0.408194 0.500000 0.430830 O\n0.591800 0.000000 0.569170 O\n0.915904 0.000000 0.369547 O\n0.084093 0.500000 0.630454 O\n0.084089 0.500000 0.869557 O\n0.915912 0.000000 0.130444 O\n",
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{
"id": "jvasp-10922",
"created_at": "2022-09-04T14:37:18.953693Z",
"updated_at": "2022-09-04T14:37:18.953708Z",
"structure_string": "Mg2 V4 O10\n1.0\n0.000000 4.837904 -0.000236\n3.377147 0.000000 0.000000\n0.000000 -0.000687 -11.496709\nMg V O\n2 4 10\ndirect\n0.179170 0.500000 0.250021 Mg\n0.820829 0.000000 0.750018 Mg\n0.613638 0.000000 0.098739 V\n0.386353 0.500000 0.901258 V\n0.386354 0.500000 0.598736 V\n0.613650 0.000000 0.401261 V\n0.563224 0.500000 0.750000 O\n0.436775 0.000000 0.250001 O\n0.433800 0.500000 0.075012 O\n0.566205 0.000000 0.924980 O\n0.433797 0.500000 0.424980 O\n0.566196 0.000000 0.575012 O\n0.949163 0.000000 0.365500 O\n0.050847 0.500000 0.634493 O\n0.050842 0.500000 0.865493 O\n0.949148 0.000000 0.134500 O\n",
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{
"id": "jvasp-10924",
"created_at": "2022-09-04T14:37:19.240486Z",
"updated_at": "2022-09-04T14:37:19.240508Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n0.000000 4.478341 -0.000128\n3.490365 0.000000 0.000000\n0.000000 -0.000397 -11.446555\nMg Mn O\n2 4 10\ndirect\n0.092230 0.499999 0.750008 Mg\n0.907770 0.000000 0.249993 Mg\n0.550404 0.000000 0.900830 Mn\n0.449595 0.499999 0.099171 Mn\n0.449597 0.499999 0.400826 Mn\n0.550403 0.000000 0.599174 Mn\n0.594255 0.499999 0.249998 O\n0.405745 0.000000 0.750002 O\n0.432736 0.499999 0.923859 O\n0.567263 0.000000 0.076142 O\n0.432723 0.499999 0.576145 O\n0.567277 0.000000 0.423856 O\n0.923419 0.000000 0.633992 O\n0.076581 0.499999 0.366009 O\n0.076576 0.499999 0.133982 O\n0.923423 0.000000 0.866019 O\n",
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{
"id": "jvasp-80528",
"created_at": "2022-09-04T14:37:19.274363Z",
"updated_at": "2022-09-04T14:37:19.274381Z",
"structure_string": "Mg2 Zn2\n1.0\n3.080456 0.000000 0.000000\n0.000000 4.946629 0.000000\n0.000000 0.000000 4.856005\nMg Zn\n2 2\ndirect\n0.000000 0.000000 0.106095 Mg\n0.500001 0.500000 0.893906 Mg\n0.500001 0.000000 0.602137 Zn\n0.000000 0.500000 0.397864 Zn\n",
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"elements": [
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{
"id": "jvasp-12074",
"created_at": "2022-09-04T14:37:19.430678Z",
"updated_at": "2022-09-04T14:37:19.430694Z",
"structure_string": "Ti2 Cl2 O2\n1.0\n3.256701 -0.000000 0.000000\n0.000000 4.016336 0.000000\n0.000000 0.000000 7.511040\nTi Cl O\n2 2 2\ndirect\n0.750000 0.250000 0.094273 Ti\n0.250000 0.750001 0.905727 Ti\n0.750000 0.750001 0.667691 Cl\n0.250000 0.250000 0.332309 Cl\n0.250000 0.250000 0.921662 O\n0.750000 0.750001 0.078338 O\n",
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"volume": 98.2444442668816,
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"formula_full": "Ti2 Cl2 O2",
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"spacegroup": 59
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{
"id": "jvasp-10925",
"created_at": "2022-09-04T14:37:19.536971Z",
"updated_at": "2022-09-04T14:37:19.536997Z",
"structure_string": "V4 Zn2 O10\n1.0\n0.000000 4.841631 -0.000536\n3.397639 0.000000 0.000000\n0.000000 -0.000224 -11.618512\nV Zn O\n4 2 10\ndirect\n0.604423 0.500000 0.099084 V\n0.395570 0.000000 0.900914 V\n0.395597 0.000000 0.599093 V\n0.604414 0.500000 0.400907 V\n0.167991 0.000000 0.250008 Zn\n0.832010 0.500000 0.750007 Zn\n0.576381 0.000000 0.750000 O\n0.423619 0.500000 0.250001 O\n0.435465 0.000000 0.072690 O\n0.564529 0.500000 0.927308 O\n0.435468 0.000000 0.427315 O\n0.564540 0.500000 0.572682 O\n0.939255 0.500000 0.366047 O\n0.060754 0.000000 0.633948 O\n0.060744 0.000000 0.866063 O\n0.939248 0.500000 0.133933 O\n",
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"spacegroup": 59
},
{
"id": "jvasp-11347",
"created_at": "2022-09-04T14:37:19.638726Z",
"updated_at": "2022-09-04T14:37:19.638750Z",
"structure_string": "Ca2 Mn4 S10\n1.0\n0.000000 6.703719 -0.001073\n4.066428 0.000000 0.000000\n0.000000 -0.001897 -13.467080\nCa Mn S\n2 4 10\ndirect\n0.071335 0.500000 0.249993 Ca\n0.928656 0.000000 0.750004 Ca\n0.504454 0.000000 0.097964 Mn\n0.495553 0.500000 0.902041 Mn\n0.495551 0.500000 0.597959 Mn\n0.504455 0.000000 0.402038 Mn\n0.648930 0.500000 0.750000 S\n0.351073 0.000000 0.250002 S\n0.331596 0.500000 0.053413 S\n0.668403 0.000000 0.946587 S\n0.331599 0.500000 0.446587 S\n0.668402 0.000000 0.553411 S\n0.825961 0.000000 0.330009 S\n0.174037 0.500000 0.669989 S\n0.174035 0.500000 0.830014 S\n0.825955 0.000000 0.169986 S\n",
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"formula_full": "Ca2 Mn4 S10",
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{
"id": "jvasp-10926",
"created_at": "2022-09-04T14:37:19.725513Z",
"updated_at": "2022-09-04T14:37:19.725523Z",
"structure_string": "Cr4 O10\n1.0\n3.563138 0.000000 0.000000\n0.000000 4.551040 0.000000\n0.000000 0.000000 11.086914\nCr O\n4 10\ndirect\n0.000000 0.880889 0.849112 Cr\n0.500000 0.119126 0.650898 Cr\n0.500000 0.119111 0.349112 Cr\n0.000000 0.880874 0.150898 Cr\n0.500000 0.993603 0.817655 O\n0.000000 0.006411 0.682354 O\n0.000000 0.006397 0.317655 O\n0.500000 0.993589 0.182354 O\n0.000000 0.534917 0.146871 O\n0.500000 0.465072 0.353135 O\n0.500000 0.465083 0.646871 O\n0.500000 0.010887 0.500005 O\n0.000000 -0.010887 0.000005 O\n0.000000 0.534928 0.853134 O\n",
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"volume": 179.7852151941598,
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"spacegroup": 59
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{
"id": "jvasp-12869",
"created_at": "2022-09-04T14:37:27.159869Z",
"updated_at": "2022-09-04T14:37:27.159889Z",
"structure_string": "Li10 Al2 O8\n1.0\n4.606885 0.000000 0.000000\n-0.000000 6.301021 0.000000\n0.000000 0.000000 6.426550\nLi Al O\n10 2 8\ndirect\n0.745976 0.488930 0.446895 Li\n0.791722 0.250000 0.750000 Li\n0.745976 0.488930 0.053105 Li\n0.745976 0.011070 0.446895 Li\n0.254023 0.988929 0.946895 Li\n0.208277 0.750000 0.250000 Li\n0.254023 0.511070 0.946895 Li\n0.254023 0.988929 0.553105 Li\n0.745976 0.011070 0.053105 Li\n0.254023 0.511070 0.553105 Li\n0.225696 0.250000 0.250000 Al\n0.774303 0.750000 0.750000 Al\n0.014662 0.250000 0.483405 O\n0.014662 0.250000 0.016595 O\n0.566908 0.987671 0.750000 O\n0.566908 0.512329 0.750000 O\n0.433091 0.487671 0.250000 O\n0.433091 0.012329 0.250000 O\n0.985337 0.750000 0.983405 O\n0.985337 0.750000 0.516596 O\n",
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"formula_full": "Li10 Al2 O8",
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{
"id": "jvasp-9649",
"created_at": "2022-09-04T14:37:27.813892Z",
"updated_at": "2022-09-04T14:37:27.813913Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.731493 0.001119 -0.000081\n-0.001472 5.105427 0.003113\n0.000190 -0.012809 11.508467\nCa Sn O\n2 4 10\ndirect\n0.252142 0.778173 0.750213 Ca\n0.752127 0.225033 0.250246 Ca\n0.752157 0.309954 0.915097 Sn\n0.252140 0.693231 0.085355 Sn\n0.252107 0.693479 0.415298 Sn\n0.752123 0.309751 0.585151 Sn\n0.252126 0.542369 0.250296 O\n0.752134 0.460839 0.750161 O\n0.252149 0.492547 0.923361 O\n0.752141 0.510622 0.077093 O\n0.252115 0.492429 0.577088 O\n0.752106 0.510817 0.423366 O\n0.752091 -0.064057 0.615171 O\n0.252076 0.067303 0.385315 O\n0.252164 0.067070 0.115407 O\n0.752181 -0.063901 0.885081 O\n",
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"formula_full": "Ca2 Sn4 O10",
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{
"id": "jvasp-9650",
"created_at": "2022-09-04T14:37:28.477941Z",
"updated_at": "2022-09-04T14:37:28.477975Z",
"structure_string": "Ta4 O10\n1.0\n0.000000 3.899677 -0.000173\n3.862664 0.000000 0.000000\n0.000000 -0.000624 -13.128144\nTa O\n4 10\ndirect\n0.021081 0.250000 0.604200 Ta\n0.978921 0.749999 0.395799 Ta\n0.978919 0.749999 0.104199 Ta\n0.021083 0.250000 0.895800 Ta\n0.001979 0.749999 0.564767 O\n0.998023 0.250000 0.435233 O\n0.998022 0.250000 0.064767 O\n0.001980 0.749999 0.935233 O\n0.507312 0.250000 0.899268 O\n0.492690 0.749999 0.100731 O\n0.492691 0.749999 0.399268 O\n0.995231 0.749999 0.250000 O\n0.004770 0.250000 0.749999 O\n0.507310 0.250000 0.600732 O\n",
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"formula_full": "Ta4 O10",
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}
]
}