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"results": [
{
"id": "jvasp-12032",
"created_at": "2022-09-04T14:38:04.545994Z",
"updated_at": "2022-09-04T14:38:04.546007Z",
"structure_string": "Ti6 Cl18\n1.0\n6.019427 0.000000 0.080532\n3.009713 5.183051 0.040265\n-0.144477 0.000000 17.616810\nTi Cl\n6 18\ndirect\n0.328801 0.677642 0.333278 Ti\n0.671198 0.322358 0.666722 Ti\n0.338822 0.322356 0.000000 Ti\n0.993555 0.677642 0.666722 Ti\n0.661178 0.677644 0.000000 Ti\n0.006445 0.322358 0.333278 Ti\n0.999718 0.342260 0.078413 Cl\n0.667308 0.342261 0.411693 Cl\n0.325668 0.342249 0.254864 Cl\n0.011379 -0.000000 0.251006 Cl\n0.000281 0.657740 0.921587 Cl\n0.341978 0.657740 0.078413 Cl\n0.332691 0.657739 0.588307 Cl\n0.009569 0.657739 0.411693 Cl\n0.343707 -0.000000 0.917744 Cl\n0.990431 0.342261 0.588307 Cl\n0.656292 -0.000000 0.082256 Cl\n0.323832 -0.000000 0.415555 Cl\n0.676168 -0.000000 0.584445 Cl\n0.988621 -0.000000 0.748994 Cl\n0.674331 0.657750 0.745137 Cl\n0.658021 0.342260 0.921587 Cl\n0.332081 0.342249 0.745137 Cl\n0.667919 0.657750 0.254864 Cl\n",
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{
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"structure_string": "Li4 Cu4 S4\n1.0\n0.000000 -0.000000 4.703815\n5.089412 -5.089413 2.351908\n5.089413 5.089412 -2.351908\nLi Cu S\n4 4 4\ndirect\n0.249647 0.154240 0.153534 Li\n0.903889 0.846466 0.154240 Li\n0.596113 0.153534 0.845759 Li\n0.250353 0.845759 0.846466 Li\n0.901362 0.196844 0.499564 Cu\n0.598206 0.500435 0.196844 Cu\n0.901795 0.499564 0.803155 Cu\n0.598640 0.803155 0.500435 Cu\n0.749561 0.201522 0.200644 S\n0.451084 0.799356 0.201522 S\n0.048917 0.200644 0.798477 S\n0.750441 0.798477 0.799356 S\n",
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{
"id": "jvasp-107367",
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"updated_at": "2022-09-04T14:36:58.382734Z",
"structure_string": "Al2 Zn1 S4\n1.0\n3.666488 -0.000000 0.000000\n0.000000 6.124577 0.040891\n-0.000000 0.006266 6.550943\nAl Zn S\n2 1 4\ndirect\n0.500000 0.519120 0.171351 Al\n0.500000 0.975393 0.850082 Al\n-0.000000 0.510905 0.651717 Zn\n-0.000000 0.892169 0.654280 S\n0.500000 0.876831 0.170530 S\n0.500000 0.363823 0.843508 S\n-0.000000 0.361763 0.325180 S\n",
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},
{
"id": "jvasp-43610",
"created_at": "2022-09-04T14:37:09.197247Z",
"updated_at": "2022-09-04T14:37:09.197268Z",
"structure_string": "Na12 Mn2 O8\n1.0\n7.484752 0.000000 0.000000\n0.000000 7.484752 0.000000\n0.000000 0.000000 5.448262\nNa Mn O\n12 2 8\ndirect\n0.787844 0.787844 0.000000 Na\n0.712155 0.712155 0.500000 Na\n0.000000 0.500000 0.083177 Na\n0.000000 0.500000 0.583177 Na\n0.712155 0.287844 0.500000 Na\n0.287844 0.287844 0.500000 Na\n0.287844 0.712155 0.500000 Na\n0.787844 0.212156 0.000000 Na\n0.500000 0.000000 0.416823 Na\n0.500000 0.000000 0.916823 Na\n0.212156 0.787844 0.000000 Na\n0.212156 0.212156 0.000000 Na\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.747027 0.500000 0.815956 O\n0.500000 0.747027 0.184043 O\n0.247027 0.000000 0.684043 O\n0.752972 0.000000 0.684043 O\n0.500000 0.252973 0.184043 O\n0.000000 0.247027 0.315956 O\n0.252973 0.500000 0.815956 O\n0.000000 0.752972 0.315956 O\n",
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"formula_full": "Na12 Mn2 O8",
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{
"id": "jvasp-29597",
"created_at": "2022-09-04T14:36:46.760905Z",
"updated_at": "2022-09-04T14:36:46.760933Z",
"structure_string": "Ti6 Cl18\n1.0\n6.000012 0.000000 -0.000000\n-3.000005 5.196162 0.000000\n-0.000000 0.000000 17.637124\nTi Cl\n6 18\ndirect\n0.106992 0.893006 0.333333 Ti\n0.782065 0.217935 0.333333 Ti\n0.782064 0.564130 0.666667 Ti\n0.106993 0.213986 0.666667 Ti\n0.786012 0.893006 0.000000 Ti\n0.435870 0.217935 0.000000 Ti\n0.100907 0.554957 0.254217 Cl\n0.787404 0.231348 0.587945 Cl\n0.454048 0.899092 0.920883 Cl\n0.103934 0.888784 0.585740 Cl\n0.787404 0.556055 0.412055 Cl\n0.768651 0.212596 0.078722 Cl\n0.443945 0.231348 0.745388 Cl\n0.111215 0.896065 0.080927 Cl\n0.103934 0.215150 0.414260 Cl\n0.445042 0.899092 0.412450 Cl\n0.768651 0.556055 0.921277 Cl\n0.784848 0.888784 0.747593 Cl\n0.100907 0.545951 0.745783 Cl\n0.445042 0.545951 0.587550 Cl\n0.111216 0.215150 0.919073 Cl\n0.784848 0.896065 0.252407 Cl\n0.454048 0.554957 0.079117 Cl\n0.443945 0.212596 0.254612 Cl\n",
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},
{
"id": "jvasp-46119",
"created_at": "2022-09-04T14:38:07.404091Z",
"updated_at": "2022-09-04T14:38:07.404113Z",
"structure_string": "Na4 V2 P2 C2 O14\n1.0\n0.000000 5.206627 -0.013733\n6.411050 0.000000 0.000000\n0.000000 -0.330734 -8.968660\nNa V P C O\n4 2 2 2 14\ndirect\n0.781313 0.226639 0.915934 Na\n0.255146 0.471724 0.728419 Na\n0.744855 0.971724 0.271580 Na\n0.218688 0.726639 0.084066 Na\n0.784468 0.759281 0.662484 V\n0.215533 0.259281 0.337516 V\n0.717369 0.253524 0.574846 P\n0.282632 0.753524 0.425153 P\n0.706755 0.749186 0.933608 C\n0.293247 0.249186 0.066391 C\n0.478093 0.236369 0.168774 O\n0.228768 0.562886 0.321567 O\n0.210205 0.943088 0.323332 O\n0.878667 0.243993 0.434894 O\n0.571672 0.766068 0.469226 O\n0.428330 0.266068 0.530774 O\n0.939467 0.750790 0.880192 O\n0.789796 0.443088 0.676668 O\n0.771234 0.062886 0.678433 O\n0.521908 0.736369 0.831226 O\n0.060534 0.250790 0.119808 O\n0.332665 0.264469 0.928576 O\n0.121335 0.743993 0.565106 O\n0.667336 0.764469 0.071424 O\n",
"nsites": 24,
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"density_atomic": 0.08015964982133579,
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"formula_full": "Na4 V2 P2 C2 O14",
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"formula_anonymous": "ABCD2E7",
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"spacegroup": 4
},
{
"id": "jvasp-118364",
"created_at": "2022-09-04T14:38:33.099404Z",
"updated_at": "2022-09-04T14:38:33.099436Z",
"structure_string": "Ca2 Al2 N2\n1.0\n3.552038 0.000000 0.000000\n0.000000 3.552038 -0.000000\n0.000000 0.000000 7.638217\nCa Al N\n2 2 2\ndirect\n0.000000 0.500000 0.644535 Ca\n0.500000 0.000000 0.355465 Ca\n0.500000 0.000000 0.910832 Al\n0.000000 0.500000 0.089169 Al\n0.500000 0.000000 0.673567 N\n0.000000 0.500000 0.326433 N\n",
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"formula_full": "Ca2 Al2 N2",
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"spacegroup": 129
},
{
"id": "jvasp-45808",
"created_at": "2022-09-04T14:38:08.030190Z",
"updated_at": "2022-09-04T14:38:08.030217Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n2.906680 4.870972 0.135227\n-2.906680 4.870972 -0.135227\n-0.168183 0.000000 9.269872\nLi Mn Si O\n4 2 4 12\ndirect\n0.598965 0.718746 0.880243 Li\n0.281254 0.401035 0.380243 Li\n0.718747 0.598964 0.619756 Li\n0.401035 0.281253 0.119756 Li\n0.252131 0.252130 0.750000 Mn\n0.747870 0.747869 0.250000 Mn\n0.136671 0.796773 0.632413 Si\n0.203227 0.863329 0.132413 Si\n0.796773 0.136670 0.867587 Si\n0.863329 0.203226 0.367587 Si\n0.761217 0.513087 0.417011 O\n0.486913 0.238782 0.917011 O\n0.000000 0.000000 0.000000 O\n0.120122 0.120122 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.368149 0.851449 0.704766 O\n0.513087 0.761217 0.082989 O\n0.238783 0.486912 0.582989 O\n0.148550 0.631851 0.204766 O\n0.851450 0.368148 0.795234 O\n0.879878 0.879877 0.750000 O\n0.631852 0.148550 0.295234 O\n",
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{
"id": "jvasp-41189",
"created_at": "2022-09-04T14:37:39.467933Z",
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"structure_string": "Mg6 Tc2 H14\n1.0\n2.413178 -4.179747 0.000000\n2.413178 4.179747 -0.000000\n0.000000 0.000000 10.490303\nMg Tc H\n6 2 14\ndirect\n0.666668 0.333333 0.931741 Mg\n0.000000 0.000000 0.750000 Mg\n0.666668 0.333333 0.568259 Mg\n0.333333 0.666668 0.431741 Mg\n0.000000 0.000000 0.250000 Mg\n0.333333 0.666668 0.068259 Mg\n0.000000 0.000000 0.000000 Tc\n0.000000 0.000000 0.500000 Tc\n0.830841 0.661682 0.099483 H\n0.333333 0.666668 0.250000 H\n0.830841 0.661682 0.400517 H\n0.830841 0.169160 0.400517 H\n0.338319 0.169160 0.400517 H\n0.661682 0.830841 0.599483 H\n0.169160 0.338319 0.900517 H\n0.169160 0.338319 0.599483 H\n0.666668 0.333333 0.750000 H\n0.338319 0.169160 0.099483 H\n0.661682 0.830841 0.900517 H\n0.169160 0.830841 0.900517 H\n0.169160 0.830841 0.599483 H\n0.830841 0.169160 0.099483 H\n",
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{
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"created_at": "2022-09-04T14:37:14.172200Z",
"updated_at": "2022-09-04T14:37:14.172216Z",
"structure_string": "Rb8 S20\n1.0\n6.564273 0.000000 0.000000\n0.000000 6.850009 0.000000\n0.000000 0.000000 17.519980\nRb S\n8 20\ndirect\n0.424898 0.749883 0.338433 Rb\n0.924898 0.750117 0.661567 Rb\n0.575101 0.249883 0.161567 Rb\n0.075101 0.250117 0.838433 Rb\n0.885801 0.581425 0.014689 Rb\n0.385802 0.918576 0.985311 Rb\n0.114198 0.081425 0.485311 Rb\n0.614198 0.418575 0.514689 Rb\n0.909352 0.080209 0.024197 S\n0.430982 0.869579 0.623854 S\n0.930982 0.630422 0.376146 S\n0.945052 0.386428 0.303216 S\n0.069017 0.130422 0.123854 S\n0.445052 0.113572 0.696784 S\n0.409352 0.419791 0.975803 S\n0.569017 0.369578 0.876146 S\n0.090648 0.580209 0.475803 S\n0.745911 0.832111 0.848799 S\n0.254089 0.332111 0.651201 S\n0.754088 0.167889 0.348799 S\n0.554948 0.613572 0.803216 S\n0.245911 0.667889 0.151201 S\n0.952028 0.247198 0.656920 S\n0.452028 0.252802 0.343080 S\n0.047972 0.747198 0.843080 S\n0.547971 0.752802 0.156920 S\n0.590647 0.919791 0.524197 S\n0.054948 0.886428 0.196784 S\n",
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"spacegroup": 19
},
{
"id": "jvasp-78327",
"created_at": "2022-09-04T14:37:09.316127Z",
"updated_at": "2022-09-04T14:37:09.316154Z",
"structure_string": "O1\n1.0\n-1.273970 -1.273970 -0.000000\n-1.273970 1.273970 -0.000000\n-0.000000 -0.000000 -2.930771\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-113653",
"created_at": "2022-09-04T14:38:46.720353Z",
"updated_at": "2022-09-04T14:38:46.720370Z",
"structure_string": "Al2 H2 O2\n1.0\n3.376998 0.000000 0.000000\n0.000000 3.376998 0.000000\n0.000000 -0.000000 4.587941\nAl H O\n2 2 2\ndirect\n0.000000 0.500000 0.694159 Al\n0.500000 0.000000 0.305840 Al\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n",
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}
]
}