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{
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"results": [
{
"id": "jvasp-44636",
"created_at": "2022-09-04T14:38:34.307182Z",
"updated_at": "2022-09-04T14:38:34.307210Z",
"structure_string": "Ti2 Mn6 O16\n1.0\n2.853628 -4.942630 -0.000000\n2.853628 4.942630 -0.000000\n-0.000000 0.000000 8.967880\nTi Mn O\n2 6 16\ndirect\n0.666667 0.333333 0.504722 Ti\n0.333333 0.666667 0.004722 Ti\n0.335894 0.167947 0.786684 Mn\n0.832054 0.664106 0.786684 Mn\n0.832054 0.167947 0.786684 Mn\n0.167947 0.832054 0.286684 Mn\n0.167947 0.335894 0.286684 Mn\n0.664106 0.832054 0.286684 Mn\n0.165259 0.330518 0.899441 O\n0.333333 0.666667 0.397228 O\n0.481102 0.962204 0.166442 O\n0.037796 0.518898 0.166442 O\n0.834741 0.165259 0.399441 O\n0.165259 0.834741 0.899441 O\n0.962204 0.481102 0.666442 O\n0.000000 0.000000 0.682508 O\n0.834741 0.669482 0.399441 O\n0.000000 0.000000 0.182508 O\n0.481102 0.518898 0.166442 O\n0.666667 0.333333 0.897228 O\n0.518898 0.481102 0.666442 O\n0.330518 0.165259 0.399441 O\n0.518898 0.037796 0.666442 O\n0.669482 0.834741 0.899441 O\n",
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{
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"created_at": "2022-09-04T14:36:50.627997Z",
"updated_at": "2022-09-04T14:36:50.628013Z",
"structure_string": "Ga2 Te2 I14\n1.0\n0.000000 7.236260 -0.131466\n7.211841 0.000000 0.000000\n0.000000 -3.787686 -15.378462\nGa Te I\n2 2 14\ndirect\n0.285443 0.490624 0.806823 Ga\n0.285443 0.509376 0.306823 Ga\n0.004778 0.084771 0.654878 Te\n0.004779 0.915229 0.154878 Te\n0.706034 0.125563 0.187305 I\n0.706034 0.874437 0.687305 I\n0.789038 0.669076 0.035513 I\n0.789038 0.330924 0.535512 I\n0.944444 0.616519 0.309703 I\n0.944444 0.383480 0.809703 I\n0.370818 0.378129 0.663968 I\n0.130179 0.862878 0.536643 I\n0.516244 0.678587 0.432465 I\n0.516244 0.321413 0.932465 I\n0.319320 0.156872 0.328653 I\n0.319320 0.843128 0.828653 I\n0.370819 0.621871 0.163968 I\n0.130179 0.137122 0.036643 I\n",
"nsites": 18,
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"volume": 806.1432027071326,
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"formula_full": "Ga2 Te2 I14",
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{
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"created_at": "2022-09-04T14:36:02.602365Z",
"updated_at": "2022-09-04T14:36:02.602383Z",
"structure_string": "Ca1 Fe2 Si2\n1.0\n3.981597 -0.000000 -0.000000\n0.000000 3.981597 -0.000000\n-1.990798 -1.990798 4.869670\nCa Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.637421 0.637421 0.274841 Si\n0.362579 0.362579 0.725159 Si\n",
"nsites": 5,
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"formula_full": "Ca1 Fe2 Si2",
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"spacegroup": 139
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{
"id": "jvasp-99270",
"created_at": "2022-09-04T14:37:46.537954Z",
"updated_at": "2022-09-04T14:37:46.537975Z",
"structure_string": "V4 In4 O16\n1.0\n6.923109 0.003271 1.338107\n0.371589 6.913131 1.338107\n-0.014725 -0.013961 7.123624\nV In O\n4 4 16\ndirect\n0.251876 0.748124 0.000000 V\n0.748124 0.251876 0.000000 V\n0.273366 0.273366 0.594367 V\n0.726636 0.726635 0.405633 V\n0.187137 0.812864 0.500000 In\n0.812864 0.187136 0.500000 In\n0.788836 0.788835 0.868232 In\n0.211165 0.211165 0.131768 In\n0.210185 0.509428 0.525371 O\n0.490573 0.789816 0.474629 O\n0.893049 0.203032 0.187103 O\n0.796968 0.106952 0.812897 O\n0.106952 0.796968 0.812897 O\n0.203033 0.893048 0.187103 O\n0.482771 0.783388 0.890607 O\n0.206615 0.206615 0.838043 O\n0.517230 0.216612 0.109392 O\n0.783388 0.482770 0.890607 O\n0.509428 0.210184 0.525371 O\n0.793386 0.793385 0.161957 O\n0.859090 0.859089 0.538698 O\n0.140911 0.140911 0.461302 O\n0.216613 0.517230 0.109392 O\n0.789816 0.490572 0.474629 O\n",
"nsites": 24,
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"elements": [
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{
"id": "jvasp-120921",
"created_at": "2022-09-04T14:38:54.420306Z",
"updated_at": "2022-09-04T14:38:54.420326Z",
"structure_string": "V1 Br2 O1\n1.0\n-1.809141 1.828846 6.360635\n1.809141 -1.828846 6.360635\n1.809141 1.828846 -6.360635\nV Br O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.640579 0.140577 0.500002 Br\n0.359423 0.859422 0.499999 Br\n-0.000000 0.499999 0.499999 O\n",
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"density_atomic": 0.04751710492998103,
"volume": 84.18021270223032,
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"formula_full": "V1 Br2 O1",
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"spacegroup": 71
},
{
"id": "jvasp-107142",
"created_at": "2022-09-04T14:36:55.629871Z",
"updated_at": "2022-09-04T14:36:55.629897Z",
"structure_string": "Rb2 Li1 Bi1 I6\n1.0\n7.315980 -0.000000 4.223883\n2.438660 6.897572 4.223883\n-0.000000 -0.000000 8.447766\nRb Li Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.743722 0.256278 0.256278 I\n0.256279 0.256278 0.743722 I\n0.256279 0.743721 0.743722 I\n0.256279 0.743721 0.256278 I\n0.743722 0.256278 0.743722 I\n0.743722 0.743721 0.256278 I\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Bi-I-Li-Rb",
"density": 4.472884822979702,
"density_atomic": 0.023457913058950938,
"volume": 426.29538164241154,
"volume_molar": 25.672107935885222,
"formula_full": "Rb2 Li1 Bi1 I6",
"formula_reduced": "Rb2LiBiI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-29369",
"created_at": "2022-09-04T14:37:00.009708Z",
"updated_at": "2022-09-04T14:37:00.009737Z",
"structure_string": "Ag2 C2 N2 O2\n1.0\n3.512405 0.000000 0.000000\n0.000000 5.676506 0.000000\n0.000000 0.000000 5.581438\nAg C N O\n2 2 2 2\ndirect\n0.749999 0.250000 0.584442 Ag\n0.250000 0.750001 0.415559 Ag\n0.749999 0.750001 0.174055 C\n0.250000 0.250000 0.825946 C\n0.250000 0.250000 0.038408 N\n0.749999 0.750001 0.961592 N\n0.749999 0.750001 0.735830 O\n0.250000 0.250000 0.264170 O\n",
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"density_atomic": 0.07188829678348282,
"volume": 111.28376047209528,
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"formula_full": "Ag2 C2 N2 O2",
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"spacegroup": 59
},
{
"id": "jvasp-43858",
"created_at": "2022-09-04T14:36:32.799677Z",
"updated_at": "2022-09-04T14:36:32.799712Z",
"structure_string": "Mn6 O5 F7\n1.0\n4.557890 -0.006574 -0.004740\n0.120401 5.633561 0.007183\n0.109828 0.429131 7.844471\nMn O F\n6 5 7\ndirect\n0.494937 0.501519 0.006383 Mn\n0.532014 0.808411 0.645744 Mn\n0.498847 0.172063 0.339776 Mn\n0.004114 0.350975 0.699251 Mn\n0.977294 0.660030 0.312079 Mn\n0.005541 0.995612 0.996436 Mn\n0.197801 0.282803 0.907645 O\n0.307181 0.458642 0.233369 O\n0.700762 0.878151 0.425301 O\n0.696164 0.534264 0.779585 O\n0.807074 0.716421 0.092646 O\n0.791857 0.364518 0.461728 F\n0.777032 0.033873 0.769287 F\n0.730318 0.203337 0.113054 F\n0.281774 0.136872 0.577896 F\n0.280420 0.798096 0.869493 F\n0.190043 0.637324 0.546366 F\n0.226828 0.967093 0.223957 F\n",
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{
"id": "jvasp-37384",
"created_at": "2022-09-04T14:37:58.904429Z",
"updated_at": "2022-09-04T14:37:58.904444Z",
"structure_string": "Tm1 Mg2 Sc1\n1.0\n0.000000 3.652277 3.652277\n3.652277 0.000000 3.652277\n3.652277 3.652277 -0.000000\nTm Mg Sc\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.249999 0.249999 0.249999 Sc\n",
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{
"id": "jvasp-109813",
"created_at": "2022-09-04T14:38:20.139116Z",
"updated_at": "2022-09-04T14:38:20.139142Z",
"structure_string": "V1 Br2 O1\n1.0\n3.546593 0.001398 -0.899086\n-0.223946 3.503204 -0.877841\n-0.147437 -0.163598 6.854983\nV Br O\n1 2 1\ndirect\n0.000001 0.000000 -0.000000 V\n0.359521 0.859119 0.718761 Br\n0.640476 0.140878 0.281239 Br\n0.999998 0.500000 -0.000001 O\n",
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},
{
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"created_at": "2022-09-04T14:38:03.534232Z",
"updated_at": "2022-09-04T14:38:03.534242Z",
"structure_string": "Li3 Cd3 B3 O9\n1.0\n4.186701 -7.251580 0.000000\n4.186701 7.251580 -0.000000\n0.000000 -0.000000 3.267125\nLi Cd B O\n3 3 3 9\ndirect\n0.291047 0.007309 0.500001 Li\n0.716262 0.708953 0.500001 Li\n0.992691 0.283737 0.500001 Li\n0.631160 0.995642 0.000000 Cd\n0.004358 0.635519 0.000000 Cd\n0.364481 0.368839 0.000000 Cd\n0.666667 0.333333 0.500001 B\n0.333333 0.666667 0.500001 B\n0.000000 0.000000 0.000000 B\n0.857161 0.414828 0.500001 O\n0.188359 0.061773 0.000000 O\n0.938227 0.126587 0.000000 O\n0.873412 0.811641 0.000000 O\n0.246842 0.475377 0.500001 O\n0.228535 0.753158 0.500001 O\n0.524623 0.771465 0.500001 O\n0.585171 0.442333 0.500001 O\n0.557667 0.142838 0.500001 O\n",
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{
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"structure_string": "Yb4 C6 N12\n1.0\n6.147548 0.167306 9.253861\n2.917609 5.413677 9.253861\n0.271754 0.167306 11.106414\nYb C N\n4 6 12\ndirect\n0.165249 0.165249 0.165249 Yb\n0.665248 0.665250 0.665248 Yb\n0.834750 0.834753 0.834750 Yb\n0.334751 0.334752 0.334751 Yb\n0.057844 0.750001 0.442155 C\n0.750000 0.442156 0.057844 C\n0.557845 0.942156 0.249999 C\n0.942154 0.250001 0.557844 C\n0.249999 0.557846 0.942154 C\n0.442154 0.057846 0.749999 C\n0.335036 0.570010 0.959126 N\n0.929991 0.164965 0.540872 N\n0.164962 0.540874 0.929991 N\n0.959126 0.335038 0.570007 N\n0.570008 0.959128 0.335036 N\n0.835037 0.459128 0.070007 N\n0.540873 0.929993 0.164962 N\n0.040872 0.664964 0.429991 N\n0.664963 0.429993 0.040872 N\n0.459126 0.070009 0.835036 N\n0.429991 0.040874 0.664963 N\n0.070008 0.835038 0.459127 N\n",
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]
}