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{
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"results": [
{
"id": "jvasp-47922",
"created_at": "2022-09-04T14:37:07.347448Z",
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"structure_string": "Li4 Mn4 F16\n1.0\n4.870891 -0.000000 0.000000\n-0.000000 5.679341 0.000000\n0.000000 0.000000 10.721759\nLi Mn F\n4 4 16\ndirect\n0.626744 0.750000 0.069567 Li\n0.126744 0.250000 0.430433 Li\n0.873256 0.750000 0.569567 Li\n0.373256 0.250000 0.930433 Li\n0.566847 0.250000 0.243037 Mn\n0.066847 0.750000 0.256963 Mn\n0.933153 0.250000 0.743037 Mn\n0.433153 0.750000 0.756963 Mn\n0.204698 0.016610 0.822360 F\n0.204698 0.483389 0.822360 F\n0.704698 0.516610 0.677640 F\n0.704698 0.983390 0.677640 F\n0.241190 0.750000 0.611341 F\n0.133344 0.250000 0.599356 F\n0.866656 0.750000 0.400644 F\n0.795302 0.516610 0.177640 F\n0.295302 0.016610 0.322360 F\n0.295302 0.483389 0.322360 F\n0.741189 0.250000 0.888659 F\n0.795302 0.983390 0.177640 F\n0.258810 0.750000 0.111341 F\n0.366656 0.250000 0.099356 F\n0.758810 0.250000 0.388659 F\n0.633344 0.750000 0.900644 F\n",
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{
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"structure_string": "Li4 Cu1 P2 O8\n1.0\n4.659541 0.181329 -0.097637\n-1.115975 5.619771 0.122584\n-0.533465 -0.775219 5.730939\nLi Cu P O\n4 1 2 8\ndirect\n0.179110 0.270364 0.596890 Li\n0.213063 0.512677 0.168466 Li\n0.786937 0.487323 0.831533 Li\n0.820890 0.729636 0.403108 Li\n0.000000 0.000000 0.000000 Cu\n0.368075 0.777049 0.709479 P\n0.631924 0.222951 0.290520 P\n0.237901 0.582249 0.854815 O\n0.251461 0.704315 0.450838 O\n0.289336 0.202405 0.260943 O\n0.283722 0.022815 0.788137 O\n0.716278 0.977185 0.211862 O\n0.710664 0.797595 0.739056 O\n0.748539 0.295685 0.549161 O\n0.762099 0.417751 0.145184 O\n",
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"formula_full": "Li4 Cu1 P2 O8",
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{
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"created_at": "2022-09-04T14:36:11.415483Z",
"updated_at": "2022-09-04T14:36:11.415500Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n4.681477 0.109280 3.171607\n1.739228 4.347788 3.171608\n0.157425 0.109279 5.652481\nCa Cr F\n1 1 6\ndirect\n0.500001 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cr\n0.365300 0.072695 0.784760 F\n0.072695 0.784761 0.365298 F\n0.215241 0.634702 0.927305 F\n0.927307 0.215240 0.634701 F\n0.634702 0.927306 0.215239 F\n0.784761 0.365299 0.072695 F\n",
"nsites": 8,
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"spacegroup": 148
},
{
"id": "jvasp-96800",
"created_at": "2022-09-04T14:35:49.356816Z",
"updated_at": "2022-09-04T14:35:49.356843Z",
"structure_string": "Li2 Y2 P8 O24\n1.0\n6.451361 -0.000000 2.786838\n2.222067 7.728367 3.716724\n-0.010537 0.013118 8.885066\nLi Y P O\n2 2 8 24\ndirect\n0.205712 0.750000 0.250000 Li\n0.794287 0.250000 0.750000 Li\n0.701941 0.750000 0.250000 Y\n0.298058 0.250000 0.750000 Y\n0.495725 0.802847 0.903514 P\n0.504274 0.197153 0.096486 P\n0.191472 0.385752 0.340281 P\n0.808528 0.614249 0.659719 P\n0.082496 0.885752 0.840281 P\n0.917504 0.114248 0.159719 P\n0.202086 0.697154 0.596486 P\n0.797914 0.302847 0.403514 P\n0.334174 0.317304 0.456057 O\n0.892464 0.817305 0.956057 O\n0.254051 0.527077 0.731809 O\n0.665825 0.682696 0.543943 O\n0.343907 0.724765 0.414948 O\n0.034773 0.263904 0.420900 O\n0.939567 0.925621 0.200944 O\n0.323642 0.356190 0.155549 O\n0.512937 0.972924 0.768191 O\n0.965226 0.736097 0.579100 O\n0.280423 0.763905 0.920900 O\n0.066132 0.574380 0.299056 O\n0.487063 0.027077 0.231809 O\n0.745949 0.472923 0.268191 O\n0.060433 0.074380 0.799056 O\n0.719577 0.236096 0.079100 O\n0.835380 0.143810 0.344452 O\n0.516379 0.224765 0.914949 O\n0.164619 0.856191 0.655549 O\n0.483620 0.775236 0.085051 O\n0.676358 0.643810 0.844451 O\n0.933868 0.425621 0.700944 O\n0.107536 0.182696 0.043943 O\n0.656092 0.275236 0.585052 O\n",
"nsites": 36,
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"elements": [
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],
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"density_atomic": 0.08126602203792886,
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"formula_full": "Li2 Y2 P8 O24",
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{
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"created_at": "2022-09-04T14:36:31.528521Z",
"updated_at": "2022-09-04T14:36:31.528537Z",
"structure_string": "Na1 Ti1 S2\n1.0\n3.355212 -0.054287 6.093911\n1.524641 2.989292 6.093911\n-0.090260 -0.054287 6.955937\nNa Ti S\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Na\n0.000000 0.000000 0.000000 Ti\n0.737930 0.737927 0.737931 S\n0.262071 0.262070 0.262071 S\n",
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"formula_full": "Na1 Ti1 S2",
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},
{
"id": "jvasp-93217",
"created_at": "2022-09-04T14:36:07.443510Z",
"updated_at": "2022-09-04T14:36:07.443550Z",
"structure_string": "Ce1 Mg5\n1.0\n3.168457 0.000000 0.000000\n-1.584229 2.743965 -0.000000\n0.000000 -0.000000 16.190473\nCe Mg\n1 5\ndirect\n0.666667 0.333332 0.000000 Ce\n0.000000 0.000000 0.820216 Mg\n0.666667 0.333332 0.659562 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333332 0.340438 Mg\n0.000000 0.000000 0.179784 Mg\n",
"nsites": 6,
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},
{
"id": "jvasp-9766",
"created_at": "2022-09-04T14:38:08.998990Z",
"updated_at": "2022-09-04T14:38:08.999008Z",
"structure_string": "Na4 Ti2 Si2 O10\n1.0\n6.520555 -0.000000 0.000000\n0.000000 6.520555 0.000000\n0.000000 -0.000000 5.110434\nNa Ti Si O\n4 2 2 10\ndirect\n0.749999 0.749999 0.500000 Na\n0.250000 0.749999 0.500000 Na\n0.749999 0.250000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.500000 0.000000 0.065473 Ti\n0.000000 0.500000 0.934526 Ti\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.292445 0.500000 0.815690 O\n0.000000 0.792445 0.815690 O\n0.500000 0.707554 0.184309 O\n0.500000 0.292445 0.184309 O\n0.500000 0.000000 0.727393 O\n0.792445 0.000000 0.184309 O\n0.000000 0.500000 0.272606 O\n0.000000 0.207554 0.815690 O\n0.207554 0.000000 0.184309 O\n0.707554 0.500000 0.815690 O\n",
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"spacegroup": 129
},
{
"id": "jvasp-25654",
"created_at": "2022-09-04T14:37:43.842749Z",
"updated_at": "2022-09-04T14:37:43.842773Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n4.681610 0.108732 3.170755\n1.738761 4.348104 3.170756\n0.156635 0.108731 5.652136\nCa Cr F\n1 1 6\ndirect\n0.500001 0.499999 0.500001 Ca\n0.000000 0.000000 0.000000 Cr\n0.365199 0.072811 0.784770 F\n0.072812 0.784768 0.365199 F\n0.215232 0.634801 0.927190 F\n0.927189 0.215230 0.634803 F\n0.634802 0.927187 0.215233 F\n0.784769 0.365197 0.072813 F\n",
"nsites": 8,
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],
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"formula_full": "Ca1 Cr1 F6",
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},
{
"id": "jvasp-48085",
"created_at": "2022-09-04T14:38:28.603683Z",
"updated_at": "2022-09-04T14:38:28.603711Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n5.016560 -0.007085 -0.009346\n0.007535 5.174781 -0.000091\n0.046373 -0.000012 6.547651\nLi Co Si O\n2 2 2 8\ndirect\n0.499171 0.674867 0.758960 Li\n0.999172 0.325140 0.258970 Li\n0.995659 0.327431 0.761608 Co\n0.495639 0.672562 0.261601 Co\n0.494715 0.180041 0.508782 Si\n0.994691 0.819959 0.008800 Si\n0.058870 0.130948 0.998034 O\n0.112498 0.668725 0.805519 O\n0.628719 0.315345 0.712189 O\n0.169962 0.233468 0.519463 O\n0.558891 0.869047 0.498022 O\n0.612488 0.331255 0.305489 O\n0.128690 0.684665 0.212217 O\n0.669939 0.766540 0.019462 O\n",
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{
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"created_at": "2022-09-04T14:37:56.987809Z",
"updated_at": "2022-09-04T14:37:56.987818Z",
"structure_string": "K4 Zn2 Si4 O12\n1.0\n5.745253 -0.032216 -0.000000\n-2.293833 5.267572 -0.000000\n0.000000 -0.000000 10.542996\nK Zn Si O\n4 2 4 12\ndirect\n0.286486 0.943650 0.574002 K\n0.056350 0.713513 0.925999 K\n0.713513 0.056349 0.074001 K\n0.943649 0.286485 0.425999 K\n0.195024 0.804976 0.250000 Zn\n0.804976 0.195023 0.750000 Zn\n0.362186 0.330865 0.863475 Si\n0.330866 0.362186 0.136525 Si\n0.669134 0.637813 0.636525 Si\n0.637813 0.669134 0.363475 Si\n0.217078 0.054843 0.121083 O\n0.117572 0.473808 0.164646 O\n0.449870 0.550129 0.750000 O\n0.945157 0.782921 0.378917 O\n0.054843 0.217078 0.878917 O\n0.550129 0.449870 0.250000 O\n0.882427 0.526191 0.664646 O\n0.512007 0.512007 0.500000 O\n0.526191 0.882427 0.335354 O\n0.782922 0.945156 0.621084 O\n0.473808 0.117572 0.835354 O\n0.487993 0.487992 0.000000 O\n",
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{
"id": "jvasp-97338",
"created_at": "2022-09-04T14:35:49.898127Z",
"updated_at": "2022-09-04T14:35:49.898153Z",
"structure_string": "Si4 P8 O28\n1.0\n4.719719 0.093114 0.000000\n0.013549 7.652106 0.000000\n0.000000 0.000000 12.040985\nSi P O\n4 8 28\ndirect\n0.283959 0.347643 0.849299 Si\n0.216041 0.152357 0.349299 Si\n0.783960 0.847643 0.650701 Si\n0.716041 0.652357 0.150701 Si\n0.715570 0.052485 0.195405 P\n0.302848 0.804393 0.482501 P\n0.284430 0.947515 0.804595 P\n0.215570 0.552486 0.304595 P\n0.802848 0.304393 0.017500 P\n0.697153 0.195607 0.517500 P\n0.784430 0.447514 0.695406 P\n0.197153 0.695607 0.982501 P\n0.085407 0.864899 0.566848 O\n0.828816 0.435420 0.112319 O\n0.671184 0.064579 0.612319 O\n0.171184 0.564580 0.887682 O\n0.328816 0.935421 0.387682 O\n0.585407 0.364899 0.933153 O\n0.914594 0.135101 0.433153 O\n0.414593 0.635101 0.066848 O\n0.512225 0.168528 0.261945 O\n0.910342 0.739638 0.035383 O\n0.987775 0.331472 0.761945 O\n0.487775 0.831472 0.738056 O\n0.012225 0.668528 0.238055 O\n0.021686 0.067177 0.233964 O\n0.478314 0.432823 0.733964 O\n0.978314 0.932823 0.766036 O\n0.521686 0.567177 0.266036 O\n0.410342 0.239638 0.464617 O\n0.610168 0.867446 0.186727 O\n0.389832 0.132554 0.813274 O\n0.110168 0.367446 0.313273 O\n0.202365 0.624529 0.430195 O\n0.297636 0.875471 0.930196 O\n0.797636 0.375471 0.569805 O\n0.702365 0.124529 0.069805 O\n0.589658 0.760362 0.535383 O\n0.889832 0.632554 0.686727 O\n0.089658 0.260362 0.964617 O\n",
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],
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"volume": 434.8544956691506,
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"formula_full": "Si4 P8 O28",
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"spacegroup": 14
},
{
"id": "jvasp-90783",
"created_at": "2022-09-04T14:36:07.147249Z",
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"structure_string": "Mg4 Ti4\n1.0\n6.142826 0.000000 0.000000\n-3.071413 5.319845 -0.000000\n-0.000000 0.000000 4.754133\nMg Ti\n4 4\ndirect\n0.011504 0.505751 0.000000 Mg\n0.494248 0.505751 0.000000 Mg\n0.494248 0.988495 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.707891 0.853945 0.500000 Ti\n0.146055 0.292109 0.500000 Ti\n0.146055 0.853945 0.500000 Ti\n",
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}
]
}