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"results": [
{
"id": "jvasp-24293",
"created_at": "2022-09-04T14:38:26.919994Z",
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"structure_string": "Na4 Co2 Ge2 O8\n1.0\n0.000000 4.744872 0.025309\n4.603713 0.000000 0.000000\n0.000000 -4.768834 -8.354426\nNa Co Ge O\n4 2 2 8\ndirect\n0.283247 0.760120 0.253048 Na\n0.553359 0.768346 0.002523 Na\n0.553360 0.231653 0.502524 Na\n0.283248 0.239879 0.753048 Na\n0.041513 0.759561 0.502354 Co\n0.041512 0.240438 0.002354 Co\n0.746833 0.306237 0.252281 Ge\n0.746834 0.693762 0.752282 Ge\n0.028976 0.811737 0.958317 O\n0.674940 0.744432 0.548919 O\n0.347424 0.248234 0.229513 O\n0.812816 0.301366 0.776244 O\n0.812815 0.698633 0.276244 O\n0.028975 0.188263 0.458317 O\n0.347425 0.751765 0.729513 O\n0.674939 0.255568 0.048919 O\n",
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{
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"structure_string": "Li2 B12 H20 O4\n1.0\n4.463736 5.388645 0.022094\n-4.463736 5.388645 0.022094\n0.000000 3.479410 6.338312\nLi B H O\n2 12 20 4\ndirect\n0.361685 0.361685 0.516568 Li\n0.638315 0.638315 0.483431 Li\n0.798292 0.997148 0.221203 B\n0.949271 0.949271 0.810602 B\n0.823865 0.823865 0.084162 B\n0.176134 0.176134 0.915836 B\n0.090988 0.768694 0.968311 B\n0.050729 0.050729 0.189396 B\n0.909012 0.231305 0.031688 B\n0.768694 0.090988 0.968311 B\n0.997148 0.798292 0.221203 B\n0.201707 0.002851 0.778795 B\n0.002851 0.201707 0.778795 B\n0.231305 0.909012 0.031688 B\n0.603681 0.155403 0.946320 H\n0.087089 0.087089 0.322093 H\n0.912910 0.912910 0.677905 H\n0.698233 0.698233 0.145434 H\n0.301767 0.301767 0.854565 H\n0.155403 0.603681 0.946320 H\n0.396318 0.844596 0.053678 H\n0.844596 0.396318 0.053678 H\n0.992568 0.654111 0.379175 H\n0.721860 0.546523 0.830881 H\n0.007432 0.345889 0.620823 H\n0.654111 0.992568 0.379175 H\n0.453477 0.278140 0.169117 H\n0.546523 0.721860 0.830881 H\n0.278140 0.453477 0.169117 H\n0.757584 0.300958 0.376982 H\n0.699042 0.242416 0.623016 H\n0.242416 0.699042 0.623016 H\n0.300958 0.757584 0.376982 H\n0.345889 0.007432 0.620823 H\n0.376025 0.376025 0.242212 O\n0.337911 0.662089 0.499999 O\n0.662089 0.337911 0.499999 O\n0.623975 0.623975 0.757786 O\n",
"nsites": 38,
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"density_atomic": 0.12490519505935359,
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"formula_full": "Li2 B12 H20 O4",
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{
"id": "jvasp-90899",
"created_at": "2022-09-04T14:35:56.482693Z",
"updated_at": "2022-09-04T14:35:56.482709Z",
"structure_string": "K4 Si8 B4 O24\n1.0\n4.726590 0.000000 0.000000\n0.000000 10.010161 0.000000\n0.000000 0.000000 10.503931\nK Si B O\n4 8 4 24\ndirect\n0.801303 0.966851 0.811881 K\n0.698697 0.033148 0.311881 K\n0.301303 0.533148 0.188119 K\n0.198697 0.466852 0.688119 K\n0.789058 0.608503 0.934498 Si\n0.710942 0.391497 0.434498 Si\n0.289058 0.891497 0.065502 Si\n0.210942 0.108503 0.565502 Si\n0.266856 0.801381 0.576021 Si\n0.233144 0.198619 0.076022 Si\n0.766856 0.698619 0.423978 Si\n0.733144 0.301381 0.923978 Si\n0.707394 0.231831 0.657520 B\n0.792606 0.768169 0.157520 B\n0.207394 0.268169 0.342480 B\n0.292606 0.731831 0.842480 B\n0.380617 0.050685 0.081877 O\n0.119383 0.949315 0.581877 O\n0.975004 0.193638 0.971069 O\n0.524996 0.806362 0.471069 O\n0.475004 0.306362 0.028931 O\n0.024996 0.693638 0.528931 O\n0.606268 0.254482 0.788940 O\n0.893732 0.745518 0.288940 O\n0.106268 0.245518 0.211060 O\n0.393732 0.754482 0.711060 O\n0.545440 0.119885 0.602847 O\n0.011702 0.197059 0.660033 O\n0.045440 0.380115 0.397153 O\n0.454560 0.619885 0.897153 O\n0.662869 0.357553 0.585525 O\n0.837131 0.642447 0.085525 O\n0.162869 0.142447 0.414475 O\n0.337131 0.857553 0.914475 O\n0.619383 0.550685 0.418123 O\n0.488298 0.802941 0.160033 O\n0.511702 0.302941 0.339967 O\n0.988298 0.697059 0.839967 O\n0.954560 0.880115 0.102847 O\n0.880617 0.449315 0.918123 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "K4 Si8 B4 O24",
"formula_reduced": "KSi2BO6",
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{
"id": "jvasp-90850",
"created_at": "2022-09-04T14:36:01.070804Z",
"updated_at": "2022-09-04T14:36:01.070828Z",
"structure_string": "Sr2 Ag2 Te2 F2\n1.0\n4.340813 -0.000000 0.000000\n0.000000 4.340813 0.000000\n-0.000000 0.000000 9.642645\nSr Ag Te F\n2 2 2 2\ndirect\n0.749999 0.749999 0.863256 Sr\n0.250000 0.250000 0.136744 Sr\n0.250000 0.749999 0.500000 Ag\n0.749999 0.250000 0.500000 Ag\n0.749999 0.749999 0.298975 Te\n0.250000 0.250000 0.701025 Te\n0.250000 0.749999 0.000000 F\n0.749999 0.250000 0.000000 F\n",
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"formula_full": "Sr2 Ag2 Te2 F2",
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{
"id": "jvasp-87109",
"created_at": "2022-09-04T14:36:00.636815Z",
"updated_at": "2022-09-04T14:36:00.636840Z",
"structure_string": "K6 C2 O6 F2\n1.0\n6.227805 -0.050600 2.882511\n1.821798 5.955601 2.882511\n-0.068978 -0.050600 6.862192\nK C O F\n6 2 6 2\ndirect\n0.250000 0.818692 0.681308 K\n0.818692 0.681308 0.249999 K\n0.681309 0.250000 0.818691 K\n0.750000 0.181308 0.318691 K\n0.181308 0.318692 0.750000 K\n0.318692 0.750000 0.181308 K\n0.750000 0.750000 0.749999 C\n0.250000 0.250000 0.250000 C\n0.250000 0.425372 0.074628 O\n0.425372 0.074628 0.250000 O\n0.074628 0.250000 0.425371 O\n0.750000 0.574628 0.925371 O\n0.925372 0.750000 0.574628 O\n0.574629 0.925372 0.749999 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 16,
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"elements": [
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"volume": 256.99033645618925,
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},
{
"id": "jvasp-48281",
"created_at": "2022-09-04T14:36:01.003487Z",
"updated_at": "2022-09-04T14:36:01.003508Z",
"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.847260 -0.001012\n6.539081 0.000000 0.000000\n0.000000 -0.001169 -5.215879\nLi Cr Si O\n4 2 2 8\ndirect\n0.993316 0.247711 0.671663 Li\n0.493318 0.252288 0.328334 Li\n0.493318 0.747711 0.328334 Li\n0.993316 0.752288 0.671663 Li\n0.007757 0.000000 0.204800 Cr\n0.507754 0.500000 0.795199 Cr\n0.480162 0.000000 0.835185 Si\n0.980164 0.500000 0.164812 Si\n0.575207 0.000000 0.142596 O\n0.139680 0.000000 0.822304 O\n0.591277 0.209238 0.691055 O\n0.091280 0.290762 0.308945 O\n0.639681 0.500000 0.177695 O\n0.075204 0.500000 0.857403 O\n0.091280 0.709238 0.308945 O\n0.591277 0.790761 0.691055 O\n",
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"elements": [
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"density_atomic": 0.09677861934563362,
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"volume_molar": 6.222594205950204,
"formula_full": "Li4 Cr2 Si2 O8",
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{
"id": "jvasp-42744",
"created_at": "2022-09-04T14:36:04.547952Z",
"updated_at": "2022-09-04T14:36:04.547971Z",
"structure_string": "Li4 Mn4 B4 O12\n1.0\n5.197320 0.006479 0.015906\n2.585275 4.508717 -0.015906\n-0.183562 0.316396 10.342163\nLi Mn B O\n4 4 4 12\ndirect\n0.321393 0.652082 0.333174 Li\n0.347919 0.678609 0.833174 Li\n0.652499 0.337241 0.583298 Li\n0.662760 0.347502 0.083298 Li\n0.331098 0.000633 0.115810 Mn\n0.676209 0.007046 0.865644 Mn\n0.992955 0.323792 0.365644 Mn\n-0.000632 0.668903 0.615810 Mn\n0.657159 0.998316 0.374203 B\n0.997370 0.665504 0.124004 B\n0.001685 0.342842 0.874203 B\n0.334496 0.002631 0.624004 B\n0.751252 0.933017 0.084008 O\n0.066984 0.248749 0.584008 O\n0.255564 0.068629 0.902274 O\n0.031030 0.583908 0.834970 O\n0.581278 0.034231 0.652769 O\n0.272992 0.641396 0.138826 O\n0.358605 0.727009 0.638826 O\n0.628687 0.275131 0.389116 O\n0.724870 0.371315 0.889116 O\n0.416094 0.968971 0.334970 O\n0.965770 0.418723 0.152769 O\n0.931372 0.744437 0.402274 O\n",
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{
"id": "jvasp-88766",
"created_at": "2022-09-04T14:35:49.525453Z",
"updated_at": "2022-09-04T14:35:49.525480Z",
"structure_string": "Ba2 Fe2 Si8 O20\n1.0\n7.649498 -0.000013 -0.000022\n-0.000013 7.649516 -0.000014\n-0.000022 -0.000014 7.974351\nBa Fe Si O\n2 2 8 20\ndirect\n0.250000 0.750001 0.000001 Ba\n0.750000 0.250000 0.000000 Ba\n0.750000 0.750001 0.829142 Fe\n0.250001 0.250000 0.170859 Fe\n0.541245 0.958756 0.304057 Si\n0.458755 0.041245 0.695943 Si\n0.041244 0.458757 0.695945 Si\n0.041244 0.041244 0.695944 Si\n0.958757 0.958757 0.304056 Si\n0.458756 0.458757 0.695944 Si\n0.541245 0.541244 0.304057 Si\n0.958757 0.541244 0.304056 Si\n0.998710 0.750001 0.269702 O\n0.932391 0.932393 0.831563 O\n0.000001 0.000001 0.500000 O\n0.567611 0.567611 0.831562 O\n0.498712 0.250001 0.730301 O\n0.500000 0.000001 0.500000 O\n0.250001 0.498713 0.730300 O\n0.432391 0.432390 0.168437 O\n0.750000 0.501288 0.269701 O\n0.001291 0.250001 0.730300 O\n0.432391 0.067609 0.168438 O\n0.567610 0.932392 0.831562 O\n0.067610 0.432391 0.168438 O\n0.501289 0.750000 0.269700 O\n0.000000 0.500001 0.500001 O\n0.932391 0.567610 0.831563 O\n0.750001 0.998712 0.269701 O\n0.067610 0.067608 0.168436 O\n0.250000 0.001290 0.730300 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 32,
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],
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"density_atomic": 0.06857846149893368,
"volume": 466.6188085963049,
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"formula_full": "Ba2 Fe2 Si8 O20",
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{
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"created_at": "2022-09-04T14:35:52.922594Z",
"updated_at": "2022-09-04T14:35:52.922613Z",
"structure_string": "Li1 In2 Cu1 Se4\n1.0\n5.895134 0.000000 -0.000000\n-0.000000 5.895134 -0.000000\n-2.947567 -2.947567 5.923107\nLi In Cu Se\n1 2 1 4\ndirect\n0.250000 0.749999 0.500000 Li\n0.500000 0.500000 0.000000 In\n0.749999 0.250000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.632486 0.104733 0.754536 Se\n0.122049 0.649802 0.754536 Se\n0.895267 0.877950 0.245465 Se\n0.350197 0.367513 0.245465 Se\n",
"nsites": 8,
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],
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"density_atomic": 0.038864496544509367,
"volume": 205.8433972208553,
"volume_molar": 15.495223907257293,
"formula_full": "Li1 In2 Cu1 Se4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 82
},
{
"id": "jvasp-42742",
"created_at": "2022-09-04T14:35:56.447810Z",
"updated_at": "2022-09-04T14:35:56.447824Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n5.025379 0.000000 0.000000\n0.000000 6.863496 0.000000\n0.000000 0.000000 9.475464\nLi Mn Si O\n4 4 4 16\ndirect\n0.752960 0.471025 0.190719 Li\n0.252960 0.971026 0.309280 Li\n0.752960 0.028975 0.690719 Li\n0.252960 0.528975 0.809280 Li\n0.812820 0.976911 0.115801 Mn\n0.312819 0.476911 0.384199 Mn\n0.812820 0.523090 0.615801 Mn\n0.312819 0.023089 0.884199 Mn\n0.738760 0.731360 0.910246 Si\n0.238760 0.231359 0.589754 Si\n0.738760 0.768641 0.410246 Si\n0.238760 0.268641 0.089754 Si\n0.872659 0.567249 0.809830 O\n0.867687 0.958996 0.902035 O\n0.367686 0.458996 0.597964 O\n0.372659 0.067249 0.690169 O\n0.921163 0.258725 0.627575 O\n0.788106 0.798046 0.580857 O\n0.288106 0.201955 0.419143 O\n0.921163 0.241275 0.127575 O\n0.872659 0.932752 0.309830 O\n0.867687 0.541005 0.402035 O\n0.367686 0.041005 0.097965 O\n0.372659 0.432752 0.190169 O\n0.421163 0.758726 0.872425 O\n0.788106 0.701955 0.080857 O\n0.421163 0.741275 0.372425 O\n0.288106 0.298046 0.919143 O\n",
"nsites": 28,
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"volume": 326.82456473498394,
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"formula_full": "Li4 Mn4 Si4 O16",
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"formula_anonymous": "ABCD4",
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{
"id": "jvasp-89240",
"created_at": "2022-09-04T14:36:04.814433Z",
"updated_at": "2022-09-04T14:36:04.814453Z",
"structure_string": "Li4 Sc4 Ge4 O16\n1.0\n5.005243 -0.000000 0.000000\n-0.000000 6.015771 0.000000\n0.000000 0.000000 10.716130\nLi Sc Ge O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.995838 0.750000 0.728967 Sc\n0.495838 0.250000 0.771033 Sc\n0.004162 0.250000 0.271033 Sc\n0.504162 0.750000 0.228967 Sc\n0.949863 0.750000 0.411241 Ge\n0.449863 0.250000 0.088759 Ge\n0.050137 0.250000 0.588759 Ge\n0.550136 0.750000 0.911241 Ge\n0.783604 0.972010 0.327423 O\n0.283605 0.027990 0.172577 O\n0.783604 0.527990 0.327423 O\n0.283605 0.472010 0.172577 O\n0.216395 0.027990 0.672577 O\n0.716395 0.972010 0.827423 O\n0.704677 0.750000 0.059696 O\n0.700790 0.250000 0.594907 O\n0.295322 0.250000 0.940304 O\n0.795322 0.750000 0.559696 O\n0.299210 0.750000 0.405093 O\n0.799209 0.250000 0.094907 O\n0.716395 0.527990 0.827423 O\n0.200790 0.750000 0.905093 O\n0.204678 0.250000 0.440304 O\n0.216395 0.472010 0.672577 O\n",
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"elements": [
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],
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"volume": 322.6669145371141,
"volume_molar": 6.939805635490685,
"formula_full": "Li4 Sc4 Ge4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-97536",
"created_at": "2022-09-04T14:35:47.773718Z",
"updated_at": "2022-09-04T14:35:47.773746Z",
"structure_string": "Ho8 H16 C4 O28\n1.0\n6.178644 0.000000 -0.784030\n0.000000 5.971238 0.000000\n0.049260 0.000000 15.390743\nHo H C O\n8 16 4 28\ndirect\n0.591574 0.251863 0.563807 Ho\n0.408425 0.751863 0.936193 Ho\n0.408425 0.748138 0.436193 Ho\n0.591574 0.248137 0.063807 Ho\n0.578277 0.256337 0.817318 Ho\n0.421722 0.756337 0.682682 Ho\n0.421722 0.743664 0.182682 Ho\n0.578277 0.243664 0.317318 Ho\n0.827235 0.003436 0.197483 H\n0.827235 0.496564 0.697483 H\n0.172764 -0.003436 0.802517 H\n0.833511 0.550855 0.214561 H\n0.166488 0.050855 0.285439 H\n0.166488 0.449145 0.785439 H\n0.833511 0.949145 0.714561 H\n0.816553 0.969363 0.945262 H\n0.183447 0.030638 0.054738 H\n0.183447 0.469362 0.554738 H\n0.172764 0.503436 0.302517 H\n0.224674 0.171066 0.422137 H\n0.775326 0.671066 0.077863 H\n0.775326 0.828934 0.577863 H\n0.224674 0.328934 0.922137 H\n0.816553 0.530638 0.445262 H\n0.899803 0.926723 0.383171 C\n0.100196 0.426723 0.116829 C\n0.100196 0.073277 0.616829 C\n0.899803 0.573277 0.883171 C\n0.327579 0.964707 0.810575 O\n0.672420 0.464707 0.689425 O\n0.967417 0.277000 0.083722 O\n0.032582 0.777000 0.416277 O\n0.032582 0.723000 0.916277 O\n0.967417 0.223000 0.583722 O\n0.697230 0.517001 0.237692 O\n0.302769 0.017001 0.262308 O\n0.302769 0.483000 0.762308 O\n0.697230 -0.017001 0.737692 O\n0.676833 0.454882 0.446863 O\n0.323166 0.954882 0.053137 O\n0.323166 0.545118 0.553137 O\n0.676833 0.045118 0.946863 O\n0.622460 0.632552 0.059951 O\n0.622460 0.867449 0.559951 O\n0.377539 0.367449 0.940049 O\n0.957774 0.121550 0.355683 O\n0.042225 0.621550 0.144317 O\n0.042225 0.878450 0.644317 O\n0.957774 0.378450 0.855683 O\n0.691159 0.891584 0.374447 O\n0.308840 0.391584 0.125553 O\n0.308840 0.108417 0.625553 O\n0.691159 0.608417 0.874447 O\n0.327579 0.535293 0.310575 O\n0.377539 0.132551 0.440049 O\n0.672420 0.035293 0.189425 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ho",
"H",
"C",
"O"
],
"chemical_system": "C-H-Ho-O",
"density": 5.354084245722853,
"density_atomic": 0.09858129943465149,
"volume": 568.0590570539376,
"volume_molar": 6.108806431378005,
"formula_full": "Ho8 H16 C4 O28",
"formula_reduced": "Ho2H4CO7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 3.020674688095238,
"spacegroup": 14
}
]
}