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{
"id": "jvasp-94120",
"created_at": "2022-09-04T14:35:48.676940Z",
"updated_at": "2022-09-04T14:35:48.676956Z",
"structure_string": "Mg6 Co1 Sb1\n1.0\n6.187216 -0.148609 0.000000\n-3.222306 5.581197 0.000000\n0.000000 0.000000 4.766004\nMg Co Sb\n6 1 1\ndirect\n0.679492 0.333401 0.250000 Mg\n0.679492 0.846089 0.250000 Mg\n0.321897 0.187624 0.749999 Mg\n0.321897 0.634274 0.749999 Mg\n0.847137 0.173569 0.749999 Mg\n0.819125 0.659563 0.749999 Mg\n0.158690 0.329345 0.250000 Co\n0.172272 0.836135 0.250000 Sb\n",
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{
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"structure_string": "Mg4 Mn4 F20\n1.0\n0.000000 5.017200 0.019349\n9.470827 0.000000 0.000000\n0.000000 -2.655927 -7.301135\nMg Mn F\n4 4 20\ndirect\n0.525481 0.012728 0.219901 Mg\n0.474519 0.512729 0.280099 Mg\n0.474518 0.987272 0.780098 Mg\n0.525480 0.487272 0.719901 Mg\n0.111822 0.759942 0.372012 Mn\n0.888177 0.259942 0.127987 Mn\n0.888177 0.240059 0.627987 Mn\n0.111822 0.740059 0.872012 Mn\n0.131059 0.102904 0.752938 F\n0.192559 0.139369 0.153487 F\n0.807441 0.639370 0.346512 F\n0.807171 0.158374 0.359489 F\n0.192558 0.360631 0.653487 F\n0.192829 0.658374 0.140511 F\n0.868940 0.602904 0.747061 F\n0.807440 0.860631 0.846512 F\n0.868940 0.897096 0.247061 F\n0.638580 0.110936 0.009778 F\n0.361419 0.889064 0.990222 F\n0.638580 0.389064 0.509777 F\n0.807170 0.341626 0.859488 F\n0.361419 0.610936 0.490222 F\n0.415992 0.619604 0.879599 F\n0.584006 0.119604 0.620400 F\n0.584007 0.380396 0.120400 F\n0.415993 0.880396 0.379599 F\n0.131059 0.397096 0.252939 F\n0.192828 0.841627 0.640511 F\n",
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{
"id": "jvasp-30383",
"created_at": "2022-09-04T14:38:03.718343Z",
"updated_at": "2022-09-04T14:38:03.718362Z",
"structure_string": "V4 O4 F12\n1.0\n2.722425 -0.000700 -4.720847\n-0.007888 10.975970 -0.005659\n2.207794 0.004541 4.419869\nV O F\n4 4 12\ndirect\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 -0.000000 V\n0.576103 0.249980 -0.000089 V\n0.423898 0.750020 0.000089 V\n0.229659 0.870928 0.000030 O\n0.770600 0.370750 -0.000214 O\n0.229401 0.629250 0.000214 O\n0.770342 0.129072 -0.000030 O\n0.784834 0.000036 0.569635 F\n0.250094 0.109879 0.000091 F\n0.734344 0.750019 0.400702 F\n0.666405 0.250061 0.400517 F\n0.333595 0.749939 0.599483 F\n0.215166 -0.000036 0.430365 F\n0.749907 0.890121 -0.000091 F\n0.215207 0.499897 0.430356 F\n0.784793 0.500103 0.569643 F\n0.250317 0.390325 -0.000148 F\n0.265657 0.249981 0.599297 F\n0.749683 0.609675 0.000147 F\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-117676",
"created_at": "2022-09-04T14:38:47.021490Z",
"updated_at": "2022-09-04T14:38:47.021507Z",
"structure_string": "Be1 Zn1 Cl1\n1.0\n4.702437 -0.000000 -0.000000\n-2.351218 4.072429 -0.000000\n0.000000 -0.000000 2.852537\nBe Zn Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.000000 Zn\n0.333333 0.666667 0.000000 Cl\n",
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},
{
"id": "jvasp-9158",
"created_at": "2022-09-04T14:37:07.307455Z",
"updated_at": "2022-09-04T14:37:07.307474Z",
"structure_string": "As8 S10\n1.0\n0.000000 7.248870 -0.034204\n8.002893 0.000000 0.000000\n0.000000 -1.585834 -7.877486\nAs S\n8 10\ndirect\n0.256647 0.001772 0.601116 As\n0.743353 0.501771 0.398884 As\n0.743353 -0.001772 0.398884 As\n0.256647 0.498228 0.601116 As\n0.458712 0.750000 0.045045 As\n0.541288 0.250000 0.954955 As\n0.809466 0.750000 0.022715 As\n0.190534 0.250000 0.977285 As\n0.915273 0.526047 0.189995 S\n0.084728 0.026048 0.810005 S\n0.548356 0.469283 0.770511 S\n0.451645 0.969283 0.229489 S\n0.787678 0.750000 0.547456 S\n0.548356 0.030717 0.770511 S\n0.212323 0.250000 0.452544 S\n0.084728 0.473952 0.810005 S\n0.451645 0.530716 0.229489 S\n0.915273 0.973952 0.189995 S\n",
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{
"id": "jvasp-54513",
"created_at": "2022-09-04T14:38:31.108413Z",
"updated_at": "2022-09-04T14:38:31.108443Z",
"structure_string": "Na4 Al2 Ni2 F14\n1.0\n6.136950 0.000000 3.495232\n2.123353 5.955706 3.407066\n-0.026827 -0.006266 7.182368\nNa Al Ni F\n4 2 2 14\ndirect\n0.500000 0.500000 0.000000 Na\n-0.000000 0.500000 0.000000 Na\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 -0.000000 Al\n-0.000001 0.500000 0.500001 Al\n-0.000000 -0.000000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.801564 0.951648 0.822834 F\n0.076046 0.677167 0.548353 F\n0.423952 0.951648 0.822835 F\n0.415522 0.307018 0.861937 F\n0.915522 0.361936 0.807019 F\n0.249999 0.874942 0.625059 F\n0.750000 0.125058 0.374942 F\n0.576047 0.048352 0.177166 F\n0.084477 0.638064 0.192982 F\n0.301565 0.322833 0.451648 F\n0.698434 0.677167 0.548353 F\n0.198435 0.048352 0.177167 F\n0.584477 0.692982 0.138064 F\n0.923953 0.322833 0.451648 F\n",
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{
"id": "jvasp-71399",
"created_at": "2022-09-04T14:35:51.816157Z",
"updated_at": "2022-09-04T14:35:51.816187Z",
"structure_string": "Ca1 Mn1 Be2\n1.0\n2.976944 0.000000 0.000000\n0.000000 2.976944 0.000000\n0.000000 0.000000 6.341878\nCa Mn Be\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Ca\n0.499999 0.499999 0.500000 Mn\n0.000000 0.000000 0.663867 Be\n0.000000 0.000000 0.336133 Be\n",
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},
{
"id": "jvasp-45309",
"created_at": "2022-09-04T14:38:29.296938Z",
"updated_at": "2022-09-04T14:38:29.296949Z",
"structure_string": "Na2 Er2 P4 S12\n1.0\n6.870589 -0.021137 0.019367\n0.259062 7.062878 -0.049517\n0.345416 0.465865 9.107299\nNa Er P S\n2 2 4 12\ndirect\n0.465105 0.397611 0.271645 Na\n0.534895 0.602387 0.728355 Na\n0.976384 0.119333 0.746707 Er\n0.023617 0.880667 0.253293 Er\n0.349868 0.961418 0.971057 P\n0.650132 0.038582 0.028943 P\n0.932527 0.390483 0.434674 P\n0.067474 0.609517 0.565326 P\n0.700616 0.294448 0.929931 S\n0.299384 0.705552 0.070069 S\n0.351250 0.970023 0.747713 S\n0.145951 0.178929 0.437914 S\n0.701599 0.295299 0.561446 S\n0.836039 0.833021 0.947303 S\n0.870259 0.519341 0.238917 S\n0.298401 0.704700 0.438554 S\n0.648751 0.029976 0.252287 S\n0.129741 0.480658 0.761083 S\n0.854049 0.821070 0.562086 S\n0.163962 0.166979 0.052697 S\n",
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{
"id": "jvasp-113594",
"created_at": "2022-09-04T14:38:50.431324Z",
"updated_at": "2022-09-04T14:38:50.431355Z",
"structure_string": "Na1 Cr1 F4\n1.0\n4.912234 0.000000 0.009575\n0.000000 3.089561 0.000000\n-0.136274 0.000000 4.946295\nNa Cr F\n1 1 4\ndirect\n0.500000 0.499999 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.732042 0.000000 0.723459 F\n0.178913 0.499999 0.830034 F\n0.821087 0.499999 0.169965 F\n0.267959 0.000000 0.276540 F\n",
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{
"id": "jvasp-29580",
"created_at": "2022-09-04T14:37:57.345721Z",
"updated_at": "2022-09-04T14:37:57.345747Z",
"structure_string": "Zr2 Cl6\n1.0\n6.137804 0.000000 -0.000000\n-3.068902 5.315494 0.000000\n-0.000000 0.000000 6.022753\nZr Cl\n2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 -0.000000 Zr\n0.670627 0.670627 0.250253 Cl\n0.329372 0.329372 0.749747 Cl\n-0.000000 0.329372 0.250253 Cl\n0.329372 0.000000 0.250253 Cl\n0.670627 0.000000 0.749747 Cl\n-0.000000 0.670627 0.749747 Cl\n",
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},
{
"id": "jvasp-111627",
"created_at": "2022-09-04T14:38:40.650589Z",
"updated_at": "2022-09-04T14:38:40.650623Z",
"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.417950 -0.019598 0.572174\n-7.005056 4.668130 0.572174\n-0.011802 -0.038828 5.414475\nCa Zn Si O\n2 2 2 10\ndirect\n0.225511 0.083976 0.112755 Ca\n0.083976 0.225511 0.612755 Ca\n0.768817 0.269285 0.992445 Zn\n0.269285 0.768818 0.492445 Zn\n0.650895 0.376216 0.508187 Si\n0.376216 0.650896 0.008186 Si\n0.787872 0.836387 0.365883 O\n0.836387 0.787872 0.865883 O\n0.702999 0.992231 0.922337 O\n0.992231 0.702999 0.422337 O\n0.597137 0.179209 0.339378 O\n0.179209 0.597137 0.839378 O\n0.549997 0.232902 0.807729 O\n0.232902 0.549998 0.307729 O\n0.441465 0.347094 0.435286 O\n0.347094 0.441465 0.935286 O\n",
"nsites": 16,
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"volume": 212.39864131414458,
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"formula_full": "Ca2 Zn2 Si2 O10",
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},
{
"id": "jvasp-51574",
"created_at": "2022-09-04T14:37:50.034330Z",
"updated_at": "2022-09-04T14:37:50.034358Z",
"structure_string": "Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n",
"nsites": 24,
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],
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"density": 3.3392070126620497,
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"formula_full": "Rb8 Cu4 Cl12",
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}
]
}