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{
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"results": [
{
"id": "jvasp-98249",
"created_at": "2022-09-04T14:36:18.357719Z",
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"structure_string": "Rb8 Sb4 Au4 S16\n1.0\n6.727327 -0.000000 0.000000\n0.000000 7.203863 0.000000\n0.000000 0.000000 20.203469\nRb Sb Au S\n8 4 4 16\ndirect\n0.299449 0.750000 0.011911 Rb\n0.909498 0.250000 0.670910 Rb\n0.700552 0.250000 0.988089 Rb\n0.299449 0.250000 0.488089 Rb\n0.090502 0.750000 0.329090 Rb\n0.090502 0.250000 0.170910 Rb\n0.700552 0.750000 0.511911 Rb\n0.909498 0.750000 0.829090 Rb\n0.793568 0.750000 0.109549 Sb\n0.793568 0.250000 0.390451 Sb\n0.206432 0.250000 0.890451 Sb\n0.206432 0.750000 0.609549 Sb\n0.597138 0.500000 0.250000 Au\n0.402862 0.500000 0.750000 Au\n0.597138 0.000000 0.250000 Au\n0.402862 0.000000 0.750000 Au\n0.801652 0.750000 0.993108 S\n0.897187 0.750000 0.662413 S\n0.399123 0.523862 0.864325 S\n0.600877 0.023862 0.135675 S\n0.399123 0.476138 0.635675 S\n0.198348 0.750000 0.493108 S\n0.897187 0.250000 0.837587 S\n0.198348 0.250000 0.006892 S\n0.600877 0.976137 0.364325 S\n0.102814 0.250000 0.337587 S\n0.399123 0.023862 0.635675 S\n0.801652 0.250000 0.506892 S\n0.600877 0.523862 0.364325 S\n0.102814 0.750000 0.162413 S\n0.600877 0.476138 0.135675 S\n0.399123 0.976137 0.864325 S\n",
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{
"id": "jvasp-87203",
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"updated_at": "2022-09-04T14:36:08.256397Z",
"structure_string": "Sb16 Mo8 Se8\n1.0\n6.606681 0.000000 0.000000\n0.000000 6.598154 -0.493385\n0.000000 0.007967 18.654417\nSb Mo Se\n16 8 8\ndirect\n0.624724 0.923830 0.924830 Sb\n0.375276 0.076170 0.075170 Sb\n0.875276 0.923830 0.424830 Sb\n0.124913 0.923957 0.925103 Sb\n0.624913 0.076043 0.574897 Sb\n0.875087 0.076043 0.074897 Sb\n0.375087 0.923957 0.425103 Sb\n0.649801 0.795724 0.772393 Sb\n0.149801 0.204276 0.727607 Sb\n0.350199 0.204276 0.227607 Sb\n0.850199 0.795723 0.272393 Sb\n0.099731 0.795980 0.772615 Sb\n0.599731 0.204021 0.727385 Sb\n0.900269 0.204020 0.227385 Sb\n0.400269 0.795979 0.272615 Sb\n0.124724 0.076170 0.575170 Sb\n0.874673 0.672459 0.005750 Mo\n0.125326 0.327541 0.994251 Mo\n0.625326 0.672459 0.505750 Mo\n0.624494 0.327796 0.994357 Mo\n0.124494 0.672204 0.505643 Mo\n0.375505 0.672203 0.005643 Mo\n0.875505 0.327796 0.494357 Mo\n0.374674 0.327541 0.494251 Mo\n0.874824 0.410574 0.899452 Se\n0.374824 0.589426 0.600548 Se\n0.125176 0.589426 0.100548 Se\n0.625176 0.410574 0.399452 Se\n0.624987 0.588737 0.100682 Se\n0.124987 0.411262 0.399318 Se\n0.375013 0.411262 0.899318 Se\n0.875012 0.588738 0.600682 Se\n",
"nsites": 32,
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"elements": [
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"Mo",
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],
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"density_atomic": 0.03935035393545958,
"volume": 813.207425084022,
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"formula_full": "Sb16 Mo8 Se8",
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"spacegroup": 14
},
{
"id": "jvasp-22879",
"created_at": "2022-09-04T14:37:47.135153Z",
"updated_at": "2022-09-04T14:37:47.135175Z",
"structure_string": "Li8 Zn4 Si4 O16\n1.0\n0.000000 5.069718 -0.008630\n10.688474 0.000000 0.000000\n0.000000 -4.998490 -6.257816\nLi Zn Si O\n8 4 4 16\ndirect\n0.683182 0.663601 0.495092 Li\n0.540991 0.576074 0.741395 Li\n0.459010 0.076074 0.758606 Li\n0.459009 0.423926 0.258605 Li\n0.540991 0.923926 0.241395 Li\n0.316819 0.163601 0.004908 Li\n0.316819 0.336398 0.504908 Li\n0.683182 0.836398 0.995093 Li\n0.190968 0.665785 0.001498 Zn\n0.809033 0.165785 0.498502 Zn\n0.809032 0.334215 -0.001498 Zn\n0.190968 0.834214 0.501499 Zn\n0.065501 0.086688 0.251812 Si\n0.934499 0.586688 0.248188 Si\n0.934500 0.913311 0.748188 Si\n0.065502 0.413312 0.751813 Si\n0.947921 0.941915 0.244940 O\n0.052080 0.441915 0.255060 O\n0.608470 0.911810 0.749130 O\n0.391531 0.411810 0.750871 O\n0.391531 0.088190 0.250870 O\n0.608470 0.588190 0.249130 O\n0.741595 0.340591 0.536362 O\n0.741595 0.159409 0.036362 O\n0.822147 0.839651 0.530539 O\n0.258406 0.840590 0.963639 O\n0.177855 0.339651 0.969462 O\n0.177854 0.160349 0.469461 O\n0.822146 0.660348 0.030539 O\n0.947921 0.558084 0.744940 O\n0.258406 0.659409 0.463638 O\n0.052080 0.058084 0.755060 O\n",
"nsites": 32,
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"elements": [
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"O"
],
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"density_atomic": 0.09424049794883466,
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"formula_full": "Li8 Zn4 Si4 O16",
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},
{
"id": "jvasp-112056",
"created_at": "2022-09-04T14:38:44.058877Z",
"updated_at": "2022-09-04T14:38:44.058905Z",
"structure_string": "H12 C14 S2 N4\n1.0\n5.449074 0.015182 0.030190\n0.200088 7.254472 0.112026\n-0.066141 0.113825 7.771132\nH C S N\n12 14 2 4\ndirect\n0.027897 0.883675 0.372696 H\n0.808202 0.615772 0.581624 H\n0.823142 0.641695 0.899276 H\n0.543280 0.381594 0.906953 H\n0.532446 0.362812 0.591080 H\n0.339718 0.379148 0.360236 H\n0.391187 0.461611 0.135350 H\n0.842917 0.140280 0.893096 H\n0.976902 0.970936 0.138104 H\n0.562253 0.881637 0.933074 H\n0.576559 0.860017 0.613197 H\n0.857314 0.116768 0.573471 H\n0.168929 0.488455 0.564695 C\n0.970260 0.567038 0.652774 C\n0.977825 0.580207 0.831970 C\n0.182838 0.511968 0.924809 C\n0.383379 0.435401 0.835019 C\n0.377085 0.424437 0.658826 C\n0.069336 0.532359 0.243790 C\n0.411772 0.938673 0.853765 C\n0.004315 0.080685 0.830637 C\n0.201327 0.012076 0.932362 C\n0.419426 0.926167 0.674671 C\n0.218081 0.987232 0.574502 C\n0.300635 0.018106 0.253152 C\n0.012406 0.068040 0.653216 C\n0.573726 0.124398 0.253452 S\n0.788788 0.639053 0.241490 S\n0.185977 0.459044 0.387322 N\n0.190711 0.946818 0.396622 N\n0.155903 0.001270 0.111395 N\n0.217786 0.510446 0.103982 N\n",
"nsites": 32,
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"elements": [
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],
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"density_atomic": 0.1041951501827614,
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"formula_full": "H12 C14 S2 N4",
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},
{
"id": "jvasp-63490",
"created_at": "2022-09-04T14:35:44.783673Z",
"updated_at": "2022-09-04T14:35:44.783718Z",
"structure_string": "As16 Se16\n1.0\n0.000000 6.770979 -0.023812\n13.909657 0.000000 0.000000\n0.000000 -4.099925 -9.206324\nAs Se\n16 16\ndirect\n0.353663 0.978269 0.112442 As\n0.661654 0.839979 0.964820 As\n0.661654 0.660022 0.464820 As\n0.338346 0.160022 0.035180 As\n0.149302 0.367307 0.826475 As\n0.850698 0.867307 0.673524 As\n0.850698 0.632693 0.173524 As\n0.149302 0.132693 0.326475 As\n0.338346 0.339979 0.535179 As\n0.429323 0.862013 0.568466 As\n0.429322 0.637987 0.068466 As\n0.570678 0.137987 0.431533 As\n0.353663 0.521732 0.612442 As\n0.646338 0.021732 0.887557 As\n0.646337 0.478269 0.387557 As\n0.570678 0.362013 0.931533 As\n0.945287 0.720903 0.399095 Se\n0.054713 0.220903 0.100905 Se\n0.624894 0.269524 0.744299 Se\n0.375107 0.769524 0.755700 Se\n0.375107 0.730476 0.255701 Se\n0.624894 0.230476 0.244299 Se\n0.081300 0.525141 0.712054 Se\n0.081300 0.974860 0.212054 Se\n0.918700 0.474859 0.287946 Se\n0.656146 0.514731 0.849665 Se\n0.343855 0.014731 0.650334 Se\n0.343855 0.485269 0.150334 Se\n0.656146 0.985269 0.349665 Se\n0.945287 0.779098 0.899095 Se\n0.918701 0.025141 0.787946 Se\n0.054713 0.279098 0.600905 Se\n",
"nsites": 32,
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"elements": [
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],
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},
{
"id": "jvasp-103879",
"created_at": "2022-09-04T14:36:53.869286Z",
"updated_at": "2022-09-04T14:36:53.869305Z",
"structure_string": "Sn1 H16 C9 O6\n1.0\n4.551770 -0.038473 -0.064664\n0.307901 6.773983 2.405101\n0.016435 -0.209437 8.916271\nSn H C O\n1 16 9 6\ndirect\n0.022383 0.113500 0.121667 Sn\n0.929151 0.570240 0.530352 H\n0.833112 0.423482 0.720198 H\n0.060149 0.762432 0.266052 H\n0.417149 0.289394 0.586112 H\n0.784185 0.219473 0.558165 H\n0.796006 0.472783 0.297494 H\n0.432993 0.557072 0.320197 H\n0.329948 0.325120 0.922976 H\n0.765395 0.910896 0.526048 H\n0.379606 0.703209 0.496159 H\n0.355322 0.587798 0.700104 H\n0.498361 0.645266 0.939482 H\n0.833398 0.675921 0.030928 H\n-0.002746 0.684653 0.784020 H\n0.962247 0.934463 0.768598 H\n0.453293 0.941776 0.633505 H\n0.673969 0.748281 0.934619 C\n0.836741 0.803354 0.777582 C\n0.511147 0.654856 0.606923 C\n0.636987 0.839307 0.630801 C\n0.626694 0.344694 0.531778 C\n0.743629 0.498862 0.600942 C\n0.458267 0.285013 0.277865 C\n0.549260 0.923024 0.974958 C\n0.583976 0.427679 0.350919 C\n0.604977 0.210805 0.187890 O\n0.133888 0.355360 0.955581 O\n0.925737 0.862388 0.282275 O\n0.699679 0.077705 0.948548 O\n0.294279 0.909403 0.035674 O\n0.187788 0.241018 0.300515 O\n",
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{
"id": "jvasp-87136",
"created_at": "2022-09-04T14:36:08.203164Z",
"updated_at": "2022-09-04T14:36:08.203189Z",
"structure_string": "Mg4 Si8 O20\n1.0\n5.364399 0.000000 0.018543\n0.000000 6.970396 0.000000\n-0.029446 0.000000 7.682819\nMg Si O\n4 8 20\ndirect\n0.000090 0.847549 0.655915 Mg\n0.999909 0.347549 0.844085 Mg\n0.999909 0.152451 0.344085 Mg\n0.000091 0.652452 0.155914 Mg\n0.754986 0.000090 0.000023 Si\n0.245014 0.999910 0.999976 Si\n0.754986 0.499910 0.500023 Si\n0.245014 0.500091 0.499976 Si\n0.499924 0.114630 0.647221 Si\n0.499924 0.385370 0.147221 Si\n0.500076 0.885370 0.352778 Si\n0.500075 0.614630 0.852778 Si\n0.287483 0.000229 0.499632 O\n0.499857 0.153215 0.078802 O\n0.500143 0.653215 0.421198 O\n0.000139 0.152834 0.067936 O\n0.999861 0.652834 0.432064 O\n0.999860 0.847167 0.932064 O\n0.000139 0.347166 0.567936 O\n0.712516 0.500230 0.000368 O\n0.287483 0.499771 0.999632 O\n0.738513 0.619126 0.702458 O\n0.261893 0.880198 0.202115 O\n0.738107 0.380198 0.297884 O\n0.738107 0.119802 0.797885 O\n0.261892 0.619802 0.702115 O\n0.499857 0.346786 0.578802 O\n0.261486 0.119125 0.797542 O\n0.261487 0.380875 0.297542 O\n0.738513 0.880875 0.202458 O\n0.712516 0.999771 0.500368 O\n0.500142 0.846786 0.921198 O\n",
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},
{
"id": "jvasp-87881",
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"structure_string": "Y8 Hf4 S20\n1.0\n7.245971 -0.000000 0.000000\n-0.000000 7.732003 0.000000\n0.000000 0.000000 11.523752\nY Hf S\n8 4 20\ndirect\n0.023938 0.997506 0.178399 Y\n0.523937 0.002493 0.321601 Y\n0.976062 0.497506 0.821601 Y\n0.476062 0.502493 0.678398 Y\n0.523937 0.497506 0.321601 Y\n0.023938 0.502493 0.178399 Y\n0.476062 0.997506 0.678398 Y\n0.976062 0.002493 0.821601 Y\n0.075713 0.750000 0.494174 Hf\n0.924287 0.250000 0.505826 Hf\n0.424287 0.750000 0.994174 Hf\n0.575713 0.250000 0.005826 Hf\n0.338257 0.463551 0.907174 S\n0.838257 0.536449 0.592826 S\n0.661743 0.963550 0.092826 S\n0.161743 0.036449 0.407174 S\n0.311724 0.750000 0.207484 S\n0.338257 0.036449 0.907174 S\n0.838257 0.963550 0.592826 S\n0.667112 0.750000 0.819004 S\n0.167112 0.250000 0.680996 S\n0.332888 0.250000 0.180996 S\n0.832888 0.750000 0.319004 S\n0.447790 0.750000 0.496681 S\n0.947790 0.250000 0.003318 S\n0.552209 0.250000 0.503318 S\n0.052209 0.750000 0.996681 S\n0.188276 0.750000 0.707484 S\n0.688276 0.250000 0.792516 S\n0.811724 0.250000 0.292516 S\n0.161743 0.463551 0.407174 S\n0.661743 0.536449 0.092826 S\n",
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{
"id": "jvasp-112008",
"created_at": "2022-09-04T14:38:42.612424Z",
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"structure_string": "Sn1 H16 C9 O6\n1.0\n4.792273 -0.004336 -0.418844\n-0.471368 6.277800 -1.412228\n0.235952 0.015007 9.262890\nSn H C O\n1 16 9 6\ndirect\n0.943792 0.921931 0.101635 Sn\n0.166210 0.452911 0.504227 H\n0.977309 0.741686 0.841852 H\n0.296484 0.614905 0.678939 H\n0.731887 0.715129 0.571525 H\n0.427574 0.782682 0.479632 H\n0.435359 0.440993 0.285048 H\n0.775230 0.403512 0.359222 H\n0.297745 0.047432 0.308528 H\n0.141523 0.093844 0.577739 H\n0.598595 0.232702 0.518648 H\n0.669357 0.383134 0.701371 H\n0.509883 0.450902 0.938675 H\n0.216716 0.409360 0.039444 H\n0.043307 0.398457 0.789545 H\n0.987899 0.143969 0.823327 H\n0.418819 0.030733 0.691409 H\n0.343235 0.333385 0.949602 C\n0.151563 0.259936 0.806436 C\n0.499603 0.321124 0.615593 C\n0.301011 0.163683 0.668833 C\n0.542785 0.647832 0.499080 C\n0.357857 0.510856 0.576333 C\n0.749911 0.666858 0.259164 C\n0.470125 0.151441 0.999926 C\n0.626644 0.522938 0.348279 C\n0.609557 0.818620 0.226240 O\n0.829603 0.723625 0.906826 O\n0.135578 0.119645 0.280265 O\n0.327370 0.976278 0.993087 O\n0.729004 0.177975 0.049563 O\n-0.006226 0.646359 0.211837 O\n",
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{
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