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{
"id": "jvasp-5446",
"created_at": "2022-09-04T14:38:03.665880Z",
"updated_at": "2022-09-04T14:38:03.665907Z",
"structure_string": "Sb2 S16 Cl6\n1.0\n8.067086 -0.153858 0.024194\n-3.052966 7.976211 0.175391\n-3.261653 -2.143705 9.827920\nSb S Cl\n2 16 6\ndirect\n0.811920 0.076941 0.845582 Sb\n0.188080 0.923058 0.154417 Sb\n0.161734 0.236182 0.649668 S\n0.838266 0.763817 0.350332 S\n0.348226 0.490025 0.740962 S\n0.651774 0.509974 0.259038 S\n0.288951 0.549401 0.909669 S\n0.711049 0.450598 0.090331 S\n0.885477 0.319471 0.140594 S\n0.114523 0.680528 0.859406 S\n0.936526 0.235562 0.490840 S\n0.291449 0.802779 0.443634 S\n0.708551 0.197220 0.556366 S\n0.299312 0.568976 0.389480 S\n0.700688 0.431023 0.610520 S\n0.166711 0.493591 0.182267 S\n0.833289 0.506408 0.817733 S\n0.063474 0.764437 0.509160 S\n0.756280 0.846627 0.670866 Cl\n0.484023 0.038892 0.792723 Cl\n0.515977 0.961107 0.207277 Cl\n0.772770 0.880086 0.006740 Cl\n0.227230 0.119913 -0.006740 Cl\n0.243720 0.153372 0.329133 Cl\n",
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{
"id": "jvasp-119097",
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"structure_string": "K6 Mo6 Se8 C6 N4\n1.0\n9.120568 0.045201 -2.396244\n-5.415364 7.338981 -2.396244\n-0.022681 -0.045201 9.430071\nK Mo Se C N\n6 6 8 6 4\ndirect\n0.871759 0.780881 0.652641 K\n0.128241 0.219119 0.347360 K\n0.780882 0.128241 0.909124 K\n0.219119 0.871759 0.090877 K\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.343073 0.554191 0.897264 Mo\n0.656927 0.445809 0.102737 Mo\n0.445810 0.343073 0.788882 Mo\n0.292319 0.292319 0.000000 Mo\n0.707681 0.707681 0.000001 Mo\n0.554191 0.656927 0.211119 Mo\n0.896342 0.789549 0.301990 Se\n0.210451 0.512440 0.106792 Se\n0.789549 0.487559 0.893209 Se\n0.405649 0.103659 0.893209 Se\n0.103659 0.210451 0.698011 Se\n0.594351 0.896341 0.106792 Se\n0.512441 0.405649 0.301990 Se\n0.607210 0.837529 0.444740 Se\n0.162471 0.607210 0.769680 C\n0.837530 0.392790 0.230321 C\n0.392790 0.162471 0.555261 C\n0.066115 0.066115 0.000000 C\n0.933885 0.933884 0.000001 C\n0.487560 0.594351 0.698011 C\n0.936813 0.366954 0.303768 N\n0.633047 0.936813 0.569861 N\n0.366954 0.063187 0.430141 N\n0.063187 0.633046 0.696233 N\n",
"nsites": 30,
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],
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"density_atomic": 0.04750250621081901,
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"volume_molar": 12.677522178037036,
"formula_full": "K6 Mo6 Se8 C6 N4",
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{
"id": "jvasp-55221",
"created_at": "2022-09-04T14:38:35.891306Z",
"updated_at": "2022-09-04T14:38:35.891341Z",
"structure_string": "Tb16 In4 Rh4\n1.0\n8.339008 -0.000000 4.814529\n2.779670 7.862092 4.814529\n-0.000000 -0.000000 9.629058\nTb In Rh\n16 4 4\ndirect\n0.810209 0.189791 0.810209 Tb\n0.437834 0.437834 0.062166 Tb\n0.810209 0.189791 0.189791 Tb\n0.650191 0.049427 0.650191 Tb\n0.437834 0.062166 0.062166 Tb\n0.062166 0.062166 0.437834 Tb\n0.650191 0.650191 0.049427 Tb\n0.810209 0.810209 0.189791 Tb\n0.062166 0.437834 0.437834 Tb\n0.650191 0.650191 0.650191 Tb\n0.437834 0.062166 0.437834 Tb\n0.062166 0.437834 0.062166 Tb\n0.049427 0.650191 0.650191 Tb\n0.189791 0.810209 0.189791 Tb\n0.189791 0.810209 0.810209 Tb\n0.189791 0.189791 0.810209 Tb\n0.416912 0.416912 0.416912 In\n0.416912 0.749264 0.416912 In\n0.749264 0.416912 0.416912 In\n0.416912 0.416912 0.749264 In\n0.857641 0.427079 0.857641 Rh\n0.427080 0.857640 0.857641 Rh\n0.857641 0.857640 0.857641 Rh\n0.857641 0.857640 0.427080 Rh\n",
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{
"id": "jvasp-5641",
"created_at": "2022-09-04T14:38:37.886485Z",
"updated_at": "2022-09-04T14:38:37.886509Z",
"structure_string": "Sn8 Cl16\n1.0\n0.000000 9.230912 -0.006798\n4.409452 0.000000 0.000000\n0.000000 -0.010921 -15.506684\nSn Cl\n8 16\ndirect\n0.577373 0.749800 0.383845 Sn\n0.422627 0.249800 0.116155 Sn\n0.422627 0.250200 0.616155 Sn\n0.577373 0.750200 0.883845 Sn\n0.077381 0.250084 0.366158 Sn\n0.922619 0.750084 0.133842 Sn\n0.922619 0.749916 0.633842 Sn\n0.077381 0.249916 0.866158 Sn\n0.078800 0.249939 0.571392 Cl\n0.921200 0.749939 0.928608 Cl\n0.421202 0.249962 0.321392 Cl\n0.578798 0.749961 0.178608 Cl\n0.578798 0.750038 0.678608 Cl\n0.421202 0.250038 0.821392 Cl\n0.344330 0.750051 0.990159 Cl\n0.844320 0.250157 0.259845 Cl\n0.655670 0.249948 0.009841 Cl\n0.344330 0.749948 0.490159 Cl\n0.078800 0.250060 0.071392 Cl\n0.155680 0.750156 0.240155 Cl\n0.155680 0.749843 0.740155 Cl\n0.844320 0.249843 0.759845 Cl\n0.655670 0.250051 0.509841 Cl\n0.921200 0.750060 0.428608 Cl\n",
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{
"id": "jvasp-88209",
"created_at": "2022-09-04T14:36:02.444180Z",
"updated_at": "2022-09-04T14:36:02.444207Z",
"structure_string": "K12 Al4 H24\n1.0\n3.214563 0.000000 0.000000\n0.000000 12.985310 0.000000\n0.000000 0.000000 15.120694\nK Al H\n12 4 24\ndirect\n0.499999 0.472002 0.720376 K\n0.499999 0.747454 0.118175 K\n0.499999 0.252546 0.881825 K\n0.499999 0.702687 0.854640 K\n0.499999 0.297313 0.145360 K\n0.000000 0.027998 0.220376 K\n0.000000 0.797313 0.354640 K\n0.000000 0.202687 0.645360 K\n0.499999 0.527998 0.279623 K\n0.000000 0.247454 0.381825 K\n0.000000 0.752546 0.618175 K\n0.000000 0.972002 0.779623 K\n0.000000 0.500000 0.000000 Al\n0.499999 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.499999 0.000000 0.500000 Al\n0.499999 0.880210 0.248124 H\n0.000000 0.405124 0.573483 H\n0.499999 0.439841 0.445644 H\n0.000000 0.939841 0.054356 H\n0.000000 0.370474 0.007033 H\n0.499999 0.870474 0.492967 H\n0.499999 0.119790 0.751876 H\n0.000000 0.995080 0.574076 H\n0.499999 0.560159 0.554356 H\n0.499999 0.129526 0.507033 H\n0.499999 0.495080 0.925924 H\n0.000000 0.666139 0.225716 H\n0.000000 0.594876 0.426517 H\n0.499999 0.166139 0.274284 H\n0.499999 0.504920 0.074076 H\n0.000000 0.004920 0.425924 H\n0.000000 0.629526 0.992967 H\n0.000000 0.380210 0.251876 H\n0.000000 0.619790 0.748124 H\n0.000000 0.060159 0.945644 H\n0.000000 0.333861 0.774284 H\n0.499999 0.094876 0.073483 H\n0.499999 0.833861 0.725716 H\n0.499999 0.905124 0.926517 H\n",
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],
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{
"id": "jvasp-57065",
"created_at": "2022-09-04T14:37:43.586762Z",
"updated_at": "2022-09-04T14:37:43.586777Z",
"structure_string": "Tb6 Si4 S16 I2\n1.0\n7.629865 -0.000000 -0.000000\n-3.814932 7.749657 -1.267650\n-0.000000 -0.066296 10.681399\nTb Si S I\n6 4 16 2\ndirect\n0.924044 0.597912 0.320354 Tb\n0.326132 0.402088 0.179646 Tb\n0.075957 0.402088 0.679646 Tb\n0.617822 -0.000000 0.250000 Tb\n0.673869 0.597912 0.820354 Tb\n0.382178 -0.000000 0.750000 Tb\n0.696713 0.315080 0.022899 Si\n0.618368 0.315079 0.522899 Si\n0.303288 0.684920 0.977101 Si\n0.381633 0.684920 0.477101 Si\n0.266753 0.865645 0.469866 S\n0.388517 0.285788 0.643685 S\n0.598892 0.865644 0.969866 S\n0.849525 0.566228 0.586771 S\n0.897272 0.285789 0.143685 S\n0.283296 0.433771 0.913229 S\n0.733248 0.134355 0.530134 S\n0.102729 0.714211 0.856315 S\n0.548304 0.292714 0.326546 S\n0.451697 0.707286 0.673455 S\n0.401109 0.134355 0.030134 S\n0.744411 0.292714 0.826546 S\n0.150476 0.433772 0.413229 S\n0.255590 0.707286 0.173455 S\n0.716704 0.566228 0.086771 S\n0.611484 0.714212 0.356315 S\n0.023581 -0.000000 0.250000 I\n0.976420 -0.000000 0.750000 I\n",
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{
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"created_at": "2022-09-04T14:35:41.296429Z",
"updated_at": "2022-09-04T14:35:41.296449Z",
"structure_string": "Si4 S4\n1.0\n0.000000 -3.958761 0.000000\n-6.655928 0.000000 0.000000\n0.000000 0.000000 -23.940451\nSi S\n4 4\ndirect\n0.000000 0.000000 0.521726 Si\n0.000000 0.500000 0.521726 Si\n0.500000 0.000000 0.466184 Si\n0.500000 0.500000 0.466184 Si\n0.052490 0.750000 0.579275 S\n0.947510 0.250000 0.579275 S\n0.447487 0.750000 0.408634 S\n0.552513 0.250000 0.408634 S\n",
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{
"id": "jvasp-54899",
"created_at": "2022-09-04T14:38:35.708156Z",
"updated_at": "2022-09-04T14:38:35.708180Z",
"structure_string": "Dy16 Mg4 Rh4\n1.0\n8.335964 0.000000 4.812771\n2.778654 7.859222 4.812771\n0.000000 -0.000000 9.625541\nDy Mg Rh\n16 4 4\ndirect\n0.934795 0.934796 0.565205 Dy\n0.347063 0.958806 0.347064 Dy\n0.187513 0.812487 0.187513 Dy\n0.934795 0.565204 0.565204 Dy\n0.812486 0.187513 0.812487 Dy\n0.812486 0.812487 0.187513 Dy\n0.958806 0.347064 0.347064 Dy\n0.565204 0.934796 0.565205 Dy\n0.347064 0.347064 0.958806 Dy\n0.187513 0.187513 0.812487 Dy\n0.812486 0.187513 0.187513 Dy\n0.565204 0.934796 0.934796 Dy\n0.565204 0.565204 0.934796 Dy\n0.187513 0.812487 0.812487 Dy\n0.347064 0.347064 0.347064 Dy\n0.934795 0.565204 0.934796 Dy\n0.579893 0.579894 0.260320 Mg\n0.579893 0.260319 0.579894 Mg\n0.579893 0.579894 0.579894 Mg\n0.260319 0.579894 0.579894 Mg\n0.141868 0.141869 0.574395 Rh\n0.141868 0.141869 0.141869 Rh\n0.574395 0.141869 0.141869 Rh\n0.141868 0.574395 0.141869 Rh\n",
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},
{
"id": "jvasp-49233",
"created_at": "2022-09-04T14:38:35.409167Z",
"updated_at": "2022-09-04T14:38:35.409189Z",
"structure_string": "Na8 Se16\n1.0\n8.567923 0.062027 -3.898978\n-5.035470 7.787809 -1.615318\n0.040106 -0.062027 9.413274\nNa Se\n8 16\ndirect\n0.496175 0.875000 0.871174 Na\n0.003826 0.128825 0.625000 Na\n0.996174 0.621175 0.125000 Na\n0.503826 0.375000 0.378825 Na\n0.500000 0.943354 0.443353 Na\n0.500000 0.556647 0.056647 Na\n0.000000 0.806646 0.806646 Na\n0.000000 0.193353 0.193352 Na\n0.743677 0.723110 0.432981 Se\n0.756323 0.729434 0.939304 Se\n0.243677 0.182982 0.973109 Se\n0.709872 0.020567 0.276890 Se\n0.790128 0.060695 0.817018 Se\n0.209872 0.026890 0.270566 Se\n0.240169 0.018710 0.536600 Se\n0.482110 0.463400 0.703569 Se\n0.740169 0.286600 0.268709 Se\n0.517891 0.221460 0.981290 Se\n0.256323 0.689305 0.979433 Se\n0.017891 0.731290 0.471459 Se\n0.982110 0.453569 0.713399 Se\n0.259831 0.528540 0.546430 Se\n0.759831 0.296431 0.778540 Se\n0.290128 0.567018 0.310695 Se\n",
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},
{
"id": "jvasp-95603",
"created_at": "2022-09-04T14:36:22.031105Z",
"updated_at": "2022-09-04T14:36:22.031125Z",
"structure_string": "K8 Si8 H8 O24\n1.0\n5.779972 4.843379 0.000000\n-5.779972 4.843379 0.000000\n0.000000 0.000000 11.251870\nK Si H O\n8 8 8 24\ndirect\n0.318488 0.318488 0.543366 K\n0.681513 0.681513 0.456634 K\n0.181512 0.181512 0.043366 K\n0.818488 0.818488 0.956634 K\n0.012494 0.512493 0.250000 K\n0.487507 0.987507 0.750000 K\n0.987507 0.487507 0.750000 K\n0.512493 0.012494 0.250000 K\n0.198990 0.801010 0.500000 Si\n0.698990 0.301010 0.000000 Si\n0.801010 0.198990 0.500000 Si\n0.301010 0.698990 0.000000 Si\n0.515520 0.515520 0.186149 Si\n0.015520 0.015520 0.313851 Si\n0.484480 0.484480 0.813851 Si\n0.984480 0.984480 0.686149 Si\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.331741 0.331741 0.310930 H\n0.831741 0.831741 0.189070 H\n0.168259 0.168259 0.810930 H\n0.668260 0.668260 0.689070 H\n0.679059 0.679059 0.200303 O\n0.320941 0.320941 0.799697 O\n0.561764 0.561764 0.683054 O\n0.438236 0.438236 0.316946 O\n0.938236 0.938236 0.183054 O\n0.061764 0.061764 0.816946 O\n0.409257 0.861103 0.464948 O\n0.138897 0.590743 0.535052 O\n0.638897 0.090743 0.964948 O\n0.909257 0.361103 0.035052 O\n0.590743 0.138897 0.535052 O\n0.361103 0.909257 0.035052 O\n0.090743 0.638897 0.964948 O\n0.565905 0.338167 0.112875 O\n0.661833 0.434095 0.887125 O\n0.161833 0.934095 0.612875 O\n0.065905 0.838167 0.387125 O\n0.434095 0.661833 0.887125 O\n0.338167 0.565905 0.112875 O\n0.838167 0.065905 0.387125 O\n0.934095 0.161833 0.612875 O\n0.179059 0.179059 0.299697 O\n0.861103 0.409257 0.464948 O\n0.820941 0.820941 0.700303 O\n",
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{
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"spacegroup": 14
},
{
"id": "jvasp-26224",
"created_at": "2022-09-04T14:38:31.191796Z",
"updated_at": "2022-09-04T14:38:31.191812Z",
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"elements": [
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],
"chemical_system": "Au-In-Na",
"density": 5.228202306812588,
"density_atomic": 0.038119560486392805,
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"formula_full": "Na12 In8 Au4",
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}
]
}