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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4546",
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"results": [
{
"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-28397",
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"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-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",
"nsites": 28,
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"S",
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"volume": 630.9374824621343,
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"formula_full": "Tb6 Si4 S16 I2",
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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",
"nsites": 40,
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"elements": [
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"H"
],
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"density_atomic": 0.06337442077952427,
"volume": 631.1694767066599,
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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",
"nsites": 24,
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"elements": [
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"volume": 631.1729703678462,
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"formula_full": "Sn8 Cl16",
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"spacegroup": 62
},
{
"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-119097",
"created_at": "2022-09-04T14:38:34.387714Z",
"updated_at": "2022-09-04T14:38:34.387747Z",
"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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"density_atomic": 0.04750250621081901,
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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",
"nsites": 24,
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],
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"formula_full": "Sb2 S16 Cl6",
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"spacegroup": 2
},
{
"id": "jvasp-80149",
"created_at": "2022-09-04T14:37:13.336516Z",
"updated_at": "2022-09-04T14:37:13.336542Z",
"structure_string": "Cu1 Si1 Ir2\n1.0\n-7.987580 0.000000 -4.611631\n-8.252627 -0.018304 5.070707\n-5.404774 8.036642 0.138080\nCu Si Ir\n1 1 2\ndirect\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Si\n0.767234 0.000000 0.000000 Ir\n0.232766 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.0063307064028700405,
"volume": 631.8410214358686,
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"formula_full": "Cu1 Si1 Ir2",
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"spacegroup": 71
},
{
"id": "jvasp-57864",
"created_at": "2022-09-04T14:38:34.644401Z",
"updated_at": "2022-09-04T14:38:34.644414Z",
"structure_string": "Mn4 Sb8 S16\n1.0\n3.845986 0.000000 0.000000\n0.000000 11.475614 0.000000\n0.000000 0.000000 14.319899\nMn Sb S\n4 8 16\ndirect\n0.750001 0.683285 0.666398 Mn\n0.250000 0.816714 0.166398 Mn\n0.750001 0.183285 0.833602 Mn\n0.250000 0.316714 0.333602 Mn\n0.250000 0.458067 0.886876 Sb\n0.750001 0.541933 0.113124 Sb\n0.750001 0.041933 0.386876 Sb\n0.250000 0.958067 0.613124 Sb\n0.750001 0.358453 0.562515 Sb\n0.250000 0.141547 0.062515 Sb\n0.750001 0.858453 0.937485 Sb\n0.250000 0.641546 0.437485 Sb\n0.750001 0.578300 0.818541 S\n0.250000 0.224237 0.491061 S\n0.750001 0.775762 0.508939 S\n0.250000 0.921700 0.318541 S\n0.750001 0.078300 0.681459 S\n0.250000 0.421700 0.181459 S\n0.250000 0.303698 0.767613 S\n0.250000 0.044572 0.902391 S\n0.250000 0.803698 0.732387 S\n0.750001 0.196302 0.267613 S\n0.250000 0.544572 0.597609 S\n0.750001 0.955428 0.097609 S\n0.250000 0.724237 0.008939 S\n0.750001 0.275763 0.991061 S\n0.750001 0.696302 0.232387 S\n0.750001 0.455428 0.402391 S\n",
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"volume": 632.0094696068559,
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"formula_full": "Mn4 Sb8 S16",
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{
"id": "jvasp-96477",
"created_at": "2022-09-04T14:35:56.478455Z",
"updated_at": "2022-09-04T14:35:56.478473Z",
"structure_string": "Na4 Lu4 Cl16\n1.0\n6.119189 0.000000 0.000000\n0.000000 6.553277 0.000000\n0.000000 0.000000 15.761535\nNa Lu Cl\n4 4 16\ndirect\n0.000000 0.250000 0.680624 Na\n0.500000 0.750000 0.819376 Na\n0.000000 0.750000 0.319376 Na\n0.500000 0.250000 0.180624 Na\n0.500000 0.250000 0.427246 Lu\n0.000000 0.250000 0.927245 Lu\n0.000000 0.750000 0.072754 Lu\n0.500000 0.750000 0.572754 Lu\n0.756242 0.401774 0.816913 Cl\n0.243758 0.598227 0.183086 Cl\n0.743758 0.901774 0.683086 Cl\n0.263641 0.575840 0.449779 Cl\n0.256242 0.098227 0.316913 Cl\n0.743758 0.401774 0.316913 Cl\n0.236359 0.575840 0.949779 Cl\n0.756242 0.901774 0.183086 Cl\n0.763641 0.924161 0.949779 Cl\n0.263641 0.075840 0.550221 Cl\n0.736359 0.424161 0.550221 Cl\n0.236359 0.075840 0.050221 Cl\n0.763641 0.424161 0.050221 Cl\n0.256242 0.598227 0.683086 Cl\n0.736359 0.924161 0.449779 Cl\n0.243758 0.098227 0.816913 Cl\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.570603632141067,
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"volume": 632.0492254266005,
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"formula_full": "Na4 Lu4 Cl16",
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"formula_anonymous": "ABC4",
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"spacegroup": 60
},
{
"id": "jvasp-62522",
"created_at": "2022-09-04T14:36:02.948488Z",
"updated_at": "2022-09-04T14:36:02.948519Z",
"structure_string": "K4 As8 F28\n1.0\n0.000000 8.548832 -0.002756\n7.286554 0.000000 0.000000\n0.000000 -3.682463 -10.154914\nK As F\n4 8 28\ndirect\n0.228349 0.843889 0.078263 K\n0.271651 0.343889 0.921737 K\n0.771651 0.156111 0.921737 K\n0.728349 0.656110 0.078263 K\n0.665774 0.185325 0.232790 As\n0.834226 0.685325 0.767210 As\n0.334226 0.814674 0.767210 As\n0.165774 0.314674 0.232790 As\n0.872695 0.169927 0.595149 As\n0.372695 0.330072 0.595149 As\n0.127305 0.830072 0.404851 As\n0.627305 0.669927 0.404851 As\n0.790150 0.504065 0.864663 F\n0.596811 0.325319 0.070272 F\n0.209850 0.495934 0.135337 F\n0.290150 0.995934 0.864663 F\n0.709850 0.004066 0.135337 F\n0.295843 0.002215 0.620757 F\n0.551468 0.874254 0.812902 F\n0.051468 0.625745 0.812902 F\n0.448532 0.125745 0.187098 F\n0.204157 0.502215 0.379243 F\n0.903190 0.825319 0.929728 F\n0.948532 0.374255 0.187098 F\n0.403190 0.674680 0.929728 F\n0.814700 0.616630 0.372940 F\n0.522245 0.706880 0.231097 F\n0.977755 0.206881 0.768904 F\n0.477755 0.293119 0.768903 F\n0.022245 0.793119 0.231096 F\n0.795843 0.497785 0.620757 F\n0.685300 0.116630 0.627060 F\n0.185300 0.383369 0.627060 F\n0.314700 0.883369 0.372940 F\n0.555097 0.432367 0.381010 F\n0.944904 0.932366 0.618990 F\n0.444904 0.567633 0.618990 F\n0.055097 0.067633 0.381010 F\n0.096811 0.174680 0.070272 F\n0.704157 -0.002215 0.379243 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"As",
"F"
],
"chemical_system": "As-F-K",
"density": 3.3799866492657706,
"density_atomic": 0.0632272077513174,
"volume": 632.6390397837323,
"volume_molar": 9.524603369622188,
"formula_full": "K4 As8 F28",
"formula_reduced": "KAs2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.2701422032500002,
"spacegroup": 14
}
]
}