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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1123",
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"results": [
{
"id": "jvasp-112794",
"created_at": "2022-09-04T14:38:44.242384Z",
"updated_at": "2022-09-04T14:38:44.242410Z",
"structure_string": "Tl2 Mo4 Cl14 O4\n1.0\n6.935799 -0.000000 0.000000\n0.000000 8.827978 0.000000\n-0.000000 -0.000000 9.499415\nTl Mo Cl O\n2 4 14 4\ndirect\n0.500000 0.445234 -0.000000 Tl\n-0.000000 0.554766 0.500000 Tl\n-0.000000 0.177307 0.815434 Mo\n0.500000 0.822694 0.684565 Mo\n0.500000 0.822694 0.315434 Mo\n-0.000000 0.177307 0.184566 Mo\n0.761471 0.098723 -0.000000 Cl\n0.741599 0.695559 0.193878 Cl\n0.741599 0.695559 0.806121 Cl\n0.238529 0.098723 -0.000000 Cl\n0.758401 0.304441 0.693878 Cl\n0.241599 0.304441 0.693878 Cl\n-0.000000 0.407897 -0.000000 Cl\n0.261471 0.901277 0.500000 Cl\n0.241599 0.304441 0.306121 Cl\n0.258401 0.695559 0.193878 Cl\n0.758401 0.304441 0.306121 Cl\n0.500000 0.592104 0.500000 Cl\n0.738529 0.901277 0.500000 Cl\n0.258401 0.695559 0.806121 Cl\n0.500000 0.992644 0.239958 O\n0.500000 0.992644 0.760042 O\n-0.000000 0.007356 0.739958 O\n-0.000000 0.007356 0.260042 O\n",
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"formula_full": "Tl2 Mo4 Cl14 O4",
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{
"id": "jvasp-28765",
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"structure_string": "Mo2 W2 S8\n1.0\n3.192042 -0.000000 0.000000\n-1.596021 2.764352 0.000036\n0.000000 0.000501 32.958080\nMo W S\n2 2 8\ndirect\n0.333366 0.666731 0.091370 Mo\n0.666633 0.333267 0.280700 Mo\n0.333363 0.666726 0.470318 W\n0.666612 0.333225 0.660526 W\n0.333321 0.666643 0.328225 S\n0.333255 0.666512 0.708295 S\n0.666723 0.333446 0.043880 S\n0.666720 0.333440 0.422514 S\n0.666683 0.333367 0.138903 S\n0.666702 0.333405 0.518123 S\n0.333326 0.666653 0.233175 S\n0.333289 0.666580 0.612720 S\n",
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"volume": 290.81971455767035,
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{
"id": "jvasp-32287",
"created_at": "2022-09-04T14:38:08.444204Z",
"updated_at": "2022-09-04T14:38:08.444218Z",
"structure_string": "Si6 C2 Cl16\n1.0\n7.572025 -0.018278 -3.758296\n-2.417444 8.503466 -0.851433\n0.003172 0.060791 9.023120\nSi C Cl\n6 2 16\ndirect\n0.112326 0.429837 0.604716 Si\n0.887675 0.570163 0.395284 Si\n0.691752 0.203825 0.338455 Si\n0.308249 0.796175 0.661545 Si\n0.982909 0.283890 0.216492 Si\n0.017092 0.716110 0.783508 Si\n0.909854 0.357193 0.377729 C\n0.090147 0.642807 0.622271 C\n0.095546 0.314702 0.784904 Cl\n0.904455 0.685299 0.215096 Cl\n0.716424 0.980909 0.300911 Cl\n0.356001 0.418062 0.614189 Cl\n0.467424 0.222866 0.129504 Cl\n0.532578 0.777134 0.870497 Cl\n0.627441 0.213913 0.531538 Cl\n0.372560 0.786087 0.468462 Cl\n0.100443 0.102612 0.275470 Cl\n0.899558 0.897388 0.724531 Cl\n0.762345 0.207599 0.979206 Cl\n0.237656 0.792401 0.020794 Cl\n0.169722 0.452165 0.193611 Cl\n0.830279 0.547835 0.806389 Cl\n0.644000 0.581939 0.385812 Cl\n0.283577 0.019091 0.699089 Cl\n",
"nsites": 24,
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"elements": [
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"density": 2.169153212323169,
"density_atomic": 0.04126322266732337,
"volume": 581.631740048403,
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"formula_full": "Si6 C2 Cl16",
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"formula_anonymous": "AB3C8",
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{
"id": "jvasp-58917",
"created_at": "2022-09-04T14:36:53.794607Z",
"updated_at": "2022-09-04T14:36:53.794631Z",
"structure_string": "Si6 C2 Cl16\n1.0\n8.452984 0.018176 -0.035100\n-1.823454 8.691548 0.141890\n-3.973014 -1.788021 7.901975\nSi C Cl\n6 2 16\ndirect\n0.112358 0.429862 0.604724 Si\n0.887643 0.570139 0.395276 Si\n0.691738 0.203831 0.338527 Si\n0.308263 0.796170 0.661474 Si\n0.982824 0.283897 0.216463 Si\n0.017177 0.716104 0.783538 Si\n0.909827 0.357188 0.377745 C\n0.090174 0.642812 0.622255 C\n0.237824 0.792307 0.020818 Cl\n0.762177 0.207694 0.979183 Cl\n0.899681 0.897410 0.724667 Cl\n0.100320 0.102590 0.275334 Cl\n0.372495 0.786065 0.468345 Cl\n0.627506 0.213936 0.531656 Cl\n0.532669 0.777178 0.870413 Cl\n0.904361 0.685248 0.215059 Cl\n0.283579 0.019079 0.699000 Cl\n0.716421 -0.019078 0.301001 Cl\n0.169668 0.452145 0.193598 Cl\n0.095640 0.314753 0.784941 Cl\n0.643973 0.581929 0.385837 Cl\n0.356028 0.418072 0.614163 Cl\n0.467332 0.222823 0.129588 Cl\n0.830333 0.547856 0.806402 Cl\n",
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{
"id": "jvasp-106248",
"created_at": "2022-09-04T14:38:39.712958Z",
"updated_at": "2022-09-04T14:38:39.712978Z",
"structure_string": "Ho2 Al1 Cd1\n1.0\n4.465447 -0.000000 2.578127\n1.488482 4.210063 2.578127\n-0.000000 -0.000000 5.156253\nHo Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.749999 0.750000 Ho\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
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],
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"density": 8.038380653334269,
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"volume": 96.936593176676,
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"formula_full": "Ho2 Al1 Cd1",
"formula_reduced": "Ho2AlCd",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-19671",
"created_at": "2022-09-04T14:38:13.592556Z",
"updated_at": "2022-09-04T14:38:13.592589Z",
"structure_string": "Y1 Cd2\n1.0\n2.459398 -4.259802 -0.000000\n2.459398 4.259802 0.000000\n0.000000 -0.000000 3.469706\nY Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.666667 0.333334 0.499839 Cd\n0.333334 0.666667 0.500162 Cd\n",
"nsites": 3,
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"elements": [
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"density": 7.165743679972165,
"density_atomic": 0.04126485784330486,
"volume": 72.70108651269095,
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"formula_full": "Y1 Cd2",
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"spacegroup": 191
},
{
"id": "jvasp-15797",
"created_at": "2022-09-04T14:36:43.298296Z",
"updated_at": "2022-09-04T14:36:43.298324Z",
"structure_string": "Tb1 Mg3\n1.0\n4.465335 -0.000000 2.578062\n1.488445 4.209959 2.578062\n0.000000 0.000000 5.156125\nTb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.750000 0.749998 Mg\n0.500001 0.500000 0.499998 Mg\n0.250000 0.250000 0.249999 Mg\n",
"nsites": 4,
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"density": 3.971757929055137,
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"volume": 96.92936107030123,
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"spacegroup": 225
},
{
"id": "jvasp-56474",
"created_at": "2022-09-04T14:37:39.154848Z",
"updated_at": "2022-09-04T14:37:39.154872Z",
"structure_string": "Ag2 Br2\n1.0\n0.000000 4.091983 -0.040912\n4.092767 0.000000 0.000000\n0.000000 -0.059144 -5.786428\nAg Br\n2 2\ndirect\n0.750078 0.750001 0.749927 Ag\n0.249923 0.250000 0.250073 Ag\n0.250057 0.250000 0.750039 Br\n0.749944 0.750001 0.249961 Br\n",
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{
"id": "jvasp-78883",
"created_at": "2022-09-04T14:36:43.878936Z",
"updated_at": "2022-09-04T14:36:43.878952Z",
"structure_string": "Li1 Mg1 Sb1\n1.0\n4.056828 -0.000000 2.342211\n1.352276 3.824814 2.342211\n-0.000000 -0.000000 4.684421\nLi Mg Sb\n1 1 1\ndirect\n0.500001 0.499999 0.499999 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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},
{
"id": "jvasp-78813",
"created_at": "2022-09-04T14:37:11.369878Z",
"updated_at": "2022-09-04T14:37:11.369903Z",
"structure_string": "Y1 Cd2\n1.0\n-0.000003 -0.000001 -3.467226\n-2.459995 -4.260844 0.000015\n-2.460001 4.260847 0.000000\nY Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500005 0.333334 0.666668 Cd\n0.499998 0.666665 0.333333 Cd\n",
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},
{
"id": "jvasp-38910",
"created_at": "2022-09-04T14:38:04.977353Z",
"updated_at": "2022-09-04T14:38:04.977375Z",
"structure_string": "Pr2 Ir1 Au1\n1.0\n-0.000002 3.645711 3.645715\n3.645707 -0.000003 3.645716\n3.645706 3.645711 -0.000002\nPr Ir Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500002 0.500002 Pr\n0.749999 0.750001 0.750001 Ir\n0.250000 0.250000 0.250000 Au\n",
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"formula_full": "Pr2 Ir1 Au1",
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{
"id": "jvasp-120094",
"created_at": "2022-09-04T14:38:53.021633Z",
"updated_at": "2022-09-04T14:38:53.021644Z",
"structure_string": "Tl1 Mo1 Cl1\n1.0\n2.900553 0.000000 0.000000\n0.000000 2.900553 0.000000\n0.000000 0.000000 8.639238\nTl Mo Cl\n1 1 1\ndirect\n0.000000 0.000000 0.661216 Tl\n0.000000 0.000000 0.016196 Mo\n0.000000 0.000000 0.273166 Cl\n",
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"formula_full": "Tl1 Mo1 Cl1",
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}
]
}