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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3859",
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"results": [
{
"id": "jvasp-11523",
"created_at": "2022-09-04T14:37:10.784712Z",
"updated_at": "2022-09-04T14:37:10.784731Z",
"structure_string": "Sb2 F8\n1.0\n5.145550 0.021103 0.414796\n-0.048163 5.138855 0.495666\n-1.808000 -1.907846 4.370075\nSb F\n2 8\ndirect\n0.498983 0.000453 -0.001293 Sb\n-0.001278 0.500636 -0.001148 Sb\n0.267142 0.222444 0.230083 F\n0.277294 0.232264 0.767500 F\n0.592432 0.640487 0.763853 F\n0.138466 0.772390 0.754628 F\n0.858844 0.907448 0.233660 F\n0.402721 0.768697 0.229444 F\n0.726993 0.361346 0.242701 F\n0.731047 0.096655 0.768045 F\n",
"nsites": 10,
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"elements": [
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"F"
],
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"density": 5.283715003439204,
"density_atomic": 0.08045181841914455,
"volume": 124.29799843555023,
"volume_molar": 7.485400427651433,
"formula_full": "Sb2 F8",
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"spacegroup": 5
},
{
"id": "jvasp-5218",
"created_at": "2022-09-04T14:37:09.630505Z",
"updated_at": "2022-09-04T14:37:09.630532Z",
"structure_string": "Sb2 Cl10\n1.0\n3.684157 -6.381147 0.000000\n3.684157 6.381147 0.000000\n0.000000 0.000000 7.894944\nSb Cl\n2 10\ndirect\n0.666668 0.333333 0.250000 Sb\n0.333333 0.666668 0.750000 Sb\n0.300709 0.150354 0.250000 Cl\n0.150355 0.849646 0.750000 Cl\n0.333333 0.666668 0.052216 Cl\n0.666668 0.333333 0.552216 Cl\n0.666668 0.333333 0.947783 Cl\n0.333333 0.666668 0.447784 Cl\n0.699292 0.849646 0.750000 Cl\n0.849646 0.150355 0.250000 Cl\n0.849646 0.699292 0.250000 Cl\n0.150354 0.300709 0.750000 Cl\n",
"nsites": 12,
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"elements": [
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],
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"density": 2.675288754017807,
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"volume": 371.20680423325996,
"volume_molar": 18.628830218020457,
"formula_full": "Sb2 Cl10",
"formula_reduced": "SbCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.2906577395833334,
"spacegroup": 194
},
{
"id": "jvasp-12461",
"created_at": "2022-09-04T14:37:27.952728Z",
"updated_at": "2022-09-04T14:37:27.952750Z",
"structure_string": "Sb4 Cl12\n1.0\n6.304463 -0.000000 0.000000\n0.000000 7.819758 0.000000\n0.000000 0.000000 9.093831\nSb Cl\n4 12\ndirect\n0.981231 0.026680 0.750000 Sb\n0.481231 0.473320 0.250000 Sb\n0.518768 0.526680 0.750000 Sb\n0.018769 0.973320 0.250000 Sb\n0.132947 0.180938 0.435456 Cl\n0.632947 0.319062 0.564544 Cl\n0.367053 0.680938 0.064544 Cl\n0.867052 0.819062 0.935456 Cl\n0.652203 0.059540 0.250000 Cl\n0.152204 0.440460 0.750000 Cl\n0.847796 0.559540 0.250000 Cl\n0.347796 0.940460 0.750000 Cl\n0.132947 0.180938 0.064544 Cl\n0.632947 0.319062 0.935456 Cl\n0.367053 0.680938 0.435456 Cl\n0.867052 0.819062 0.564544 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Cl"
],
"chemical_system": "Cl-Sb",
"density": 3.3797319367070315,
"density_atomic": 0.035688779033663645,
"volume": 448.3201844733301,
"volume_molar": 16.87404535279725,
"formula_full": "Sb4 Cl12",
"formula_reduced": "SbCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.255622075625,
"spacegroup": 62
},
{
"id": "jvasp-32786",
"created_at": "2022-09-04T14:38:29.358106Z",
"updated_at": "2022-09-04T14:38:29.358121Z",
"structure_string": "Sb4 Br12\n1.0\n6.727004 -0.000000 0.000000\n-0.000000 8.029006 0.000000\n0.000000 0.000000 9.809923\nSb Br\n4 12\ndirect\n0.477409 0.479537 0.250000 Sb\n0.977409 0.020463 0.750000 Sb\n0.522591 0.520464 0.750000 Sb\n0.022591 -0.020463 0.250000 Sb\n0.643252 0.313431 0.935722 Br\n0.653919 0.064232 0.250000 Br\n0.143252 0.186569 0.064278 Br\n0.143252 0.186569 0.435722 Br\n0.153920 0.435769 0.750000 Br\n0.346080 0.935769 0.750000 Br\n0.356748 0.686570 0.064278 Br\n0.856747 0.813431 0.935722 Br\n0.356748 0.686570 0.435722 Br\n0.856747 0.813431 0.564278 Br\n0.643252 0.313431 0.564278 Br\n0.846080 0.564232 0.250000 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Br"
],
"chemical_system": "Br-Sb",
"density": 4.531423826838439,
"density_atomic": 0.03019749484094967,
"volume": 529.8452763804437,
"volume_molar": 19.942517721150846,
"formula_full": "Sb4 Br12",
"formula_reduced": "SbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.18811460375,
"spacegroup": 62
},
{
"id": "jvasp-5344",
"created_at": "2022-09-04T14:37:42.498016Z",
"updated_at": "2022-09-04T14:37:42.498037Z",
"structure_string": "Sb4 Br12\n1.0\n4.225031 0.000000 0.000000\n0.000000 9.959519 0.000000\n0.000000 0.000000 12.582748\nSb Br\n4 12\ndirect\n0.206040 0.499948 0.981432 Sb\n0.706040 0.000053 0.018569 Sb\n0.793960 -0.000053 0.518569 Sb\n0.293960 0.500053 0.481432 Sb\n0.538107 0.317637 0.884105 Br\n0.038107 0.182363 0.115895 Br\n0.461893 0.817637 0.615895 Br\n0.961893 0.682363 0.384105 Br\n0.968014 0.499967 0.654742 Br\n0.468014 0.000033 0.345258 Br\n0.031985 -0.000033 0.845258 Br\n0.531985 0.500033 0.154742 Br\n0.962018 0.317729 0.384091 Br\n0.462018 0.182271 0.615909 Br\n0.037982 0.817729 0.115909 Br\n0.537982 0.682271 0.884091 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Br"
],
"chemical_system": "Br-Sb",
"density": 4.534610482743297,
"density_atomic": 0.030218730776700564,
"volume": 529.4729324745969,
"volume_molar": 19.928503299824985,
"formula_full": "Sb4 Br12",
"formula_reduced": "SbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.18917960375,
"spacegroup": 62
},
{
"id": "jvasp-20331",
"created_at": "2022-09-04T14:38:34.322117Z",
"updated_at": "2022-09-04T14:38:34.322131Z",
"structure_string": "Sb8 Au4\n1.0\n6.790863 0.000000 -0.000000\n0.000000 6.790863 0.000000\n0.000000 -0.000000 6.790863\nSb Au\n8 4\ndirect\n0.375942 0.124058 0.875942 Sb\n0.124058 0.875942 0.375942 Sb\n0.875942 0.375942 0.124058 Sb\n0.624058 0.624058 0.624058 Sb\n0.375942 0.375942 0.375942 Sb\n0.124058 0.624058 0.875942 Sb\n0.875942 0.124058 0.624058 Sb\n0.624058 0.875942 0.124058 Sb\n0.000000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"Au"
],
"chemical_system": "Au-Sb",
"density": 9.342580582805404,
"density_atomic": 0.03831830932675273,
"volume": 313.16621768648724,
"volume_molar": 15.716092034873563,
"formula_full": "Sb8 Au4",
"formula_reduced": "Sb2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0603732566666673,
"spacegroup": 205
},
{
"id": "jvasp-109369",
"created_at": "2022-09-04T14:38:28.462701Z",
"updated_at": "2022-09-04T14:38:28.462729Z",
"structure_string": "Sb3 Au1\n1.0\n3.074132 -0.000000 0.000000\n0.000000 3.074132 0.000000\n-0.000000 -0.000000 11.779252\nSb Au\n3 1\ndirect\n0.000000 0.000000 0.231919 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.768081 Sb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Au"
],
"chemical_system": "Au-Sb",
"density": 8.387126144684157,
"density_atomic": 0.03593331254823096,
"volume": 111.31731856424477,
"volume_molar": 16.759214035491077,
"formula_full": "Sb3 Au1",
"formula_reduced": "Sb3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3291889675,
"spacegroup": 123
},
{
"id": "jvasp-102124",
"created_at": "2022-09-04T14:37:03.311536Z",
"updated_at": "2022-09-04T14:37:03.311556Z",
"structure_string": "Sb1 Au3\n1.0\n4.306178 -0.000000 -0.000000\n0.000000 4.306178 -0.000000\n0.000000 0.000000 4.306178\nSb Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Au"
],
"chemical_system": "Au-Sb",
"density": 14.820244511739759,
"density_atomic": 0.05009380926212911,
"volume": 79.85018625892356,
"volume_molar": 12.021726534086387,
"formula_full": "Sb1 Au3",
"formula_reduced": "SbAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7405247024999999,
"spacegroup": 221
},
{
"id": "jvasp-18539",
"created_at": "2022-09-04T14:36:58.056898Z",
"updated_at": "2022-09-04T14:36:58.056923Z",
"structure_string": "Sb3 Au1\n1.0\n4.880925 0.000000 -1.725667\n-2.440462 4.227005 -1.725667\n0.000000 0.000000 5.177002\nSb Au\n3 1\ndirect\n0.499999 0.499999 -0.000001 Sb\n-0.000000 0.499999 0.499999 Sb\n0.500000 -0.000000 0.499999 Sb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Au"
],
"chemical_system": "Au-Sb",
"density": 8.74103144789873,
"density_atomic": 0.0374495637233663,
"volume": 106.8103230667074,
"volume_molar": 16.08067000321967,
"formula_full": "Sb3 Au1",
"formula_reduced": "Sb3Au",
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"energy_above_hull": 1.3252364675,
"spacegroup": 229
},
{
"id": "jvasp-109625",
"created_at": "2022-09-04T14:38:18.751160Z",
"updated_at": "2022-09-04T14:38:18.751188Z",
"structure_string": "S2 O8\n1.0\n4.405911 0.185095 1.935444\n2.219444 3.810561 1.935444\n0.713628 0.430378 8.718435\nS O\n2 8\ndirect\n0.143527 0.186076 0.434597 S\n0.186077 0.143527 0.934597 S\n0.821774 0.183743 -0.005129 O\n0.183743 0.821774 0.494870 O\n0.908426 0.357834 0.586205 O\n0.357834 0.908425 0.086206 O\n0.145953 0.507773 0.874366 O\n0.507773 0.145953 0.374366 O\n0.421032 0.971862 0.782958 O\n0.971862 0.421031 0.282958 O\n",
"nsites": 10,
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"elements": [
"S",
"O"
],
"chemical_system": "O-S",
"density": 2.3464501655453267,
"density_atomic": 0.07354919181930591,
"volume": 135.96342465010068,
"volume_molar": 8.187908814545601,
"formula_full": "S2 O8",
"formula_reduced": "SO4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.3423908,
"spacegroup": 15
},
{
"id": "jvasp-22625",
"created_at": "2022-09-04T14:35:43.844940Z",
"updated_at": "2022-09-04T14:35:43.844961Z",
"structure_string": "S4 O12\n1.0\n4.081527 0.000000 0.000000\n0.000000 5.742739 -2.042288\n0.000000 -0.123499 8.955103\nS O\n4 12\ndirect\n0.523908 0.387164 0.205488 S\n0.476093 0.612836 0.794511 S\n0.976093 0.887164 0.705488 S\n0.023907 0.112836 0.294511 S\n0.307082 0.652545 0.938886 O\n0.144067 0.093068 0.795178 O\n0.644068 0.406931 0.704821 O\n0.192918 0.152545 0.438886 O\n0.727226 0.837958 0.835027 O\n0.807083 0.847455 0.561113 O\n0.355933 0.593069 0.295179 O\n0.272774 0.162042 0.164973 O\n0.855933 0.906932 0.204821 O\n0.772775 0.337958 0.335027 O\n0.692918 0.347455 0.061113 O\n0.227226 0.662042 0.664973 O\n",
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"formula_full": "S4 O12",
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"spacegroup": 14
},
{
"id": "jvasp-5356",
"created_at": "2022-09-04T14:36:04.068120Z",
"updated_at": "2022-09-04T14:36:04.068137Z",
"structure_string": "S32 O4\n1.0\n8.010772 0.000000 0.000000\n0.000000 7.980139 0.000000\n0.000000 0.000000 13.210248\nS O\n32 4\ndirect\n0.010588 0.499954 0.854855 S\n0.186653 0.335498 0.763990 S\n0.813347 0.835498 0.236011 S\n0.813347 0.335498 0.263989 S\n0.186653 0.835498 0.736011 S\n0.437635 0.958279 0.703577 S\n0.562365 0.458279 0.296423 S\n0.562365 0.958279 0.203577 S\n0.437635 0.458279 0.796423 S\n0.549822 0.780151 0.620909 S\n0.450178 0.280150 0.379091 S\n0.450178 0.780151 0.120909 S\n0.549822 0.280150 0.879091 S\n0.535978 0.851832 0.467448 S\n0.464022 0.351832 0.532552 S\n0.535978 0.351832 0.032552 S\n0.464022 0.851832 0.967448 S\n0.029806 0.360751 0.478440 S\n0.676872 0.249603 0.594013 S\n0.676872 0.749603 0.905987 S\n0.323128 0.249603 0.094013 S\n0.139891 0.931679 0.407567 S\n0.860109 0.431679 0.592433 S\n0.860109 0.931679 0.907568 S\n0.139891 0.431679 0.092433 S\n0.970194 0.860751 0.521560 S\n0.323128 0.749603 0.405987 S\n0.029806 0.860751 0.021560 S\n0.970194 0.360751 0.978440 S\n0.010588 -0.000046 0.645145 S\n0.989412 0.499954 0.354855 S\n0.989412 -0.000046 0.145145 S\n0.808580 0.173454 0.319421 O\n0.808580 0.673454 0.180579 O\n0.191419 0.673454 0.680579 O\n0.191419 0.173454 0.819421 O\n",
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"density": 2.143436958511249,
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"volume": 844.4925022114048,
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"formula_full": "S32 O4",
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"spacegroup": 29
}
]
}