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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4076",
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"results": [
{
"id": "jvasp-29478",
"created_at": "2022-09-04T14:38:29.036109Z",
"updated_at": "2022-09-04T14:38:29.036125Z",
"structure_string": "In2 Sb4 S8 Br2\n1.0\n3.858055 0.000000 0.672035\n1.241106 9.329718 4.285274\n0.020068 -0.014590 11.295078\nIn Sb S Br\n2 4 8 2\ndirect\n0.662559 0.105994 0.568887 In\n0.337441 0.894006 0.431113 In\n0.293843 0.312325 0.099990 Sb\n0.951879 0.314645 0.781596 Sb\n0.048121 0.685355 0.218404 Sb\n0.706157 0.687675 0.900011 Sb\n0.679635 0.507240 0.133490 S\n0.102106 0.822238 0.973551 S\n0.213939 0.920347 0.651778 S\n0.535396 0.139721 0.789487 S\n0.786062 0.079654 0.348222 S\n0.464605 0.860280 0.210513 S\n0.320366 0.492761 0.866510 S\n0.897894 0.177763 0.026449 S\n0.897982 0.671344 0.532692 Br\n0.102018 0.328657 0.467308 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Sb",
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"Br"
],
"chemical_system": "Br-In-S-Sb",
"density": 4.626410095971298,
"density_atomic": 0.03934445819580853,
"volume": 406.6646418250722,
"volume_molar": 15.306198219909799,
"formula_full": "In2 Sb4 S8 Br2",
"formula_reduced": "InSb2S4Br",
"formula_anonymous": "ABC2D4",
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"spacegroup": 12
},
{
"id": "jvasp-25902",
"created_at": "2022-09-04T14:38:29.997345Z",
"updated_at": "2022-09-04T14:38:29.997355Z",
"structure_string": "In2 Sb4 S8 Cl2\n1.0\n3.901599 -0.000009 -0.000614\n-1.950501 9.997008 -0.068739\n-1.948711 -4.462781 10.183090\nIn Sb S Cl\n2 4 8 2\ndirect\n0.274438 0.112430 0.436508 In\n0.725563 0.887570 0.563492 In\n0.773853 0.323232 0.224555 Sb\n0.104327 0.307402 0.901080 Sb\n0.226148 0.676769 0.775445 Sb\n0.895674 0.692598 0.098920 Sb\n0.632993 0.918937 0.347019 S\n0.317078 0.498044 0.136129 S\n0.181209 0.145077 0.217362 S\n0.577171 0.175423 0.978827 S\n0.818792 0.854923 0.782638 S\n0.367008 0.081063 0.652981 S\n0.682923 0.501956 0.863872 S\n0.422830 0.824577 0.021173 S\n0.074767 0.678397 0.470996 Cl\n0.925234 0.321603 0.529005 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-In-S-Sb",
"density": 4.37854317183468,
"density_atomic": 0.040407091741822304,
"volume": 395.9700960967606,
"volume_molar": 14.903672846533867,
"formula_full": "In2 Sb4 S8 Cl2",
"formula_reduced": "InSb2S4Cl",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.4476557796875,
"spacegroup": 12
},
{
"id": "jvasp-29426",
"created_at": "2022-09-04T14:37:57.715293Z",
"updated_at": "2022-09-04T14:37:57.715311Z",
"structure_string": "In2 Sb4 S8 Cl2\n1.0\n3.844796 0.000082 0.663944\n1.228525 9.128025 4.350558\n0.030287 -0.002237 11.286913\nIn Sb S Cl\n2 4 8 2\ndirect\n0.837972 0.887582 0.436492 In\n0.162029 0.112418 0.563508 In\n0.549383 0.676744 0.224556 Sb\n0.203074 0.692592 0.901063 Sb\n0.450617 0.323256 0.775444 Sb\n0.796926 0.307408 0.098937 Sb\n0.285938 0.081073 0.347019 S\n0.180956 0.501973 0.136125 S\n0.963866 0.854917 0.217366 S\n0.598268 0.824556 0.978813 S\n0.036135 0.145083 0.782634 S\n0.714063 0.918927 0.652980 S\n0.819045 0.498027 0.863874 S\n0.401733 0.175444 0.021186 S\n0.603676 0.321580 0.470957 Cl\n0.396324 0.678420 0.529043 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-In-S-Sb",
"density": 4.378548967034429,
"density_atomic": 0.04040714522243417,
"volume": 395.9695720131387,
"volume_molar": 14.903653120875488,
"formula_full": "In2 Sb4 S8 Cl2",
"formula_reduced": "InSb2S4Cl",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.4476620296875,
"spacegroup": 12
},
{
"id": "jvasp-29619",
"created_at": "2022-09-04T14:38:09.518071Z",
"updated_at": "2022-09-04T14:38:09.518084Z",
"structure_string": "In2 Sb4 Se8 Br2\n1.0\n4.003904 0.000116 0.693532\n1.270325 9.586660 4.571958\n0.021968 -0.007854 11.776928\nIn Sb Se Br\n2 4 8 2\ndirect\n0.662410 0.112242 0.562822 In\n0.337588 0.887759 0.437178 In\n0.703568 0.687822 0.904968 Sb\n0.296430 0.312179 0.095033 Sb\n0.048608 0.678109 0.224713 Sb\n0.951390 0.321891 0.775287 Sb\n0.098067 0.828200 0.975622 Se\n0.678854 0.499200 0.143107 Se\n0.321144 0.500800 0.856893 Se\n0.462816 0.860676 0.213702 Se\n0.213792 0.916199 0.656193 Se\n0.537182 0.139325 0.786298 Se\n0.786206 0.083802 0.343807 Se\n0.901931 0.171801 0.024378 Se\n0.102159 0.327373 0.468194 Br\n0.897839 0.672628 0.531806 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-In-Sb-Se",
"density": 5.540196460780698,
"density_atomic": 0.0353954534773725,
"volume": 452.0354573286773,
"volume_molar": 17.01388220340168,
"formula_full": "In2 Sb4 Se8 Br2",
"formula_reduced": "InSb2Se4Br",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1415137177083332,
"spacegroup": 12
},
{
"id": "jvasp-51607",
"created_at": "2022-09-04T14:38:30.557105Z",
"updated_at": "2022-09-04T14:38:30.557116Z",
"structure_string": "In4 Si2 Ag4 Se12\n1.0\n7.126819 0.021202 2.135749\n3.155020 6.390449 2.135749\n0.028468 0.017753 12.781211\nIn Si Ag Se\n4 2 4 12\ndirect\n0.513857 0.319443 0.938877 In\n0.319444 0.513856 0.438877 In\n0.294993 0.173441 0.740553 In\n0.173441 0.294992 0.240553 In\n0.404360 0.934350 0.497898 Si\n0.934351 0.404359 0.997897 Si\n0.801070 0.396638 0.584862 Ag\n0.802800 0.992043 0.247985 Ag\n0.396639 0.801070 0.084862 Ag\n0.992044 0.802799 0.747985 Ag\n0.646191 0.605047 0.912358 Se\n0.046992 0.529052 0.627326 Se\n0.167755 0.649598 0.252555 Se\n0.604220 0.109385 0.453643 Se\n0.824788 0.363986 0.186113 Se\n0.109386 0.604220 0.953643 Se\n0.085270 0.100322 0.444931 Se\n0.649599 0.167755 0.752555 Se\n0.100323 0.085269 0.944931 Se\n0.605048 0.646190 0.412358 Se\n0.529053 0.046992 0.127326 Se\n0.363987 0.824787 0.686113 Se\n",
"nsites": 22,
"nelements": 4,
"elements": [
"In",
"Si",
"Ag",
"Se"
],
"chemical_system": "Ag-In-Se-Si",
"density": 5.417142764406202,
"density_atomic": 0.03788471045690516,
"volume": 580.7092025957429,
"volume_molar": 15.895966175722368,
"formula_full": "In4 Si2 Ag4 Se12",
"formula_reduced": "In2Si(AgSe3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.0589239327272726,
"spacegroup": 9
},
{
"id": "jvasp-90886",
"created_at": "2022-09-04T14:35:51.652806Z",
"updated_at": "2022-09-04T14:35:51.652836Z",
"structure_string": "In2 Si2 C2 N2\n1.0\n-3.258949 0.000000 0.000000\n0.000000 0.000000 -5.356109\n0.000000 -5.853925 0.000000\nIn Si C N\n2 2 2 2\ndirect\n0.500000 0.504242 0.396305 In\n0.000000 0.004242 0.603694 In\n0.500000 0.994372 0.082449 Si\n0.000000 0.494372 0.917550 Si\n0.500000 0.351969 0.044093 C\n0.000000 0.851970 0.955906 C\n0.500000 0.913317 0.377137 N\n0.000000 0.413317 0.622863 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Si",
"C",
"N"
],
"chemical_system": "C-In-N-Si",
"density": 5.49020239696101,
"density_atomic": 0.07829172505430503,
"volume": 102.1819355040524,
"volume_molar": 7.691924984183064,
"formula_full": "In2 Si2 C2 N2",
"formula_reduced": "InSiCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.424520455,
"spacegroup": 31
},
{
"id": "jvasp-24933",
"created_at": "2022-09-04T14:38:28.580364Z",
"updated_at": "2022-09-04T14:38:28.580410Z",
"structure_string": "In4 Te4 Cl4 O12\n1.0\n0.000000 7.181971 0.009680\n6.931881 0.000000 0.000000\n0.000000 -1.916795 -8.126761\nIn Te Cl O\n4 4 4 12\ndirect\n0.798126 0.750151 0.678388 In\n0.201875 0.249849 0.321612 In\n0.701875 0.250151 0.321612 In\n0.298126 0.749849 0.678388 In\n0.943464 0.731797 0.291668 Te\n0.556536 0.231797 0.708332 Te\n0.443465 0.768203 0.291667 Te\n0.056536 0.268203 0.708332 Te\n0.111472 0.793053 0.910249 Cl\n0.888528 0.206947 0.089751 Cl\n0.611472 0.706947 0.910249 Cl\n0.388529 0.293053 0.089751 Cl\n0.492395 0.283623 0.472236 O\n0.007605 0.783623 0.527763 O\n0.256611 0.444783 0.685227 O\n0.756611 0.055217 0.685227 O\n0.154855 0.554765 0.310159 O\n0.654855 0.945235 0.310159 O\n0.345146 0.054765 0.689841 O\n0.845146 0.445235 0.689841 O\n0.743390 0.555217 0.314772 O\n0.507605 0.716377 0.527764 O\n0.992395 0.216377 0.472236 O\n0.243390 0.944783 0.314772 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"In",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-In-O-Te",
"density": 5.351533565354257,
"density_atomic": 0.05933857220669862,
"volume": 404.45867009403173,
"volume_molar": 10.148779345452757,
"formula_full": "In4 Te4 Cl4 O12",
"formula_reduced": "InTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2119853840277777,
"spacegroup": 14
},
{
"id": "jvasp-29453",
"created_at": "2022-09-04T14:37:03.053809Z",
"updated_at": "2022-09-04T14:37:03.053825Z",
"structure_string": "In4 Te4 Cl4 O12\n1.0\n6.931919 0.000000 0.000000\n0.000000 6.990264 -1.648401\n0.000000 -0.012329 8.350499\nIn Te Cl O\n4 4 4 12\ndirect\n0.249848 0.201841 0.321583 In\n0.750152 0.798158 0.678417 In\n0.749848 0.298159 0.678417 In\n0.250152 0.701841 0.321583 In\n0.268188 0.056556 0.708285 Te\n0.768188 0.443443 0.291715 Te\n0.231812 0.556556 0.708285 Te\n0.731812 0.943443 0.291715 Te\n0.206866 0.888473 0.089765 Cl\n0.793134 0.111526 0.910235 Cl\n0.293134 0.388473 0.089765 Cl\n0.706866 0.611526 0.910235 Cl\n0.716401 0.507624 0.527799 O\n0.216401 0.992375 0.472201 O\n0.555226 0.743373 0.314814 O\n0.944775 0.243373 0.314814 O\n0.445237 0.845204 0.689864 O\n0.054763 0.345204 0.689864 O\n0.945238 0.654795 0.310136 O\n0.554763 0.154795 0.310136 O\n0.444775 0.256626 0.685186 O\n0.283599 0.492376 0.472201 O\n0.783599 0.007624 0.527799 O\n0.055226 0.756626 0.685186 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"In",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-In-O-Te",
"density": 5.351113342605538,
"density_atomic": 0.05933391271655188,
"volume": 404.49043221963217,
"volume_molar": 10.149576328749434,
"formula_full": "In4 Te4 Cl4 O12",
"formula_reduced": "InTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2119853840277777,
"spacegroup": 14
},
{
"id": "jvasp-107403",
"created_at": "2022-09-04T14:36:55.750614Z",
"updated_at": "2022-09-04T14:36:55.750632Z",
"structure_string": "K2 Ag1 As1 Br6\n1.0\n6.638407 -0.000000 3.832686\n2.212802 6.258751 3.832686\n-0.000000 -0.000000 7.665373\nK Ag As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.754460 0.245540 0.245540 Br\n0.245540 0.245540 0.754460 Br\n0.245540 0.754460 0.754461 Br\n0.245540 0.754460 0.245540 Br\n0.754460 0.245540 0.754460 Br\n0.754460 0.754460 0.245540 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ag",
"As",
"Br"
],
"chemical_system": "Ag-As-Br-K",
"density": 3.860439635630254,
"density_atomic": 0.031398952377333644,
"volume": 318.48196334151663,
"volume_molar": 19.17943212763773,
"formula_full": "K2 Ag1 As1 Br6",
"formula_reduced": "K2AgAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108853",
"created_at": "2022-09-04T14:38:20.321411Z",
"updated_at": "2022-09-04T14:38:20.321437Z",
"structure_string": "K2 Ag1 As1 Cl6\n1.0\n6.293391 -0.000000 3.633491\n2.097797 5.933466 3.633491\n-0.000000 -0.000000 7.266982\nK Ag As Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.756380 0.243620 0.243619 Cl\n0.243620 0.243620 0.756380 Cl\n0.243620 0.756381 0.756380 Cl\n0.243620 0.756381 0.243619 Cl\n0.756380 0.243620 0.756380 Cl\n0.756380 0.756381 0.243619 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"As",
"Cl"
],
"chemical_system": "Ag-As-Cl-K",
"density": 2.898739969449157,
"density_atomic": 0.03685129403208743,
"volume": 271.36089145995055,
"volume_molar": 16.34173485130904,
"formula_full": "K2 Ag1 As1 Cl6",
"formula_reduced": "K2AgAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107119",
"created_at": "2022-09-04T14:36:52.105199Z",
"updated_at": "2022-09-04T14:36:52.105220Z",
"structure_string": "K2 Ag1 As1 F6\n1.0\n5.408107 -0.000000 3.122372\n1.802702 5.098812 3.122372\n-0.000000 -0.000000 6.244744\nK Ag As F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 As\n0.232599 0.232599 0.767401 F\n0.232599 0.767401 0.767401 F\n0.767401 0.767401 0.232598 F\n0.232599 0.767401 0.232599 F\n0.767402 0.232599 0.767400 F\n0.767402 0.232599 0.232598 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"As",
"F"
],
"chemical_system": "Ag-As-F-K",
"density": 3.6159682126837067,
"density_atomic": 0.05807257529798838,
"volume": 172.19832164643813,
"volume_molar": 10.370025315906053,
"formula_full": "K2 Ag1 As1 F6",
"formula_reduced": "K2AgAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-7732",
"created_at": "2022-09-04T14:36:30.690712Z",
"updated_at": "2022-09-04T14:36:30.690743Z",
"structure_string": "K1 Ag2 As1 O4\n1.0\n4.990937 0.060499 -2.256316\n-2.928621 4.527362 -0.964490\n0.039136 -0.060499 5.477123\nK Ag As O\n1 2 1 4\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.750000 0.250000 Ag\n0.500001 0.250000 0.750000 Ag\n0.000000 0.000000 0.000000 As\n-0.000000 0.689444 0.027427 O\n0.662019 0.972573 0.972573 O\n0.337983 0.310555 0.310555 O\n0.000001 0.027427 0.689444 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-As-K-O",
"density": 5.254424678285892,
"density_atomic": 0.06428966933181454,
"volume": 124.43678872744024,
"volume_molar": 9.367198217987829,
"formula_full": "K1 Ag2 As1 O4",
"formula_reduced": "KAg2AsO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.38921228375,
"spacegroup": 121
}
]
}