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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3396",
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"results": [
{
"id": "jvasp-120396",
"created_at": "2022-09-04T14:38:53.907539Z",
"updated_at": "2022-09-04T14:38:53.907568Z",
"structure_string": "Sb1 Au1 F1\n1.0\n4.744867 -0.000000 0.000000\n-2.372434 4.109176 -0.000000\n-0.000000 -0.000000 2.991927\nSb Au F\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Sb\n0.000000 0.000000 0.000000 Au\n0.333334 0.666668 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"F"
],
"chemical_system": "Au-F-Sb",
"density": 9.613521294932147,
"density_atomic": 0.051427033731217035,
"volume": 58.335077532946485,
"volume_molar": 11.710068271630576,
"formula_full": "Sb1 Au1 F1",
"formula_reduced": "SbAuF",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-120395",
"created_at": "2022-09-04T14:38:53.663023Z",
"updated_at": "2022-09-04T14:38:53.663049Z",
"structure_string": "Sb1 Au1 F1\n1.0\n2.971368 0.000000 0.000000\n0.000000 2.971368 0.000000\n0.000000 0.000000 7.120559\nSb Au F\n1 1 1\ndirect\n0.000000 0.000000 0.713119 Sb\n0.000000 0.000000 0.332707 Au\n0.000000 0.000000 0.007931 F\n",
"nsites": 3,
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],
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"density": 8.920419921386575,
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"volume": 62.867613301474286,
"volume_molar": 12.619920551557549,
"formula_full": "Sb1 Au1 F1",
"formula_reduced": "SbAuF",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-120394",
"created_at": "2022-09-04T14:38:54.199660Z",
"updated_at": "2022-09-04T14:38:54.199686Z",
"structure_string": "Sb1 Au1 F2\n1.0\n3.427692 0.000000 -0.000000\n-0.000000 3.427692 -0.000000\n0.000000 0.000000 5.363895\nSb Au F\n1 1 2\ndirect\n0.500000 0.500000 0.564914 Sb\n0.000000 0.000000 0.901778 Au\n0.000000 0.000000 0.371336 F\n0.500000 0.500000 0.171971 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sb",
"Au",
"F"
],
"chemical_system": "Au-F-Sb",
"density": 9.39932825135109,
"density_atomic": 0.06347111706393893,
"volume": 63.02079095237158,
"volume_molar": 9.488001848042902,
"formula_full": "Sb1 Au1 F2",
"formula_reduced": "SbAuF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.16744605875,
"spacegroup": 99
},
{
"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-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-38027",
"created_at": "2022-09-04T14:38:13.383588Z",
"updated_at": "2022-09-04T14:38:13.383610Z",
"structure_string": "Sb2 Br2 O2\n1.0\n3.837941 -0.000000 -0.000000\n0.000000 3.837941 -0.000000\n0.000000 0.000000 8.284620\nSb Br O\n2 2 2\ndirect\n0.500000 0.000000 0.852192 Sb\n0.000000 0.500000 0.147808 Sb\n0.000000 0.500000 0.662973 Br\n0.500000 0.000000 0.337027 Br\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.923730890654484,
"density_atomic": 0.049167946370693674,
"volume": 122.03072210427467,
"volume_molar": 12.248103092606426,
"formula_full": "Sb2 Br2 O2",
"formula_reduced": "SbBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7889745683333335,
"spacegroup": 129
},
{
"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-58994",
"created_at": "2022-09-04T14:36:59.894506Z",
"updated_at": "2022-09-04T14:36:59.894534Z",
"structure_string": "Sb4 Cl12 F8\n1.0\n6.487872 -0.000000 2.713696\n3.243936 9.079718 1.356848\n-0.259720 0.000000 9.733344\nSb Cl F\n4 12 8\ndirect\n0.473458 0.820549 0.272067 Sb\n0.254476 0.272067 0.179451 Sb\n0.705994 0.727933 0.820549 Sb\n0.566073 0.179451 0.727933 Sb\n0.882428 0.144091 0.775669 Cl\n0.341903 0.775669 0.855909 Cl\n0.973481 0.224331 0.144091 Cl\n0.802188 0.855909 0.224332 Cl\n0.852778 0.696362 0.566254 Cl\n0.450860 0.433746 0.696362 Cl\n0.580969 0.566254 0.303638 Cl\n0.715541 0.101880 0.484802 Cl\n0.799656 0.484802 0.898120 Cl\n0.182578 0.515198 0.101880 Cl\n0.302225 0.898120 0.515198 Cl\n0.115393 0.303638 0.433746 Cl\n0.957894 0.752464 0.831527 F\n0.585120 0.795810 0.042279 F\n0.372600 0.042279 0.204191 F\n0.619070 0.957721 0.795809 F\n0.423209 0.204191 0.957721 F\n0.210580 0.831527 0.247536 F\n0.541884 0.247536 0.168474 F\n0.289642 0.168474 0.752464 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"F"
],
"chemical_system": "Cl-F-Sb",
"density": 3.0487565935308907,
"density_atomic": 0.0413956050276147,
"volume": 579.7716927676206,
"volume_molar": 14.547778093792022,
"formula_full": "Sb4 Cl12 F8",
"formula_reduced": "SbCl3F2",
"formula_anonymous": "AB2C3",
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"spacegroup": 82
},
{
"id": "jvasp-88690",
"created_at": "2022-09-04T14:35:52.811404Z",
"updated_at": "2022-09-04T14:35:52.811429Z",
"structure_string": "Sb4 Cl12 F8\n1.0\n6.528304 -0.000000 2.624140\n3.264153 9.094344 1.312071\n-0.127680 0.000000 9.750231\nSb Cl F\n4 12 8\ndirect\n0.212368 0.820961 0.726824 Sb\n0.939192 0.273176 0.820961 Sb\n0.760153 0.179039 0.273176 Sb\n0.033331 0.726824 0.179039 Sb\n0.675317 0.100043 0.515622 Cl\n0.503089 0.846122 0.769137 Cl\n0.118348 0.153878 0.230863 Cl\n0.272226 0.230863 0.846122 Cl\n0.775359 0.515622 0.899957 Cl\n0.190940 0.484378 0.100043 Cl\n0.346825 0.567216 0.695113 Cl\n0.914041 0.695113 0.432784 Cl\n0.349211 0.769136 0.153878 Cl\n0.609155 0.432783 0.304887 Cl\n0.041939 0.304887 0.567216 Cl\n0.290981 0.899957 0.484378 Cl\n0.673574 0.250258 0.836759 F\n0.886492 0.956880 0.203726 F\n0.760592 0.749741 0.163241 F\n0.510334 0.163241 0.250259 F\n0.923832 0.836759 0.749742 F\n0.090218 0.796274 0.956881 F\n0.843372 0.203726 0.043120 F\n0.047099 0.043119 0.796274 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"F"
],
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"density": 3.037477633120466,
"density_atomic": 0.04124246082736508,
"volume": 581.9245388984061,
"volume_molar": 14.601797853934572,
"formula_full": "Sb4 Cl12 F8",
"formula_reduced": "SbCl3F2",
"formula_anonymous": "AB2C3",
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"spacegroup": 79
},
{
"id": "jvasp-90035",
"created_at": "2022-09-04T14:36:19.355261Z",
"updated_at": "2022-09-04T14:36:19.355290Z",
"structure_string": "Sb1 Cl6 O2\n1.0\n6.567670 0.000000 -0.000000\n3.283835 -4.649442 3.935150\n3.283835 -4.649442 -3.935150\nSb Cl O\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sb\n-0.000001 0.693544 0.306456 Cl\n-0.000001 0.306456 0.693544 Cl\n0.441336 0.815115 0.815115 Cl\n0.071568 0.184884 0.184884 Cl\n0.928431 0.815115 0.815115 Cl\n0.558663 0.184884 0.184884 Cl\n0.500000 0.577122 0.422878 O\n0.500000 0.422878 0.577122 O\n",
"nsites": 9,
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"elements": [
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"O"
],
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"density": 2.5321658040380686,
"density_atomic": 0.03744889994226379,
"volume": 240.3274866251238,
"volume_molar": 16.08095503281681,
"formula_full": "Sb1 Cl6 O2",
"formula_reduced": "Sb(Cl3O)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8878019450000001,
"spacegroup": 71
},
{
"id": "jvasp-14204",
"created_at": "2022-09-04T14:36:20.572588Z",
"updated_at": "2022-09-04T14:36:20.572613Z",
"structure_string": "Sb4 Cl16 F4\n1.0\n7.148617 -0.000000 3.079247\n3.574308 9.077364 1.539625\n-0.016760 -0.000001 9.876456\nSb Cl F\n4 16 4\ndirect\n0.080523 0.177945 0.724221 Sb\n0.741532 0.275779 0.177945 Sb\n0.982690 0.822055 0.275779 Sb\n0.195256 0.724221 0.822055 Sb\n0.275916 0.872691 0.212369 Cl\n0.511716 0.212369 0.127308 Cl\n0.851394 0.787631 0.872692 Cl\n0.360976 0.127308 0.787631 Cl\n0.300593 0.685956 0.569474 Cl\n0.129933 0.569474 0.314044 Cl\n0.013451 0.430525 0.685956 Cl\n0.556024 0.314044 0.430526 Cl\n0.833436 0.911127 0.516426 Cl\n0.255437 0.483574 0.911127 Cl\n0.260989 0.088873 0.483574 Cl\n0.035274 0.269680 0.196535 Cl\n0.501489 0.730320 0.803465 Cl\n0.768192 0.196535 0.730321 Cl\n0.695047 0.803465 0.269680 Cl\n0.650140 0.516426 0.088873 Cl\n0.093044 0.794477 0.043045 F\n0.930565 0.205523 0.956955 F\n0.863912 0.043045 0.205523 F\n0.112480 0.956954 0.794477 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"F"
],
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"density": 2.9264122704591267,
"density_atomic": 0.03742062102968244,
"volume": 641.3576081744593,
"volume_molar": 16.09310747468134,
"formula_full": "Sb4 Cl16 F4",
"formula_reduced": "SbCl4F",
"formula_anonymous": "ABC4",
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"spacegroup": 82
},
{
"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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],
"chemical_system": "Cl-Sb",
"density": 2.675288754017807,
"density_atomic": 0.03232699364114944,
"volume": 371.20680423325996,
"volume_molar": 18.628830218020457,
"formula_full": "Sb2 Cl10",
"formula_reduced": "SbCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.2906577395833334,
"spacegroup": 194
}
]
}