HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1567",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1565",
"results": [
{
"id": "jvasp-81499",
"created_at": "2022-09-04T14:37:12.106279Z",
"updated_at": "2022-09-04T14:37:12.106303Z",
"structure_string": "Ag1 Br1 O2\n1.0\n-0.177308 3.809130 -2.189502\n-5.155430 -0.033982 -0.020765\n-0.021054 0.008074 4.426689\nAg Br O\n1 1 2\ndirect\n0.553642 0.867275 0.656719 Ag\n0.886338 0.999712 0.320359 Br\n0.298741 0.503343 0.019071 O\n0.976598 0.470819 0.864159 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 4.192235164603874,
"density_atomic": 0.04595006669486121,
"volume": 87.05101619465847,
"volume_molar": 13.105836820631822,
"formula_full": "Ag1 Br1 O2",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.09643959125,
"spacegroup": 8
},
{
"id": "jvasp-12925",
"created_at": "2022-09-04T14:37:12.118024Z",
"updated_at": "2022-09-04T14:37:12.118050Z",
"structure_string": "Rb4 Sn2 Te10\n1.0\n7.823149 -0.000000 -3.826935\n-1.872063 7.595857 -3.826935\n0.027198 0.034715 9.965240\nRb Sn Te\n4 2 10\ndirect\n0.246625 0.246625 0.493251 Rb\n0.746625 0.746625 0.493252 Rb\n0.996642 0.996641 0.993283 Rb\n0.496642 0.496641 0.993283 Rb\n0.746662 0.246662 0.493325 Sn\n0.246663 0.746662 0.493325 Sn\n0.454081 0.954080 0.266393 Te\n0.312313 0.454080 0.266393 Te\n0.954081 0.812313 0.266394 Te\n0.812313 0.312312 0.266393 Te\n0.180908 0.680907 0.720141 Te\n0.039233 0.180907 0.720140 Te\n0.680908 0.539233 0.720141 Te\n0.539233 0.039233 0.720140 Te\n0.496639 0.996639 0.993279 Te\n0.996639 0.496638 0.993278 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Te"
],
"chemical_system": "Rb-Sn-Te",
"density": 5.184337178948586,
"density_atomic": 0.02692477234816308,
"volume": 594.2482927285209,
"volume_molar": 22.366542907505234,
"formula_full": "Rb4 Sn2 Te10",
"formula_reduced": "Rb2SnTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.3799638166666667,
"spacegroup": 140
},
{
"id": "jvasp-81501",
"created_at": "2022-09-04T14:37:12.139301Z",
"updated_at": "2022-09-04T14:37:12.139320Z",
"structure_string": "Fe1 Ag1 S2\n1.0\n-1.678855 2.907862 0.000000\n-3.357709 -0.000000 -0.000000\n-1.678855 0.969287 6.819247\nFe Ag S\n1 1 2\ndirect\n0.000368 0.000368 -0.001106 Fe\n0.843566 0.843569 0.469300 Ag\n0.724701 0.724703 0.825899 S\n0.272365 0.272365 0.182907 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"S"
],
"chemical_system": "Ag-Fe-S",
"density": 5.682401297339575,
"density_atomic": 0.06007679049313091,
"volume": 66.58145295656821,
"volume_molar": 10.024072042744299,
"formula_full": "Fe1 Ag1 S2",
"formula_reduced": "FeAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6647531899999997,
"spacegroup": 160
},
{
"id": "jvasp-104669",
"created_at": "2022-09-04T14:37:12.083684Z",
"updated_at": "2022-09-04T14:37:12.083708Z",
"structure_string": "Y1 Zr1 S2\n1.0\n3.683812 0.025830 5.420123\n1.686602 3.275135 5.420123\n0.042024 0.025830 6.553354\nY Zr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.500001 0.500000 Zr\n0.246501 0.246502 0.246501 S\n0.753497 0.753500 0.753498 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zr",
"S"
],
"chemical_system": "S-Y-Zr",
"density": 5.216029575000005,
"density_atomic": 0.05143975044581122,
"volume": 77.76087491353145,
"volume_molar": 11.70717335875098,
"formula_full": "Y1 Zr1 S2",
"formula_reduced": "YZrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2862799875000004,
"spacegroup": 166
},
{
"id": "jvasp-79080",
"created_at": "2022-09-04T14:37:12.084807Z",
"updated_at": "2022-09-04T14:37:12.084837Z",
"structure_string": "Cd1 In1 Rh2\n1.0\n0.000000 3.225000 3.225000\n3.225000 0.000000 3.225000\n3.225000 3.225000 0.000000\nCd In Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"In",
"Rh"
],
"chemical_system": "Cd-In-Rh",
"density": 10.719091026606483,
"density_atomic": 0.05962670885256319,
"volume": 67.08403125,
"volume_molar": 10.099736973393469,
"formula_full": "Cd1 In1 Rh2",
"formula_reduced": "CdInRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7784589300000002,
"spacegroup": 225
},
{
"id": "jvasp-80000",
"created_at": "2022-09-04T14:37:12.092412Z",
"updated_at": "2022-09-04T14:37:12.092433Z",
"structure_string": "Li2 Hg1 Pd1\n1.0\n0.000005 3.115992 3.115992\n3.115992 0.000006 3.115992\n3.115993 3.115993 0.000005\nLi Hg Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 0.500000 Li\n0.250001 0.250000 0.250001 Hg\n0.750000 0.749998 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Pd"
],
"chemical_system": "Hg-Li-Pd",
"density": 8.80622881138452,
"density_atomic": 0.06610616591906548,
"volume": 60.508727807588244,
"volume_molar": 9.109801901645566,
"formula_full": "Li2 Hg1 Pd1",
"formula_reduced": "Li2HgPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3936857125,
"spacegroup": 225
},
{
"id": "jvasp-79377",
"created_at": "2022-09-04T14:37:12.098769Z",
"updated_at": "2022-09-04T14:37:12.098785Z",
"structure_string": "Tm2 Zn1 Rh1\n1.0\n0.000000 3.426997 3.426997\n3.426997 0.000000 3.426997\n3.426997 3.426997 -0.000000\nTm Zn Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.750001 0.750001 0.750001 Zn\n0.249999 0.249999 0.249999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Zn",
"Rh"
],
"chemical_system": "Rh-Tm-Zn",
"density": 10.44204152253479,
"density_atomic": 0.04969226847259121,
"volume": 80.49541956826306,
"volume_molar": 12.118868679383464,
"formula_full": "Tm2 Zn1 Rh1",
"formula_reduced": "Tm2ZnRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8304979750000001,
"spacegroup": 225
},
{
"id": "jvasp-8033",
"created_at": "2022-09-04T14:37:12.148481Z",
"updated_at": "2022-09-04T14:37:12.148504Z",
"structure_string": "Na1 Nb1 O3\n1.0\n4.006173 0.000000 -0.000000\n0.000000 4.006173 0.000000\n0.000000 -0.000000 4.006173\nNa Nb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.232763258961927,
"density_atomic": 0.07776441430108699,
"volume": 64.29676150637593,
"volume_molar": 7.744082964070909,
"formula_full": "Na1 Nb1 O3",
"formula_reduced": "NaNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0431697799999995,
"spacegroup": 221
},
{
"id": "jvasp-10657",
"created_at": "2022-09-04T14:37:12.157570Z",
"updated_at": "2022-09-04T14:37:12.157580Z",
"structure_string": "Mg2 V4 O8\n1.0\n6.006983 -0.050465 -0.035684\n2.959788 5.126503 0.000000\n2.959788 1.708834 4.833313\nMg V O\n2 4 8\ndirect\n0.992092 0.002636 0.002636 Mg\n0.123444 0.625518 0.625518 Mg\n0.250977 0.249674 0.249674 V\n0.627102 0.116997 0.627950 V\n0.627102 0.627950 0.116997 V\n0.627103 0.627949 0.627950 V\n0.389149 0.377346 0.377346 O\n0.389149 0.377345 0.856159 O\n0.389149 0.856158 0.377346 O\n0.857240 0.380920 0.380921 O\n0.396596 0.867800 0.867800 O\n0.860300 0.404554 0.867573 O\n0.860299 0.867573 0.404554 O\n0.860300 0.867572 0.867573 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 4.212946131790433,
"density_atomic": 0.09338071988675804,
"volume": 149.92388168540222,
"volume_molar": 6.449019419964843,
"formula_full": "Mg2 V4 O8",
"formula_reduced": "MgV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4850659214285717,
"spacegroup": 160
},
{
"id": "jvasp-47960",
"created_at": "2022-09-04T14:37:12.167943Z",
"updated_at": "2022-09-04T14:37:12.167959Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.503882 -0.026666 0.004969\n0.136611 5.607530 -0.031678\n0.182629 0.054101 10.191078\nMn O F\n8 8 8\ndirect\n0.997106 0.843403 0.388752 Mn\n0.003421 0.146313 0.630244 Mn\n0.036558 0.829148 0.889417 Mn\n0.018828 0.154932 0.138811 Mn\n0.513373 0.653679 0.117609 Mn\n0.502417 0.650069 0.615281 Mn\n0.534903 0.383591 0.861854 Mn\n0.502550 0.344551 0.360192 Mn\n0.712784 0.379722 0.201348 O\n0.708758 0.607800 0.449062 O\n0.741871 0.389907 0.702405 O\n0.738144 0.620610 0.957956 O\n0.292553 0.616078 0.785010 O\n0.215944 0.114613 0.301282 O\n0.230665 0.886377 0.048874 O\n0.208178 0.875789 0.547221 O\n0.263316 0.117615 0.797764 F\n0.246704 0.374935 0.524248 F\n0.233966 0.616154 0.269902 F\n0.266367 0.380508 0.019570 F\n0.780121 0.889306 0.729539 F\n0.776607 0.134630 0.958881 F\n0.749651 0.884264 0.228113 F\n0.725211 0.105993 0.476669 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.641151946667573,
"density_atomic": 0.09323202331583375,
"volume": 257.42227988228206,
"volume_molar": 6.459305017546745,
"formula_full": "Mn8 O8 F8",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2289403412931037,
"spacegroup": 1
},
{
"id": "jvasp-79486",
"created_at": "2022-09-04T14:37:12.177352Z",
"updated_at": "2022-09-04T14:37:12.177375Z",
"structure_string": "Mg1 Sc2 Ru1\n1.0\n3.244997 0.000000 -0.000000\n0.000000 3.244997 -0.000000\n-0.000000 -0.000000 7.614219\nMg Sc Ru\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500001 0.500001 0.800088 Sc\n0.500001 0.500001 0.199912 Sc\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Ru"
],
"chemical_system": "Mg-Ru-Sc",
"density": 4.458744486231894,
"density_atomic": 0.04988914122908245,
"volume": 80.17776817669962,
"volume_molar": 12.071045144568341,
"formula_full": "Mg1 Sc2 Ru1",
"formula_reduced": "MgSc2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1049950125,
"spacegroup": 123
},
{
"id": "jvasp-81989",
"created_at": "2022-09-04T14:37:12.145409Z",
"updated_at": "2022-09-04T14:37:12.145426Z",
"structure_string": "Li2 Cu1 Pd1\n1.0\n-8.366367 0.000000 -4.830325\n-8.283373 -0.026299 4.686575\n-5.537516 7.740158 -0.069389\nLi Cu Pd\n2 1 1\ndirect\n0.747008 -0.000000 -0.000000 Li\n0.252993 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cu",
"Pd"
],
"chemical_system": "Cu-Li-Pd",
"density": 0.49731410579591917,
"density_atomic": 0.006516025299315803,
"volume": 613.8711586064604,
"volume_molar": 92.42046314080976,
"formula_full": "Li2 Cu1 Pd1",
"formula_reduced": "Li2CuPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9765165375,
"spacegroup": 71
}
]
}