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=-energy_above_hull&page=537",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=535",
"results": [
{
"id": "jvasp-62561",
"created_at": "2022-09-04T14:35:59.983378Z",
"updated_at": "2022-09-04T14:35:59.983401Z",
"structure_string": "Zr1 B1 Rh3\n1.0\n4.137469 -0.000000 -0.000000\n-0.000000 4.137469 -0.000000\n-0.000000 0.000000 4.137469\nZr B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Zr",
"density": 9.62994921961206,
"density_atomic": 0.07059366762166067,
"volume": 70.82788256302214,
"volume_molar": 8.530709570545378,
"formula_full": "Zr1 B1 Rh3",
"formula_reduced": "ZrBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.5739112166666667,
"spacegroup": 221
},
{
"id": "jvasp-92559",
"created_at": "2022-09-04T14:35:43.624546Z",
"updated_at": "2022-09-04T14:35:43.624567Z",
"structure_string": "Zr1 B1 Rh3\n1.0\n4.137540 0.000000 0.000000\n0.000000 4.137540 -0.000000\n0.000000 0.000000 4.137540\nZr B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Zr",
"density": 9.62945347963472,
"density_atomic": 0.07059003353155395,
"volume": 70.8315288979851,
"volume_molar": 8.531148745393478,
"formula_full": "Zr1 B1 Rh3",
"formula_reduced": "ZrBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.573893216666667,
"spacegroup": 221
},
{
"id": "jvasp-81658",
"created_at": "2022-09-04T14:37:07.795176Z",
"updated_at": "2022-09-04T14:37:07.795202Z",
"structure_string": "Y1 Hf1 Rh2\n1.0\n-8.873230 -0.000000 -5.122962\n-5.793075 -1.246140 -0.212024\n-4.301333 2.973145 -2.795798\nY Hf Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Hf\n0.737125 0.000001 0.000000 Rh\n0.262874 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hf",
"Rh"
],
"chemical_system": "Hf-Rh-Y",
"density": 9.922938176980013,
"density_atomic": 0.050512650419327,
"volume": 79.18808391154093,
"volume_molar": 11.922044695749772,
"formula_full": "Y1 Hf1 Rh2",
"formula_reduced": "YHfRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5736936125,
"spacegroup": 71
},
{
"id": "jvasp-19722",
"created_at": "2022-09-04T14:38:29.107362Z",
"updated_at": "2022-09-04T14:38:29.107387Z",
"structure_string": "Zr3 Al1\n1.0\n4.381302 0.000000 -0.000000\n0.000000 4.381302 0.000000\n0.000000 -0.000000 4.381302\nZr Al\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Al"
],
"chemical_system": "Al-Zr",
"density": 5.9361634113265245,
"density_atomic": 0.047560939167637636,
"volume": 84.10262854358771,
"volume_molar": 12.661946684386976,
"formula_full": "Zr3 Al1",
"formula_reduced": "Zr3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 3.573474075,
"spacegroup": 221
},
{
"id": "jvasp-60808",
"created_at": "2022-09-04T14:36:14.667833Z",
"updated_at": "2022-09-04T14:36:14.667859Z",
"structure_string": "Fe4 B8\n1.0\n3.755536 -0.000000 0.000000\n0.000000 4.800334 0.000000\n0.000000 0.000000 4.829004\nFe B\n4 8\ndirect\n0.624197 0.250000 0.481088 Fe\n0.124196 0.749999 0.018911 Fe\n0.375804 0.749999 0.518911 Fe\n0.875805 0.250000 0.981088 Fe\n0.893735 0.570005 0.659796 B\n0.393735 0.429994 0.840203 B\n0.106266 0.070005 0.340203 B\n0.606266 0.929994 0.159796 B\n0.106266 0.429994 0.340203 B\n0.606266 0.570005 0.159796 B\n0.893735 0.929994 0.659796 B\n0.393735 0.070005 0.840203 B\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"B"
],
"chemical_system": "B-Fe",
"density": 5.910508904889747,
"density_atomic": 0.1378415968119845,
"volume": 87.05644941394551,
"volume_molar": 4.368884936971662,
"formula_full": "Fe4 B8",
"formula_reduced": "FeB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.573006888888889,
"spacegroup": 62
},
{
"id": "jvasp-86320",
"created_at": "2022-09-04T14:36:08.163576Z",
"updated_at": "2022-09-04T14:36:08.163609Z",
"structure_string": "Rb2 N6\n1.0\n-3.153682 -3.153682 3.698376\n-3.153682 3.153682 -3.698376\n3.153682 -3.153682 -3.698376\nRb N\n2 6\ndirect\n0.000000 0.750001 0.750001 Rb\n0.000000 0.250000 0.250000 Rb\n0.500000 -0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.233750 0.866875 0.366875 N\n0.766250 0.133125 0.633125 N\n0.500000 0.633126 0.866875 N\n0.500000 0.366875 0.133125 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"N"
],
"chemical_system": "N-Rb",
"density": 2.8776714521246776,
"density_atomic": 0.05437297987249676,
"volume": 147.1319029922545,
"volume_molar": 11.075612876325273,
"formula_full": "Rb2 N6",
"formula_reduced": "RbN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5729974375000007,
"spacegroup": 140
},
{
"id": "jvasp-86995",
"created_at": "2022-09-04T14:36:18.094567Z",
"updated_at": "2022-09-04T14:36:18.094593Z",
"structure_string": "Rb2 N6\n1.0\n-3.153323 -3.153323 3.698080\n-3.153323 3.153323 -3.698080\n3.153323 -3.153323 -3.698080\nRb N\n2 6\ndirect\n0.000000 0.750000 0.750000 Rb\n0.000000 0.250000 0.250000 Rb\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.233722 0.866861 0.366861 N\n0.766277 0.133139 0.633138 N\n0.500000 0.633139 0.866861 N\n0.500000 0.366861 0.133139 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"N"
],
"chemical_system": "N-Rb",
"density": 2.8785571102734875,
"density_atomic": 0.054389714191719896,
"volume": 147.08663428163212,
"volume_molar": 11.072205194482876,
"formula_full": "Rb2 N6",
"formula_reduced": "RbN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5729974375000007,
"spacegroup": 140
},
{
"id": "jvasp-86321",
"created_at": "2022-09-04T14:36:12.086982Z",
"updated_at": "2022-09-04T14:36:12.087010Z",
"structure_string": "K2 N6\n1.0\n-3.052367 -3.052367 3.475211\n-3.052367 3.052367 -3.475211\n3.052367 -3.052367 -3.475211\nK N\n2 6\ndirect\n0.000000 0.750000 0.750000 K\n0.000000 0.250000 0.250000 K\n0.500001 -0.000000 0.500001 N\n0.500001 0.500001 0.000000 N\n0.225148 0.862574 0.362574 N\n0.774853 0.137426 0.637427 N\n0.500001 0.637426 0.862574 N\n0.500001 0.362574 0.137426 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"N"
],
"chemical_system": "K-N",
"density": 2.080098018273108,
"density_atomic": 0.061769675264633644,
"volume": 129.51338930836855,
"volume_molar": 9.74934825899593,
"formula_full": "K2 N6",
"formula_reduced": "KN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5728844375000004,
"spacegroup": 140
},
{
"id": "jvasp-87042",
"created_at": "2022-09-04T14:35:53.397961Z",
"updated_at": "2022-09-04T14:35:53.397986Z",
"structure_string": "K2 N6\n1.0\n-3.052367 -3.052367 3.475211\n-3.052367 3.052367 -3.475211\n3.052367 -3.052367 -3.475211\nK N\n2 6\ndirect\n0.000000 0.750000 0.750000 K\n0.000000 0.250000 0.250000 K\n0.500001 -0.000000 0.500001 N\n0.500001 0.500001 0.000000 N\n0.225148 0.862574 0.362574 N\n0.774853 0.137426 0.637427 N\n0.500001 0.637426 0.862574 N\n0.500001 0.362574 0.137426 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"N"
],
"chemical_system": "K-N",
"density": 2.080098018273108,
"density_atomic": 0.061769675264633644,
"volume": 129.51338930836855,
"volume_molar": 9.74934825899593,
"formula_full": "K2 N6",
"formula_reduced": "KN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5728844375000004,
"spacegroup": 140
},
{
"id": "jvasp-13887",
"created_at": "2022-09-04T14:36:17.045101Z",
"updated_at": "2022-09-04T14:36:17.045126Z",
"structure_string": "Th6 Si4\n1.0\n9.495840 0.000000 -0.000000\n0.000000 9.495840 -0.000000\n0.000000 0.000000 3.398004\nTh Si\n6 4\ndirect\n0.793194 0.706806 0.499999 Th\n0.293194 0.793194 0.499999 Th\n0.206806 0.293194 0.499999 Th\n0.706806 0.206806 0.499999 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Th\n0.084966 0.584966 0.499999 Si\n0.584966 0.915034 0.499999 Si\n0.415034 0.084966 0.499999 Si\n0.915034 0.415034 0.499999 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Th",
"Si"
],
"chemical_system": "Si-Th",
"density": 8.154004314864261,
"density_atomic": 0.032636932817638,
"volume": 306.40134156833795,
"volume_molar": 18.4519200797737,
"formula_full": "Th6 Si4",
"formula_reduced": "Th3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.5728148,
"spacegroup": 127
},
{
"id": "jvasp-122497",
"created_at": "2022-09-04T14:38:54.381742Z",
"updated_at": "2022-09-04T14:38:54.381772Z",
"structure_string": "Cr4 Ga4 N8\n1.0\n5.544077 -0.000000 0.000000\n0.000000 6.530795 0.000000\n0.000000 -0.000000 5.147497\nCr Ga N\n4 4 8\ndirect\n0.577920 0.875188 0.998877 Cr\n0.422081 0.124812 0.498877 Cr\n0.922081 0.375188 0.498877 Cr\n0.077919 0.624813 0.998877 Cr\n0.582278 0.374842 0.003833 Ga\n0.417723 0.625159 0.503833 Ga\n0.917723 0.874842 0.503833 Ga\n0.082277 0.125159 0.003833 Ga\n0.583993 0.376361 0.388497 N\n0.416007 0.623640 0.888497 N\n0.916008 0.876361 0.888497 N\n0.083993 0.123640 0.388497 N\n0.583441 0.873242 0.378795 N\n0.416559 0.126759 0.878795 N\n0.916560 0.373242 0.878795 N\n0.083441 0.626759 0.378795 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"N"
],
"chemical_system": "Cr-Ga-N",
"density": 5.3362203831989605,
"density_atomic": 0.0858476824606832,
"volume": 186.3766096111882,
"volume_molar": 7.0149136090634014,
"formula_full": "Cr4 Ga4 N8",
"formula_reduced": "CrGaN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5724415562500003,
"spacegroup": 33
},
{
"id": "jvasp-33330",
"created_at": "2022-09-04T14:37:51.299674Z",
"updated_at": "2022-09-04T14:37:51.299714Z",
"structure_string": "Si1 H12 C2 N6 F6\n1.0\n5.768193 3.664037 -2.560732\n-5.768193 3.664037 2.560732\n-0.073272 0.000000 5.885570\nSi H C N F\n1 12 2 6 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.547422 0.010915 0.746421 H\n0.989086 0.452579 0.746421 H\n0.452579 0.989086 0.253579 H\n0.010915 0.547422 0.253579 H\n0.305625 0.012619 0.739956 H\n0.987381 0.694376 0.739956 H\n0.694376 0.987381 0.260044 H\n0.012619 0.305625 0.260044 H\n0.307479 0.452579 0.741433 H\n0.547422 0.692522 0.741433 H\n0.692522 0.547422 0.258567 H\n0.452579 0.307479 0.258567 H\n0.722204 0.277797 0.272660 C\n0.277797 0.722204 0.727340 C\n0.382655 0.617346 0.719804 N\n0.617346 0.382654 0.280197 N\n0.383176 0.933027 0.727986 N\n0.066974 0.616825 0.727986 N\n0.616825 0.066973 0.272014 N\n0.933028 0.383176 0.272014 N\n0.179794 0.152795 0.806900 F\n0.847206 0.820207 0.806900 F\n0.820207 0.847206 0.193100 F\n0.152795 0.179794 0.193100 F\n0.851254 0.148747 0.832559 F\n0.148748 0.851253 0.167441 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Si",
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N-Si",
"density": 1.7600494358031098,
"density_atomic": 0.10913210248298731,
"volume": 247.40657776852646,
"volume_molar": 5.518211986192418,
"formula_full": "Si1 H12 C2 N6 F6",
"formula_reduced": "SiH12C2(NF)6",
"formula_anonymous": "AB2C6D6E12",
"energy_above_hull": 3.572193696111111,
"spacegroup": 12
}
]
}