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=914",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=912",
"results": [
{
"id": "jvasp-17832",
"created_at": "2022-09-04T14:38:14.427060Z",
"updated_at": "2022-09-04T14:38:14.427085Z",
"structure_string": "U1 Co2 Ge2\n1.0\n3.740730 0.000000 -1.411277\n-0.532437 3.702644 -1.411277\n0.010625 0.012261 5.691389\nU Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.499999 Co\n0.749999 0.250000 0.499999 Co\n0.627163 0.627164 0.254328 Ge\n0.372834 0.372835 0.745671 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-U",
"density": 10.539973142822237,
"density_atomic": 0.06332435167358615,
"volume": 78.95856598379672,
"volume_molar": 9.509991971243434,
"formula_full": "U1 Co2 Ge2",
"formula_reduced": "U(CoGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.95213994,
"spacegroup": 139
},
{
"id": "jvasp-15519",
"created_at": "2022-09-04T14:36:52.184243Z",
"updated_at": "2022-09-04T14:36:52.184272Z",
"structure_string": "Pr1 Co2 Si2\n1.0\n3.728748 -0.000000 -1.381336\n-0.511724 3.693468 -1.381336\n0.013813 0.015859 5.760606\nPr Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250001 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.635657 0.635657 0.271313 Si\n0.364343 0.364344 0.728687 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Si"
],
"chemical_system": "Co-Pr-Si",
"density": 6.5784706720469,
"density_atomic": 0.06289426940378047,
"volume": 79.49849878849945,
"volume_molar": 9.575022998260662,
"formula_full": "Pr1 Co2 Si2",
"formula_reduced": "Pr(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.95208977,
"spacegroup": 139
},
{
"id": "jvasp-119494",
"created_at": "2022-09-04T14:38:51.524012Z",
"updated_at": "2022-09-04T14:38:51.524034Z",
"structure_string": "Li1 Cu1 Ru2 Rh2 O8\n1.0\n5.329562 0.010721 -2.959745\n-1.498484 4.753161 -3.510902\n-0.032176 -0.010721 6.096169\nLi Cu Ru Rh O\n1 1 2 2 8\ndirect\n0.379459 0.379458 0.000000 Li\n0.132460 0.632460 0.500000 Cu\n0.749838 0.026299 0.276461 Ru\n0.749838 0.473377 0.723540 Ru\n0.752175 0.999191 0.752985 Rh\n0.246207 0.999191 0.247016 Rh\n0.988218 0.767327 0.220891 O\n0.546437 0.767328 0.779111 O\n0.977764 0.735785 0.758023 O\n0.977764 0.219742 0.241979 O\n0.476760 0.230258 0.246502 O\n0.983757 0.230258 0.753499 O\n0.519660 0.253983 0.734323 O\n0.519661 0.785337 0.265678 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Li",
"Cu",
"Ru",
"Rh",
"O"
],
"chemical_system": "Cu-Li-O-Rh-Ru",
"density": 6.546306854538033,
"density_atomic": 0.09101067337627025,
"volume": 153.82811137018027,
"volume_molar": 6.616960996544158,
"formula_full": "Li1 Cu1 Ru2 Rh2 O8",
"formula_reduced": "LiCuRu2(RhO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.952075389285714,
"spacegroup": 44
},
{
"id": "jvasp-75544",
"created_at": "2022-09-04T14:35:44.665954Z",
"updated_at": "2022-09-04T14:35:44.665981Z",
"structure_string": "V2 As1 Au1\n1.0\n0.000000 3.165466 3.165466\n3.165466 -0.000000 3.165466\n3.165466 3.165466 0.000000\nV As Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 V\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"As",
"Au"
],
"chemical_system": "As-Au-V",
"density": 9.783898557602088,
"density_atomic": 0.06305463792024285,
"volume": 63.43704653509482,
"volume_molar": 9.550670590825282,
"formula_full": "V2 As1 Au1",
"formula_reduced": "V2AsAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.95200193,
"spacegroup": 216
},
{
"id": "jvasp-63406",
"created_at": "2022-09-04T14:35:47.924168Z",
"updated_at": "2022-09-04T14:35:47.924199Z",
"structure_string": "Li12 B4 N8\n1.0\n-3.284360 3.284360 5.141010\n3.284360 -3.284360 5.141010\n3.284360 3.284360 -5.141010\nLi B N\n12 4 8\ndirect\n0.476104 0.523896 0.500000 Li\n0.273896 0.726104 0.000000 Li\n0.726104 0.273896 0.000000 Li\n0.023896 0.523896 0.047793 Li\n0.124638 0.124638 0.000000 Li\n0.874638 0.374638 0.500000 Li\n0.625362 0.125362 0.500000 Li\n0.875362 0.875362 0.000000 Li\n0.273896 0.273896 0.547793 Li\n0.726104 0.726104 0.452207 Li\n0.023896 0.976104 0.500000 Li\n0.476104 0.976104 0.952207 Li\n0.353739 0.353739 0.000000 B\n0.646261 0.646261 0.000000 B\n0.396261 0.896261 0.500000 B\n0.103739 0.603739 0.500000 B\n0.553748 0.349348 0.204400 N\n0.144948 0.349348 0.795600 N\n0.099348 0.394948 0.295600 N\n0.099348 0.803748 0.704400 N\n0.605052 0.900652 0.704400 N\n0.196252 0.900652 0.295600 N\n0.650652 0.855052 0.204400 N\n0.650652 0.446252 0.795600 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"B",
"N"
],
"chemical_system": "B-Li-N",
"density": 1.786037849147497,
"density_atomic": 0.10819353065485675,
"volume": 221.82472329663875,
"volume_molar": 5.566082115585042,
"formula_full": "Li12 B4 N8",
"formula_reduced": "Li3BN2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.9518881805555552,
"spacegroup": 141
},
{
"id": "jvasp-45173",
"created_at": "2022-09-04T14:38:35.308691Z",
"updated_at": "2022-09-04T14:38:35.308717Z",
"structure_string": "Li4 Mn3 V2 Ni3 O16\n1.0\n5.723643 -0.000170 0.000611\n-2.861567 5.009440 0.025663\n-0.000935 -0.175359 9.316673\nLi Mn V Ni O\n4 3 2 3 16\ndirect\n0.335942 0.671901 0.100419 Li\n0.002021 0.004084 0.008792 Li\n0.997678 0.995382 0.501802 Li\n0.667933 0.335885 0.601489 Li\n0.165788 0.824841 0.783628 Mn\n0.659027 0.824838 0.783624 Mn\n0.824642 0.649298 0.280632 Mn\n0.329570 0.659166 0.500520 V\n0.654949 0.309934 0.010232 V\n0.829833 0.170059 0.287388 Ni\n0.169589 0.339202 0.785874 Ni\n0.340208 0.170060 0.287391 Ni\n0.835931 0.671897 0.898820 O\n0.340535 0.165660 0.907260 O\n0.670721 0.341470 0.393399 O\n0.965240 0.494972 0.154448 O\n0.529720 0.494981 0.154452 O\n0.170755 0.341529 0.417810 O\n0.491203 0.533148 0.659404 O\n0.482348 0.964713 0.665379 O\n0.654368 0.815962 0.407343 O\n0.994889 0.989785 0.197751 O\n0.995022 0.990055 0.691257 O\n0.340320 0.680675 0.891757 O\n0.522860 0.045735 0.147275 O\n0.161573 0.815958 0.407342 O\n0.041926 0.533147 0.659406 O\n0.825099 0.165658 0.907257 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O-V",
"density": 4.5159186207252695,
"density_atomic": 0.10480945239303312,
"volume": 267.1514769011541,
"volume_molar": 5.745799279073711,
"formula_full": "Li4 Mn3 V2 Ni3 O16",
"formula_reduced": "Li4Mn3V2Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.951830475862069,
"spacegroup": 8
},
{
"id": "jvasp-107324",
"created_at": "2022-09-04T14:36:59.035903Z",
"updated_at": "2022-09-04T14:36:59.035930Z",
"structure_string": "La1 Ce1 Mn2 O6\n1.0\n4.794421 -0.001627 2.635776\n1.558045 4.534200 2.635776\n-0.002281 -0.001627 5.471177\nLa Ce Mn O\n1 1 2 6\ndirect\n0.500001 0.499999 0.500001 La\n0.000000 0.000000 0.000000 Ce\n0.750153 0.750151 0.750153 Mn\n0.249849 0.249848 0.249849 Mn\n0.065996 0.934005 0.500001 O\n0.500000 0.065994 0.934006 O\n0.934006 0.499999 0.065996 O\n0.000001 0.422861 0.577139 O\n0.577138 -0.000001 0.422863 O\n0.422862 0.577138 0.000001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ce",
"Mn",
"O"
],
"chemical_system": "Ce-La-Mn-O",
"density": 6.766707696008713,
"density_atomic": 0.08403912938247801,
"volume": 118.99218939415833,
"volume_molar": 7.165877138722006,
"formula_full": "La1 Ce1 Mn2 O6",
"formula_reduced": "LaCeMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.951818598275862,
"spacegroup": 155
},
{
"id": "jvasp-10301",
"created_at": "2022-09-04T14:37:07.490435Z",
"updated_at": "2022-09-04T14:37:07.490460Z",
"structure_string": "Li6 B2 N4\n1.0\n4.630598 0.000000 0.000000\n0.000000 4.630598 0.000000\n0.000000 0.000000 5.192355\nLi B N\n6 2 4\ndirect\n0.500000 0.000000 0.250000 Li\n0.500000 0.000000 0.750001 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.250000 Li\n0.000000 0.500000 0.750001 Li\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.794872 0.794872 0.000000 N\n0.705128 0.294872 0.500000 N\n0.294872 0.705128 0.500000 N\n0.205128 0.205128 0.000000 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"N"
],
"chemical_system": "B-Li-N",
"density": 1.77922992233188,
"density_atomic": 0.10778112414344208,
"volume": 111.33674931827233,
"volume_molar": 5.587379801295585,
"formula_full": "Li6 B2 N4",
"formula_reduced": "Li3BN2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.951699847222222,
"spacegroup": 136
},
{
"id": "jvasp-35109",
"created_at": "2022-09-04T14:37:42.611465Z",
"updated_at": "2022-09-04T14:37:42.611490Z",
"structure_string": "Al1 Ga3 N4\n1.0\n4.506310 0.000000 0.000000\n0.000000 4.506310 0.000000\n-0.000000 -0.000000 4.506310\nAl Ga N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.755799 0.755799 0.244201 N\n0.755799 0.244201 0.755799 N\n0.244201 0.755799 0.755799 N\n0.244201 0.244201 0.244201 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Ga",
"N"
],
"chemical_system": "Al-Ga-N",
"density": 5.301910991759356,
"density_atomic": 0.08742321893515934,
"volume": 91.50887026858959,
"volume_molar": 6.888491219325319,
"formula_full": "Al1 Ga3 N4",
"formula_reduced": "AlGa3N4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.9516665968749995,
"spacegroup": 215
},
{
"id": "jvasp-15960",
"created_at": "2022-09-04T14:38:00.154059Z",
"updated_at": "2022-09-04T14:38:00.154072Z",
"structure_string": "Hf2 V2 Ge2\n1.0\n3.602065 -0.000000 -0.905273\n-0.227513 3.594873 -0.905273\n0.012458 0.013272 7.668488\nHf V Ge\n2 2 2\ndirect\n0.676974 0.676974 0.353950 Hf\n0.323026 0.323025 0.646050 Hf\n0.000000 0.500000 0.000000 V\n0.499999 -0.000000 0.000000 V\n0.128749 0.128749 0.257499 Ge\n0.871251 0.871250 0.742502 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"V",
"Ge"
],
"chemical_system": "Ge-Hf-V",
"density": 10.094053835497354,
"density_atomic": 0.06037095163634098,
"volume": 99.3855461504475,
"volume_molar": 9.97522914045785,
"formula_full": "Hf2 V2 Ge2",
"formula_reduced": "HfVGe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9516543833333326,
"spacegroup": 139
},
{
"id": "jvasp-72054",
"created_at": "2022-09-04T14:36:12.707147Z",
"updated_at": "2022-09-04T14:36:12.707166Z",
"structure_string": "Be1 Ni2 W1\n1.0\n-2.004020 2.004020 2.839196\n2.004020 -2.004020 2.839196\n2.004020 2.004020 -2.839196\nBe Ni W\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ni\n0.250000 0.750000 0.500000 Ni\n0.500001 0.500001 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"W"
],
"chemical_system": "Be-Ni-W",
"density": 11.294993762442925,
"density_atomic": 0.0877001876498674,
"volume": 45.609936616892156,
"volume_molar": 6.866736459040069,
"formula_full": "Be1 Ni2 W1",
"formula_reduced": "BeNi2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.951465225,
"spacegroup": 216
},
{
"id": "jvasp-21259",
"created_at": "2022-09-04T14:38:05.666924Z",
"updated_at": "2022-09-04T14:38:05.666943Z",
"structure_string": "Li12 B4 N8\n1.0\n0.000000 5.115285 0.005787\n7.050604 0.000000 0.000000\n0.000000 -2.615302 -6.183158\nLi B N\n12 4 8\ndirect\n0.249893 0.515503 0.499084 Li\n0.257656 0.207733 0.686586 Li\n0.257656 0.292267 0.186585 Li\n0.742345 0.792267 0.313414 Li\n0.251901 0.512027 0.875160 Li\n0.748101 0.012027 0.624840 Li\n0.742345 0.707732 0.813415 Li\n0.251901 0.987973 0.375160 Li\n0.249894 0.984496 0.999084 Li\n0.750108 0.484496 0.500916 Li\n0.750108 0.015503 0.000915 Li\n0.748100 0.487973 0.124840 Li\n0.785256 0.319615 0.823855 B\n0.214746 0.819615 0.676145 B\n0.214746 0.680385 0.176145 B\n0.785255 0.180385 0.323855 B\n0.006656 0.203033 0.865388 N\n0.434836 0.561498 0.218193 N\n0.565165 0.061498 0.281806 N\n0.565165 0.438502 0.781807 N\n0.434836 0.938502 0.718193 N\n0.993345 0.796966 0.134612 N\n0.006656 0.296966 0.365387 N\n0.993346 0.703033 0.634612 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"B",
"N"
],
"chemical_system": "B-Li-N",
"density": 1.777468731631976,
"density_atomic": 0.107674435788506,
"volume": 222.89413289465267,
"volume_molar": 5.5929160119572705,
"formula_full": "Li12 B4 N8",
"formula_reduced": "Li3BN2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.9514531805555557,
"spacegroup": 14
}
]
}