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=1169",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1167",
"results": [
{
"id": "jvasp-117045",
"created_at": "2022-09-04T14:38:47.266491Z",
"updated_at": "2022-09-04T14:38:47.266511Z",
"structure_string": "Hf2 Cr2 Cu2 S8\n1.0\n6.236140 0.011289 -3.524390\n-2.102886 5.866814 -3.531184\n-0.024748 -0.011289 7.163110\nHf Cr Cu S\n2 2 2 8\ndirect\n0.249951 0.750000 -0.000048 Hf\n0.250048 0.250000 0.500048 Hf\n0.249999 0.750006 0.500006 Cr\n0.749999 0.749993 -0.000006 Cr\n0.880855 0.130855 0.750000 Cu\n0.619145 0.369145 0.250000 Cu\n0.501309 0.979498 0.978200 S\n0.010639 0.507904 0.502684 S\n0.501297 0.523109 0.521799 S\n0.505219 0.507955 0.997315 S\n0.998702 0.520501 0.021811 S\n0.994779 0.992095 0.002736 S\n0.998689 0.976890 0.478188 S\n0.489360 -0.007956 0.497264 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Hf",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Hf-S",
"density": 5.365236329034419,
"density_atomic": 0.05355806058577384,
"volume": 261.3985616148076,
"volume_molar": 11.24413523218503,
"formula_full": "Hf2 Cr2 Cu2 S8",
"formula_reduced": "HfCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.682688692857144,
"spacegroup": 74
},
{
"id": "jvasp-15280",
"created_at": "2022-09-04T14:36:44.422434Z",
"updated_at": "2022-09-04T14:36:44.422459Z",
"structure_string": "Sm1 Si2 Rh2\n1.0\n3.837890 0.000000 -1.438192\n-0.538941 3.799861 -1.438192\n-0.008295 -0.009554 5.817765\nSm Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.623273 0.623272 0.246546 Si\n0.376729 0.376729 0.753456 Si\n0.250001 0.750000 0.500001 Rh\n0.750001 0.250000 0.500001 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Sm",
"density": 8.080355813352977,
"density_atomic": 0.05900567989158531,
"volume": 84.73760507779592,
"volume_molar": 10.206035708875556,
"formula_full": "Sm1 Si2 Rh2",
"formula_reduced": "Sm(SiRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.682658415,
"spacegroup": 139
},
{
"id": "jvasp-113560",
"created_at": "2022-09-04T14:38:46.522490Z",
"updated_at": "2022-09-04T14:38:46.522507Z",
"structure_string": "Ca1 N2\n1.0\n3.769583 0.551402 0.983012\n-0.188908 -3.868471 0.342514\n-1.111607 1.413467 -3.087738\nCa N\n1 2\ndirect\n0.096359 0.075316 0.095504 Ca\n0.490484 0.680377 0.095598 N\n0.702262 0.470260 0.095379 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.9613940160288004,
"density_atomic": 0.0785734980475221,
"volume": 38.180812545542615,
"volume_molar": 7.664340916014385,
"formula_full": "Ca1 N2",
"formula_reduced": "CaN2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.682525639999999,
"spacegroup": 139
},
{
"id": "jvasp-91215",
"created_at": "2022-09-04T14:36:14.369273Z",
"updated_at": "2022-09-04T14:36:14.369291Z",
"structure_string": "Lu2 Ta2 O8\n1.0\n4.718047 0.005509 -1.785153\n-1.255547 4.694749 -1.953529\n-0.011514 0.004097 6.421763\nLu Ta O\n2 2 8\ndirect\n0.381118 0.631118 0.262236 Lu\n0.618883 0.368883 0.737765 Lu\n0.853934 0.103934 0.207869 Ta\n0.146067 0.896067 0.792132 Ta\n0.003587 0.782900 0.062114 O\n0.558527 0.279216 0.062114 O\n0.996414 0.217101 0.937887 O\n0.441474 0.720786 0.937886 O\n0.215048 0.375897 0.425509 O\n0.710462 0.049613 0.425509 O\n0.784953 0.624104 0.574491 O\n0.289539 0.950388 0.574491 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Ta",
"O"
],
"chemical_system": "Lu-O-Ta",
"density": 9.804473120735882,
"density_atomic": 0.0843660334617046,
"volume": 142.23733779598678,
"volume_molar": 7.1381105794591715,
"formula_full": "Lu2 Ta2 O8",
"formula_reduced": "LuTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.682518158333333,
"spacegroup": 15
},
{
"id": "jvasp-47608",
"created_at": "2022-09-04T14:38:16.464675Z",
"updated_at": "2022-09-04T14:38:16.464693Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n-2.830710 1.634311 4.622529\n-0.000000 3.268622 -4.622529\n-2.848159 -1.644386 -4.629654\nLi Co Ni O\n2 3 1 8\ndirect\n0.873420 0.126579 0.620260 Li\n0.126580 0.873419 0.379740 Li\n0.500000 0.500000 0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.500000 0.499999 0.500000 Ni\n0.736989 0.709473 0.764505 O\n0.736989 0.263009 0.764505 O\n0.264134 0.735865 0.792401 O\n0.290525 0.263009 0.764505 O\n0.709474 0.736989 0.235496 O\n0.735866 0.264133 0.207600 O\n0.263010 0.736989 0.235496 O\n0.263010 0.290525 0.235496 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.86130027941216,
"density_atomic": 0.10860849644788458,
"volume": 128.90335892567902,
"volume_molar": 5.544815513480295,
"formula_full": "Li2 Co3 Ni1 O8",
"formula_reduced": "Li2Co3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6824387928571425,
"spacegroup": 166
},
{
"id": "jvasp-51611",
"created_at": "2022-09-04T14:38:30.361094Z",
"updated_at": "2022-09-04T14:38:30.361110Z",
"structure_string": "Yb1 Mn4 Cu3 O12\n1.0\n5.879649 0.000003 -2.078777\n-2.939809 5.091834 -2.078742\n-0.000027 -0.000004 6.236253\nYb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Yb\n-0.000000 0.000001 0.500000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n1.000000 0.499999 -0.000001 Mn\n0.500000 0.000000 0.500000 Cu\n0.500000 0.499999 -0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.520878 0.821345 0.699529 O\n0.821342 0.300472 0.121817 O\n0.821344 0.699527 0.520869 O\n0.699527 0.520870 0.821343 O\n0.699525 0.878181 0.178656 O\n0.178655 0.300473 0.479130 O\n0.878184 0.178654 0.699533 O\n0.178658 0.699528 0.878182 O\n0.300473 0.479129 0.178656 O\n0.121815 0.821345 0.300466 O\n0.479121 0.178654 0.300469 O\n0.300474 0.121819 0.821343 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-Yb",
"density": 6.8966646528728095,
"density_atomic": 0.1071226579549381,
"volume": 186.70186477648025,
"volume_molar": 5.621724549192249,
"formula_full": "Yb1 Mn4 Cu3 O12",
"formula_reduced": "YbMn4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.6823661507758616,
"spacegroup": 204
},
{
"id": "jvasp-86586",
"created_at": "2022-09-04T14:35:51.681970Z",
"updated_at": "2022-09-04T14:35:51.682001Z",
"structure_string": "Sr2 Co1 W1 O6\n1.0\n4.886976 0.018504 2.782278\n1.645978 4.572167 2.792397\n-0.012052 -0.003307 5.591343\nSr Co W O\n2 1 1 6\ndirect\n0.248768 0.249967 0.252687 Sr\n0.751234 0.750032 0.747313 Sr\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 W\n0.206268 0.788158 0.725936 O\n0.793735 0.211841 0.274064 O\n0.707075 0.260059 0.806980 O\n0.292927 0.739941 0.193020 O\n0.225776 0.259277 0.738437 O\n0.774225 0.740722 0.261562 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Co",
"W",
"O"
],
"chemical_system": "Co-O-Sr-W",
"density": 6.831229390889554,
"density_atomic": 0.08003474131645846,
"volume": 124.94574025622026,
"volume_molar": 7.524408351853569,
"formula_full": "Sr2 Co1 W1 O6",
"formula_reduced": "Sr2CoWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.682315452,
"spacegroup": 2
},
{
"id": "jvasp-67993",
"created_at": "2022-09-04T14:36:17.117973Z",
"updated_at": "2022-09-04T14:36:17.117998Z",
"structure_string": "Na1 Be1 V2\n1.0\n-1.910131 1.910131 3.871680\n1.910131 -1.910131 3.871680\n1.910131 1.910131 -3.871680\nNa Be V\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500000 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"V"
],
"chemical_system": "Be-Na-V",
"density": 3.9345503757920195,
"density_atomic": 0.07079037926813883,
"volume": 56.504853362190005,
"volume_molar": 8.507004514256687,
"formula_full": "Na1 Be1 V2",
"formula_reduced": "NaBeV2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.682160875,
"spacegroup": 119
},
{
"id": "jvasp-100005",
"created_at": "2022-09-04T14:36:31.838629Z",
"updated_at": "2022-09-04T14:36:31.838665Z",
"structure_string": "Dy2 Mn2 Fe2\n1.0\n4.448227 -0.009090 -2.495969\n-1.456115 4.142800 -2.594916\n-0.016583 0.009090 5.100618\nDy Mn Fe\n2 2 2\ndirect\n0.126649 0.876648 0.250000 Dy\n0.873353 0.123352 0.750001 Dy\n0.500001 0.500000 -0.000000 Mn\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"Fe"
],
"chemical_system": "Dy-Fe-Mn",
"density": 9.666225192573522,
"density_atomic": 0.06390228352547718,
"volume": 93.89335824920657,
"volume_molar": 9.423983663430485,
"formula_full": "Dy2 Mn2 Fe2",
"formula_reduced": "DyMnFe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6820764137931032,
"spacegroup": 74
},
{
"id": "jvasp-85488",
"created_at": "2022-09-04T14:35:46.682761Z",
"updated_at": "2022-09-04T14:35:46.682779Z",
"structure_string": "Li1 Fe6 Ge4\n1.0\n5.033599 -0.000000 -0.000000\n-2.516800 4.358815 0.050698\n-0.000000 2.830611 6.484966\nLi Fe Ge\n1 6 4\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.599762 0.199522 0.185537 Fe\n0.400238 0.800476 0.814464 Fe\n0.114934 0.714702 0.185545 Fe\n0.885066 0.285296 0.814456 Fe\n0.599768 0.714702 0.185545 Fe\n0.400231 0.285296 0.814456 Fe\n0.873340 0.746680 0.879968 Ge\n0.668563 0.337124 0.494296 Ge\n0.126659 0.253318 0.120033 Ge\n0.331437 0.662874 0.505705 Ge\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Li",
"density": 7.420173960319631,
"density_atomic": 0.07770489838293433,
"volume": 141.56121723229532,
"volume_molar": 7.7500143302710915,
"formula_full": "Li1 Fe6 Ge4",
"formula_reduced": "Li(Fe3Ge2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.682072436363636,
"spacegroup": 166
},
{
"id": "jvasp-4492",
"created_at": "2022-09-04T14:35:44.787188Z",
"updated_at": "2022-09-04T14:35:44.787213Z",
"structure_string": "Lu2 Ta2 O8\n1.0\n0.000000 5.063810 0.112651\n5.404404 0.000000 0.000000\n0.000000 -0.426450 -5.225709\nLu Ta O\n2 2 8\ndirect\n0.000000 0.767290 0.250000 Lu\n0.000000 0.232709 0.750000 Lu\n0.500000 0.700226 0.750000 Ta\n0.500000 0.299773 0.250000 Ta\n0.263639 0.564393 -0.004104 O\n0.736361 0.564393 0.504104 O\n0.736361 0.435606 0.004104 O\n0.263639 0.435606 0.495896 O\n0.753584 0.077759 0.408524 O\n0.246416 0.077759 0.091477 O\n0.246416 0.922240 0.591477 O\n0.753584 0.922240 0.908524 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Ta",
"O"
],
"chemical_system": "Lu-O-Ta",
"density": 9.769145869342257,
"density_atomic": 0.08406204771596563,
"volume": 142.7516974193442,
"volume_molar": 7.163923463235163,
"formula_full": "Lu2 Ta2 O8",
"formula_reduced": "LuTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6820648250000003,
"spacegroup": 13
},
{
"id": "jvasp-101676",
"created_at": "2022-09-04T14:36:40.433135Z",
"updated_at": "2022-09-04T14:36:40.433145Z",
"structure_string": "Y2 U1 Se3\n1.0\n4.025338 -0.000000 0.000000\n-2.012669 3.486044 0.000000\n0.000000 0.000000 10.227448\nY U Se\n2 1 3\ndirect\n0.333333 0.666666 0.671984 Y\n0.666667 0.333333 0.328016 Y\n0.000000 0.000000 0.000000 U\n0.333333 0.666666 0.169768 Se\n0.666667 0.333333 0.830233 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"U",
"Se"
],
"chemical_system": "Se-U-Y",
"density": 7.552207709167702,
"density_atomic": 0.041806975780110986,
"volume": 143.51671911304348,
"volume_molar": 14.404631398535503,
"formula_full": "Y2 U1 Se3",
"formula_reduced": "Y2USe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.6820445,
"spacegroup": 164
}
]
}