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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=114",
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"results": [
{
"id": "jvasp-103113",
"created_at": "2022-09-04T14:36:42.576738Z",
"updated_at": "2022-09-04T14:36:42.576764Z",
"structure_string": "Ce1 Co1 Cu1 Si2\n1.0\n3.770802 -0.011459 -4.180259\n-0.565562 3.728166 -4.180259\n0.009882 0.011459 5.629691\nCe Co Cu Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750001 0.500001 Co\n0.749999 0.250000 0.500000 Cu\n0.625756 0.625757 0.000000 Si\n0.374244 0.374244 0.000000 Si\n",
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],
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"formula_full": "Ce1 Co1 Cu1 Si2",
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{
"id": "jvasp-102302",
"created_at": "2022-09-04T14:36:42.237989Z",
"updated_at": "2022-09-04T14:36:42.238010Z",
"structure_string": "Th2 Si2 Ru4 C2\n1.0\n5.971211 -0.005276 0.000000\n-4.662455 3.730537 0.000000\n-0.000000 0.000000 7.191392\nTh Si Ru C\n2 2 4 2\ndirect\n0.554440 0.445560 0.250000 Th\n0.445560 0.554440 0.750000 Th\n0.273663 0.726338 0.250000 Si\n0.726337 0.273662 0.750000 Si\n0.835641 0.164358 0.055847 Ru\n0.164360 0.835642 0.944153 Ru\n0.164360 0.835642 0.555847 Ru\n0.835641 0.164358 0.444153 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"density": 9.84332378407878,
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"volume_molar": 9.636465694712234,
"formula_full": "Th2 Si2 Ru4 C2",
"formula_reduced": "ThSiRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-99652",
"created_at": "2022-09-04T14:36:42.328023Z",
"updated_at": "2022-09-04T14:36:42.328047Z",
"structure_string": "Sm1 Zn1 Cu1 P2\n1.0\n4.021628 -0.000000 0.000000\n-2.010814 3.482832 0.000000\n-0.000000 -0.000000 6.635685\nSm Zn Cu P\n1 1 1 2\ndirect\n0.666667 0.333333 0.014975 Sm\n0.333334 0.666666 0.627144 Zn\n0.000000 0.000000 0.354818 Cu\n0.000000 0.000000 0.741773 P\n0.333334 0.666666 0.261288 P\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Zn",
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],
"chemical_system": "Cu-P-Sm-Zn",
"density": 6.097018493889313,
"density_atomic": 0.053795979659362315,
"volume": 92.94374842990393,
"volume_molar": 11.19440671613821,
"formula_full": "Sm1 Zn1 Cu1 P2",
"formula_reduced": "SmZnCuP2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0074801450000002,
"spacegroup": 156
},
{
"id": "jvasp-103665",
"created_at": "2022-09-04T14:36:41.428283Z",
"updated_at": "2022-09-04T14:36:41.428299Z",
"structure_string": "Yb1 Mn2 Bi1 Sb1\n1.0\n4.359425 -0.000000 0.000000\n-2.179712 3.775373 0.000000\n-0.000000 -0.000000 7.729288\nYb Mn Bi Sb\n1 2 1 1\ndirect\n0.666667 0.333333 0.011181 Yb\n0.000000 0.000000 0.600351 Mn\n0.333334 0.666666 0.385585 Mn\n0.333334 0.666666 0.747463 Bi\n0.000000 0.000000 0.255420 Sb\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Mn",
"Bi",
"Sb"
],
"chemical_system": "Bi-Mn-Sb-Yb",
"density": 8.010246176315247,
"density_atomic": 0.03930442421678984,
"volume": 127.2121421349846,
"volume_molar": 15.321788526360084,
"formula_full": "Yb1 Mn2 Bi1 Sb1",
"formula_reduced": "YbMn2BiSb",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.167861116551724,
"spacegroup": 156
},
{
"id": "jvasp-103000",
"created_at": "2022-09-04T14:36:43.322482Z",
"updated_at": "2022-09-04T14:36:43.322505Z",
"structure_string": "Pr2 Si2 Ru4 C2\n1.0\n5.921797 0.007904 0.000000\n-4.597239 3.732711 -0.000000\n0.000000 0.000000 7.231775\nPr Si Ru C\n2 2 4 2\ndirect\n0.550640 0.449359 0.250000 Pr\n0.449359 0.550640 0.750001 Pr\n0.272004 0.727995 0.250000 Si\n0.727995 0.272003 0.750001 Si\n0.835193 0.164805 0.058395 Ru\n0.164806 0.835193 0.941606 Ru\n0.164806 0.835193 0.558395 Ru\n0.835193 0.164805 0.441605 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ru",
"C"
],
"chemical_system": "C-Pr-Ru-Si",
"density": 7.9470295685634325,
"density_atomic": 0.06245452028306054,
"volume": 160.11651285891452,
"volume_molar": 9.642441784367334,
"formula_full": "Pr2 Si2 Ru4 C2",
"formula_reduced": "PrSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.12052989,
"spacegroup": 63
},
{
"id": "jvasp-100280",
"created_at": "2022-09-04T14:36:42.147396Z",
"updated_at": "2022-09-04T14:36:42.147416Z",
"structure_string": "Er2 Mn4 Si2 C2\n1.0\n5.590346 -0.005073 0.000000\n-4.384557 3.468091 -0.000000\n0.000000 -0.000000 6.963548\nEr Mn Si C\n2 4 2 2\ndirect\n0.542738 0.457262 0.250000 Er\n0.457262 0.542738 0.750000 Er\n0.832075 0.167926 0.060992 Mn\n0.167925 0.832074 0.939008 Mn\n0.167925 0.832074 0.560992 Mn\n0.832075 0.167926 0.439008 Mn\n0.264157 0.735842 0.250000 Si\n0.735843 0.264158 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Er-Mn-Si",
"density": 7.81256958029276,
"density_atomic": 0.07415471803881017,
"volume": 134.8531862094914,
"volume_molar": 8.12104869288048,
"formula_full": "Er2 Mn4 Si2 C2",
"formula_reduced": "ErMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.941244616551724,
"spacegroup": 63
},
{
"id": "jvasp-100651",
"created_at": "2022-09-04T14:36:47.146392Z",
"updated_at": "2022-09-04T14:36:47.146416Z",
"structure_string": "La1 Fe1 Si2 Rh1\n1.0\n3.856513 0.000484 -4.397884\n-0.545871 3.817684 -4.397884\n-0.000420 -0.000484 5.849280\nLa Fe Si Rh\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.749999 0.500000 Fe\n0.635813 0.635812 -0.000001 Si\n0.364186 0.364185 -0.000000 Si\n0.749999 0.249999 0.500000 Rh\n",
"nsites": 5,
"nelements": 4,
"elements": [
"La",
"Fe",
"Si",
"Rh"
],
"chemical_system": "Fe-La-Rh-Si",
"density": 6.823667695906782,
"density_atomic": 0.058069467370472645,
"volume": 86.10376892388058,
"volume_molar": 10.37058032852245,
"formula_full": "La1 Fe1 Si2 Rh1",
"formula_reduced": "LaFeSi2Rh",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.9204161399999995,
"spacegroup": 119
},
{
"id": "jvasp-100556",
"created_at": "2022-09-04T14:36:53.584879Z",
"updated_at": "2022-09-04T14:36:53.584907Z",
"structure_string": "La1 Mn1 Fe1 Ge2\n1.0\n3.863569 0.007034 -4.704889\n-0.489711 3.832414 -4.704889\n-0.006181 -0.007034 6.087948\nLa Mn Fe Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.749999 0.500000 Mn\n0.750000 0.249999 0.500000 Fe\n0.630961 0.630959 -0.000001 Ge\n0.369040 0.369039 -0.000001 Ge\n",
"nsites": 5,
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"elements": [
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"Fe",
"Ge"
],
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"density": 7.294743859804608,
"density_atomic": 0.05561199523343059,
"volume": 89.90866051492252,
"volume_molar": 10.828852183278348,
"formula_full": "La1 Mn1 Fe1 Ge2",
"formula_reduced": "LaMnFeGe2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.284485928275862,
"spacegroup": 119
},
{
"id": "jvasp-101133",
"created_at": "2022-09-04T14:36:44.963838Z",
"updated_at": "2022-09-04T14:36:44.963856Z",
"structure_string": "Nd1 Fe1 Co1 Si2\n1.0\n3.735849 0.009766 -4.272595\n-0.519572 3.699555 -4.272595\n-0.008468 -0.009766 5.675523\nNd Fe Co Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.499999 Fe\n0.250000 0.749999 0.499998 Co\n0.636913 0.636913 -0.000001 Si\n0.363088 0.363087 -0.000000 Si\n",
"nsites": 5,
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"elements": [
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"Fe",
"Co",
"Si"
],
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"density": 6.696441209686029,
"density_atomic": 0.06397214168646125,
"volume": 78.15902153949891,
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"formula_full": "Nd1 Fe1 Co1 Si2",
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"spacegroup": 119
},
{
"id": "jvasp-103111",
"created_at": "2022-09-04T14:36:41.070242Z",
"updated_at": "2022-09-04T14:36:41.070277Z",
"structure_string": "Ce1 Mn1 Cr1 Si2\n1.0\n3.761351 -0.000000 1.368039\n-0.497568 3.728296 1.368039\n-0.009936 -0.011350 5.882159\nCe Mn Cr Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.750001 0.500000 Mn\n0.749999 0.250000 0.500000 Cr\n0.377534 0.377535 0.244931 Si\n0.622464 0.622466 0.755070 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.095411427719139,
"density_atomic": 0.060529132327698514,
"volume": 82.60485170893435,
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"formula_full": "Ce1 Mn1 Cr1 Si2",
"formula_reduced": "CeMnCrSi2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.640351468275862,
"spacegroup": 119
},
{
"id": "jvasp-102670",
"created_at": "2022-09-04T14:36:53.653048Z",
"updated_at": "2022-09-04T14:36:53.653070Z",
"structure_string": "Tb1 Si2 Ir1 Rh1\n1.0\n3.815231 -0.002402 -4.321527\n-0.547674 3.775718 -4.321527\n0.002080 0.002402 5.764684\nTb Si Ir Rh\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621356 0.621356 0.000000 Si\n0.378645 0.378645 0.000000 Si\n0.250001 0.750000 0.500000 Ir\n0.750000 0.250000 0.499999 Rh\n",
"nsites": 5,
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"elements": [
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"Ir",
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],
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"density": 10.193775515236055,
"density_atomic": 0.06015884267095145,
"volume": 83.11330102123658,
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"formula_full": "Tb1 Si2 Ir1 Rh1",
"formula_reduced": "TbSi2IrRh",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.02797594,
"spacegroup": 119
},
{
"id": "jvasp-100427",
"created_at": "2022-09-04T14:36:47.943911Z",
"updated_at": "2022-09-04T14:36:47.943928Z",
"structure_string": "Bi1 Pb1 I1 O2\n1.0\n3.904522 -0.006344 -6.373370\n-0.315814 3.891734 -6.373370\n0.005860 0.006344 7.474296\nBi Pb I O\n1 1 1 2\ndirect\n0.335408 0.335408 0.000000 Bi\n0.660194 0.660193 0.000000 Pb\n0.991561 0.991560 0.000000 I\n0.756418 0.256418 0.500000 O\n0.256419 0.756417 0.500000 O\n",
"nsites": 5,
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],
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"formula_full": "Bi1 Pb1 I1 O2",
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"spacegroup": 107
}
]
}