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=formula_anonymous&page=3653",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3651",
"results": [
{
"id": "jvasp-18145",
"created_at": "2022-09-04T14:37:31.384106Z",
"updated_at": "2022-09-04T14:37:31.384123Z",
"structure_string": "Y2 In4 Ni2\n1.0\n4.334615 0.000000 0.000000\n-2.167308 5.237609 -0.000000\n0.000000 0.000000 7.339472\nY In Ni\n2 4 2\ndirect\n0.068527 0.137053 0.750000 Y\n0.931474 0.862947 0.250000 Y\n0.357592 0.715182 0.951330 In\n0.642409 0.284818 0.048670 In\n0.642409 0.284818 0.451330 In\n0.357592 0.715182 0.548670 In\n0.788101 0.576199 0.750000 Ni\n0.211900 0.423801 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"In",
"Ni"
],
"chemical_system": "In-Ni-Y",
"density": 7.518703160700925,
"density_atomic": 0.04801108993080071,
"volume": 166.62816885704015,
"volume_molar": 12.543228592976801,
"formula_full": "Y2 In4 Ni2",
"formula_reduced": "YIn2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6233669474999999,
"spacegroup": 63
},
{
"id": "jvasp-35721",
"created_at": "2022-09-04T14:37:31.386982Z",
"updated_at": "2022-09-04T14:37:31.387007Z",
"structure_string": "Ti2 In1 Fe1\n1.0\n3.173705 3.173705 -0.000000\n3.173705 0.000000 -3.173705\n0.000000 3.173705 -3.173705\nTi In Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 In\n0.499999 0.499999 0.499999 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"In",
"Fe"
],
"chemical_system": "Fe-In-Ti",
"density": 6.919086553465795,
"density_atomic": 0.06256483844787104,
"volume": 63.933674236732756,
"volume_molar": 9.625439638939756,
"formula_full": "Ti2 In1 Fe1",
"formula_reduced": "Ti2InFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6409655341666665,
"spacegroup": 216
},
{
"id": "jvasp-80858",
"created_at": "2022-09-04T14:37:09.344999Z",
"updated_at": "2022-09-04T14:37:09.345020Z",
"structure_string": "Hf2 Ni1 Rh1\n1.0\n-11.616563 -0.000000 -6.706825\n-6.989466 -0.390754 -1.307541\n-6.017807 2.357514 -2.990504\nHf Ni Rh\n2 1 1\ndirect\n0.678864 -0.000001 -0.000000 Hf\n0.321137 -0.000001 -0.000000 Hf\n0.000000 0.000000 0.000000 Ni\n0.500001 -0.000001 -0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"Rh"
],
"chemical_system": "Hf-Ni-Rh",
"density": 11.197734650630759,
"density_atomic": 0.05201471504724294,
"volume": 76.9013152598636,
"volume_molar": 11.577763628100865,
"formula_full": "Hf2 Ni1 Rh1",
"formula_reduced": "Hf2NiRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.799387850000001,
"spacegroup": 139
},
{
"id": "jvasp-24626",
"created_at": "2022-09-04T14:37:10.222276Z",
"updated_at": "2022-09-04T14:37:10.222286Z",
"structure_string": "Na1 H1 F2\n1.0\n3.236346 0.009369 3.876004\n1.411899 2.912141 3.876004\n0.014906 0.009369 5.049467\nNa H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.499998 H\n0.582438 0.582437 0.582434 F\n0.417565 0.417564 0.417562 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"H",
"F"
],
"chemical_system": "F-H-Na",
"density": 2.176921935355859,
"density_atomic": 0.08458638754720922,
"volume": 47.28893284120363,
"volume_molar": 7.119515248997875,
"formula_full": "Na1 H1 F2",
"formula_reduced": "NaHF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.003325,
"spacegroup": 166
},
{
"id": "jvasp-22200",
"created_at": "2022-09-04T14:37:33.967514Z",
"updated_at": "2022-09-04T14:37:33.967548Z",
"structure_string": "Lu8 B16 C8\n1.0\n6.723182 0.000000 -0.000000\n-0.000000 6.723182 0.000000\n0.000000 0.000000 7.190895\nLu B C\n8 16 8\ndirect\n0.308581 0.808581 0.750001 Lu\n0.191419 0.308581 0.250000 Lu\n0.808581 0.691419 0.250000 Lu\n0.691419 0.191419 0.750001 Lu\n0.691419 0.191419 0.250000 Lu\n0.808581 0.691419 0.750001 Lu\n0.191419 0.308581 0.750001 Lu\n0.308581 0.808581 0.250000 Lu\n0.907005 0.403290 0.500000 B\n0.092995 0.596709 0.500000 B\n0.903290 0.407005 0.000000 B\n0.403290 0.092995 0.000000 B\n0.596709 0.907005 0.000000 B\n0.592995 0.903290 0.500000 B\n0.407005 0.096710 0.500000 B\n0.096710 0.592995 0.000000 B\n0.466000 0.346520 0.500000 B\n0.966000 0.153480 0.500000 B\n0.034000 0.846520 0.500000 B\n0.653480 0.466000 0.000000 B\n0.346520 0.534000 0.000000 B\n0.846520 0.966000 0.000000 B\n0.534000 0.653480 0.500000 B\n0.153480 0.034000 0.000000 B\n0.177885 0.040039 0.500000 C\n0.677885 0.459961 0.500000 C\n0.322115 0.540039 0.500000 C\n0.959960 0.177885 0.000000 C\n0.040039 0.822115 0.000000 C\n0.540039 0.677885 0.000000 C\n0.822115 0.959960 0.500000 C\n0.459961 0.322115 0.000000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Lu",
"B",
"C"
],
"chemical_system": "B-C-Lu",
"density": 8.525504356640617,
"density_atomic": 0.09845035693421547,
"volume": 325.0369119675452,
"volume_molar": 6.116931362700893,
"formula_full": "Lu8 B16 C8",
"formula_reduced": "LuB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.917520229166666,
"spacegroup": 135
},
{
"id": "jvasp-35672",
"created_at": "2022-09-04T14:37:31.449973Z",
"updated_at": "2022-09-04T14:37:31.449994Z",
"structure_string": "Sr1 Ca1 O2\n1.0\n3.544529 0.000000 -0.000000\n0.000000 3.544529 -0.000000\n0.000000 -0.000000 5.007942\nSr Ca O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"O"
],
"chemical_system": "Ca-O-Sr",
"density": 4.214722183179879,
"density_atomic": 0.06357459951652154,
"volume": 62.918209952081476,
"volume_molar": 9.472557917466688,
"formula_full": "Sr1 Ca1 O2",
"formula_reduced": "SrCaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1796684325000002,
"spacegroup": 123
},
{
"id": "jvasp-36167",
"created_at": "2022-09-04T14:37:31.520672Z",
"updated_at": "2022-09-04T14:37:31.520692Z",
"structure_string": "Cr1 Fe2 Sb1\n1.0\n2.977608 2.977608 -0.000000\n2.977608 0.000000 -2.977608\n-0.000000 2.977608 -2.977608\nCr Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"Sb"
],
"chemical_system": "Cr-Fe-Sb",
"density": 8.977194767310623,
"density_atomic": 0.07575781282331433,
"volume": 52.79983477517988,
"volume_molar": 7.949200928021906,
"formula_full": "Cr1 Fe2 Sb1",
"formula_reduced": "CrFe2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.370003625,
"spacegroup": 225
},
{
"id": "jvasp-11009",
"created_at": "2022-09-04T14:37:10.167361Z",
"updated_at": "2022-09-04T14:37:10.167382Z",
"structure_string": "Y4 Cu4 S8\n1.0\n3.962986 0.000000 0.000000\n0.000000 6.272162 0.000000\n0.000000 0.000000 13.429740\nY Cu S\n4 4 8\ndirect\n0.249752 0.750724 0.633770 Y\n0.749752 0.749275 0.366230 Y\n0.750249 0.250724 0.866230 Y\n0.250249 0.249276 0.133770 Y\n0.750496 0.627907 0.046713 Cu\n0.249505 0.127907 0.453287 Cu\n0.250496 0.872093 0.953287 Cu\n0.749505 0.372093 0.546713 Cu\n0.749775 0.511380 0.705521 S\n0.249774 0.988620 0.294479 S\n0.250226 0.011380 0.794479 S\n0.750227 0.488620 0.205521 S\n0.749721 0.994730 0.539982 S\n0.750280 0.005270 0.039982 S\n0.250280 0.494730 0.960018 S\n0.249721 0.505270 0.460018 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Cu",
"S"
],
"chemical_system": "Cu-S-Y",
"density": 4.309468771745185,
"density_atomic": 0.047930567687444435,
"volume": 333.81620064122984,
"volume_molar": 12.564300926436802,
"formula_full": "Y4 Cu4 S8",
"formula_reduced": "YCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1904739749999995,
"spacegroup": 62
},
{
"id": "jvasp-41829",
"created_at": "2022-09-04T14:37:31.482782Z",
"updated_at": "2022-09-04T14:37:31.482802Z",
"structure_string": "Ho2 Tl1 Ag1\n1.0\n0.000003 3.678004 3.678000\n3.678006 -0.000003 3.678005\n3.678004 3.678005 -0.000000\nHo Tl Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500000 0.499999 Ho\n0.750001 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ho-Tl",
"density": 10.715029993787818,
"density_atomic": 0.0401969779873724,
"volume": 99.5099681686661,
"volume_molar": 14.981575883370668,
"formula_full": "Ho2 Tl1 Ag1",
"formula_reduced": "Ho2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3801802483333332,
"spacegroup": 225
},
{
"id": "jvasp-42109",
"created_at": "2022-09-04T14:37:31.538446Z",
"updated_at": "2022-09-04T14:37:31.538473Z",
"structure_string": "Ca1 Pm1 Pt2\n1.0\n-0.000000 3.525035 3.525035\n3.525035 -0.000000 3.525035\n3.525035 3.525035 -0.000000\nCa Pm Pt\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Pm\n0.500001 0.500001 0.500001 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pm",
"Pt"
],
"chemical_system": "Ca-Pm-Pt",
"density": 10.903913783804521,
"density_atomic": 0.04566039827389842,
"volume": 87.60326565715883,
"volume_molar": 13.18897992057711,
"formula_full": "Ca1 Pm1 Pt2",
"formula_reduced": "CaPmPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3142085987499998,
"spacegroup": 225
},
{
"id": "jvasp-58032",
"created_at": "2022-09-04T14:37:31.543125Z",
"updated_at": "2022-09-04T14:37:31.543152Z",
"structure_string": "Mg4 Cu4 O8\n1.0\n3.129482 0.170523 0.024566\n-0.785193 7.976847 0.284457\n-1.443005 -2.588947 7.522462\nMg Cu O\n4 4 8\ndirect\n0.627502 0.752676 0.140833 Mg\n0.533801 0.226294 0.862554 Mg\n0.964978 0.828298 0.780250 Mg\n0.072790 0.091849 0.181483 Mg\n0.368195 0.424971 0.252054 Cu\n0.197377 0.822606 0.477537 Cu\n0.814346 0.146769 0.516519 Cu\n0.216530 0.478319 0.653741 Cu\n0.736443 0.346154 0.693510 O\n0.633081 0.236399 0.318861 O\n0.395492 0.705646 0.649094 O\n0.185881 0.642874 0.258137 O\n0.111248 0.245942 0.020588 O\n0.909838 0.955808 0.344271 O\n0.088358 0.847483 0.024741 O\n0.115570 0.025364 0.683677 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.160000212285546,
"density_atomic": 0.08361167677766976,
"volume": 191.36083160424232,
"volume_molar": 7.202511649196274,
"formula_full": "Mg4 Cu4 O8",
"formula_reduced": "MgCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4739066249999999,
"spacegroup": 1
},
{
"id": "jvasp-56222",
"created_at": "2022-09-04T14:37:31.547335Z",
"updated_at": "2022-09-04T14:37:31.547359Z",
"structure_string": "U2 B4 C2\n1.0\n3.522534 0.000000 0.000000\n0.000000 4.102336 0.000000\n0.000000 -0.000000 6.020156\nU B C\n2 4 2\ndirect\n0.000000 0.300829 0.250000 U\n0.000000 0.699172 0.750000 U\n0.499999 0.159903 0.598089 B\n0.499999 0.159903 0.901912 B\n0.499999 0.840098 0.098088 B\n0.499999 0.840098 0.401912 B\n0.499999 0.500001 0.500000 C\n0.499999 0.500001 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"B",
"C"
],
"chemical_system": "B-C-U",
"density": 10.370822380290829,
"density_atomic": 0.09195933454513884,
"volume": 86.99497489374663,
"volume_molar": 6.548699802785103,
"formula_full": "U2 B4 C2",
"formula_reduced": "UB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.117527791666667,
"spacegroup": 51
}
]
}