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=updated_at&page=463",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=461",
"results": [
{
"id": "jvasp-48433",
"created_at": "2022-09-04T14:35:55.967068Z",
"updated_at": "2022-09-04T14:35:55.967090Z",
"structure_string": "Li6 Co2 O4 F2\n1.0\n5.428876 0.223794 -0.041682\n0.581716 5.137766 -0.003396\n0.273759 2.566987 5.060333\nLi Co O F\n6 2 4 2\ndirect\n0.883703 0.243630 0.368483 Li\n0.841010 0.837133 0.974799 Li\n0.579647 0.001388 0.287287 Li\n0.420354 -0.001389 0.712713 Li\n0.158991 0.162868 0.025200 Li\n0.116298 0.756370 0.631516 Li\n0.642128 0.524566 0.658288 Co\n0.357873 0.475435 0.341711 Co\n0.757380 0.866153 0.639424 O\n0.668958 0.619386 0.282542 O\n0.331044 0.380615 0.717457 O\n0.242621 0.133848 0.360575 O\n0.810782 0.201391 0.037144 F\n0.189220 0.798609 -0.037144 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.090053859188648,
"density_atomic": 0.09962354853514031,
"volume": 140.5290235677739,
"volume_molar": 6.044896862789227,
"formula_full": "Li6 Co2 O4 F2",
"formula_reduced": "Li3CoO2F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.3655568832142857,
"spacegroup": 2
},
{
"id": "jvasp-94381",
"created_at": "2022-09-04T14:35:55.967322Z",
"updated_at": "2022-09-04T14:35:55.967348Z",
"structure_string": "Y2 Mg4\n1.0\n3.364753 -0.000000 -0.000000\n-1.682377 2.913961 -0.000000\n0.000000 0.000000 16.176163\nY Mg\n2 4\ndirect\n0.333332 0.666667 0.590420 Y\n0.666666 0.333333 0.409580 Y\n0.333332 0.666667 0.921474 Mg\n0.666666 0.333333 0.763854 Mg\n0.333332 0.666667 0.236146 Mg\n0.666666 0.333333 0.078526 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.8795154448824034,
"density_atomic": 0.03783021521301395,
"volume": 158.6033800287751,
"volume_molar": 15.918864659084274,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7042117738095237,
"spacegroup": 164
},
{
"id": "jvasp-90127",
"created_at": "2022-09-04T14:35:55.969313Z",
"updated_at": "2022-09-04T14:35:55.969341Z",
"structure_string": "Nb3 Re3 Si3\n1.0\n0.000000 0.000000 -3.331464\n-3.450828 -5.977011 0.000000\n-3.450822 5.977007 0.000000\nNb Re Si\n3 3 3\ndirect\n0.499999 0.597786 0.000000 Nb\n0.499999 0.402211 0.402241 Nb\n0.499999 0.999970 0.597760 Nb\n0.000000 0.258732 0.000000 Re\n0.000000 0.741255 0.741272 Re\n0.000000 0.999983 0.258728 Re\n0.000000 0.333314 0.666672 Si\n0.000000 0.666641 0.333328 Si\n0.499999 0.000009 0.000000 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nb",
"Re",
"Si"
],
"chemical_system": "Nb-Re-Si",
"density": 11.13571261689988,
"density_atomic": 0.06548932945170943,
"volume": 137.4269682610879,
"volume_molar": 9.195606078759152,
"formula_full": "Nb3 Re3 Si3",
"formula_reduced": "NbReSi",
"formula_anonymous": "ABC",
"energy_above_hull": 4.463898666666667,
"spacegroup": 189
},
{
"id": "jvasp-66577",
"created_at": "2022-09-04T14:35:55.969798Z",
"updated_at": "2022-09-04T14:35:55.969821Z",
"structure_string": "Ba4 Ga1 Tc1\n1.0\n0.000000 4.790424 4.790424\n4.790424 0.000000 4.790424\n4.790424 4.790424 0.000000\nBa Ga Tc\n4 1 1\ndirect\n0.123607 0.625464 0.625464 Ba\n0.625464 0.625464 0.625464 Ba\n0.625464 0.123607 0.625464 Ba\n0.625464 0.625464 0.123607 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Tc"
],
"chemical_system": "Ba-Ga-Tc",
"density": 5.415457733983034,
"density_atomic": 0.02728973957763057,
"volume": 219.86285295731466,
"volume_molar": 22.067417473402184,
"formula_full": "Ba4 Ga1 Tc1",
"formula_reduced": "Ba4GaTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9289446174999998,
"spacegroup": 216
},
{
"id": "jvasp-67803",
"created_at": "2022-09-04T14:35:55.974422Z",
"updated_at": "2022-09-04T14:35:55.974437Z",
"structure_string": "Hf1 Be1 Ga1\n1.0\n-1.485378 1.485378 5.165700\n1.485378 -1.485378 5.165700\n1.485378 1.485378 -5.165700\nHf Be Ga\n1 1 1\ndirect\n0.656528 0.656528 0.000000 Hf\n0.985214 0.985214 0.000000 Be\n0.358258 0.358258 0.000000 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Hf",
"density": 9.369133646722767,
"density_atomic": 0.06580488100031544,
"volume": 45.58932338143153,
"volume_molar": 9.151510751871328,
"formula_full": "Hf1 Be1 Ga1",
"formula_reduced": "HfBeGa",
"formula_anonymous": "ABC",
"energy_above_hull": 2.015087141666667,
"spacegroup": 107
},
{
"id": "jvasp-105750",
"created_at": "2022-09-04T14:35:55.975228Z",
"updated_at": "2022-09-04T14:35:55.975252Z",
"structure_string": "Dy2 Zn1 Rh1\n1.0\n4.254505 -0.000000 2.456340\n1.418168 4.011186 2.456340\n-0.000000 -0.000000 4.912679\nDy Zn Rh\n2 1 1\ndirect\n0.750001 0.750001 0.749999 Dy\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Zn",
"Rh"
],
"chemical_system": "Dy-Rh-Zn",
"density": 9.770859116672563,
"density_atomic": 0.04771113678358596,
"volume": 83.83786825586847,
"volume_molar": 12.62208609137939,
"formula_full": "Dy2 Zn1 Rh1",
"formula_reduced": "Dy2ZnRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8692915999999999,
"spacegroup": 225
},
{
"id": "jvasp-28964",
"created_at": "2022-09-04T14:35:55.975600Z",
"updated_at": "2022-09-04T14:35:55.975619Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n3.257076 0.000000 0.000000\n-1.628537 2.820730 0.000121\n0.000000 0.001363 34.591484\nMo W Se S\n1 3 4 4\ndirect\n0.666750 0.333497 0.279313 Mo\n0.333439 0.666877 0.093265 W\n0.333310 0.666620 0.472039 W\n0.666503 0.333006 0.658301 W\n0.333390 0.666781 0.328414 Se\n0.666667 0.333332 0.422629 Se\n0.666618 0.333233 0.521433 Se\n0.333441 0.666883 0.230221 Se\n0.333144 0.666290 0.703180 S\n0.666799 0.333595 0.048386 S\n0.666752 0.333502 0.138190 S\n0.333189 0.666380 0.613377 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.7034561505033095,
"density_atomic": 0.03775918769689795,
"volume": 317.80344684125293,
"volume_molar": 15.948809090760019,
"formula_full": "Mo1 W3 Se4 S4",
"formula_reduced": "MoW3(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 4.303042447222222,
"spacegroup": 156
},
{
"id": "jvasp-15116",
"created_at": "2022-09-04T14:35:55.976487Z",
"updated_at": "2022-09-04T14:35:55.976502Z",
"structure_string": "Ho1 B2 Ru3\n1.0\n2.746330 -4.756783 -0.000000\n2.746330 4.756783 -0.000000\n0.000000 0.000000 3.033817\nHo B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"B",
"Ru"
],
"chemical_system": "B-Ho-Ru",
"density": 10.260039433592794,
"density_atomic": 0.0756947594828433,
"volume": 79.26572514389109,
"volume_molar": 7.955822570999724,
"formula_full": "Ho1 B2 Ru3",
"formula_reduced": "HoB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.333812038888889,
"spacegroup": 191
},
{
"id": "jvasp-71181",
"created_at": "2022-09-04T14:35:55.984616Z",
"updated_at": "2022-09-04T14:35:55.984633Z",
"structure_string": "Hf2 Be1 Ga1\n1.0\n3.028356 0.000000 0.000000\n-0.000000 3.028356 -0.000000\n0.000000 0.000000 7.416027\nHf Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.978273 Hf\n0.500001 0.500001 0.287573 Hf\n0.000000 0.000000 0.534118 Be\n0.500001 0.500001 0.700037 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Hf",
"density": 10.63816281342056,
"density_atomic": 0.05881320326575681,
"volume": 68.01193912063188,
"volume_molar": 10.239436768624895,
"formula_full": "Hf2 Be1 Ga1",
"formula_reduced": "Hf2BeGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.07310110625,
"spacegroup": 99
},
{
"id": "jvasp-15038",
"created_at": "2022-09-04T14:35:55.986590Z",
"updated_at": "2022-09-04T14:35:55.986616Z",
"structure_string": "Er1 Co5\n1.0\n2.431556 -4.211578 -0.000000\n2.431556 4.211578 -0.000000\n0.000000 0.000000 3.942531\nEr Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Er\n0.333334 0.666668 0.000000 Co\n0.666668 0.333334 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500001 0.500001 0.500000 Co\n0.500000 0.000000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Co"
],
"chemical_system": "Co-Er",
"density": 9.499184096188051,
"density_atomic": 0.07430482461204892,
"volume": 80.74845787371751,
"volume_molar": 8.104642991140953,
"formula_full": "Er1 Co5",
"formula_reduced": "ErCo5",
"formula_anonymous": "AB5",
"energy_above_hull": 3.2649257500000006,
"spacegroup": 191
},
{
"id": "jvasp-66459",
"created_at": "2022-09-04T14:35:55.989544Z",
"updated_at": "2022-09-04T14:35:55.989573Z",
"structure_string": "Ba1 Sb1 Pb1\n1.0\n0.000000 3.969900 3.969900\n3.969900 -0.000000 3.969900\n3.969900 3.969900 0.000000\nBa Sb Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pb"
],
"chemical_system": "Ba-Pb-Sb",
"density": 6.187763519455269,
"density_atomic": 0.023974665549305555,
"volume": 125.132089698198,
"volume_molar": 25.118768591849808,
"formula_full": "Ba1 Sb1 Pb1",
"formula_reduced": "BaSbPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4179942966666667,
"spacegroup": 216
},
{
"id": "jvasp-106041",
"created_at": "2022-09-04T14:35:55.991448Z",
"updated_at": "2022-09-04T14:35:55.991471Z",
"structure_string": "Li3 Mn1 As2\n1.0\n4.200725 0.000000 0.000000\n0.000000 4.200725 0.000000\n0.000000 0.000000 5.989156\nLi Mn As\n3 1 2\ndirect\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.499999 0.265910 As\n0.499999 0.000000 0.734091 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Mn",
"As"
],
"chemical_system": "As-Li-Mn",
"density": 3.544722454887257,
"density_atomic": 0.05677238276923596,
"volume": 105.68518894809014,
"volume_molar": 10.60751806820992,
"formula_full": "Li3 Mn1 As2",
"formula_reduced": "Li3MnAs2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.940198456896552,
"spacegroup": 115
}
]
}