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=944",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=942",
"results": [
{
"id": "jvasp-65627",
"created_at": "2022-09-04T14:36:11.976303Z",
"updated_at": "2022-09-04T14:36:11.976327Z",
"structure_string": "Ba1 Pt1 Br2\n1.0\n5.030458 0.000000 0.000000\n0.000000 5.030458 0.000000\n0.000000 0.000000 4.225232\nBa Pt Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Pt",
"Br"
],
"chemical_system": "Ba-Br-Pt",
"density": 7.644372759292055,
"density_atomic": 0.03741057439414182,
"volume": 106.92164086703694,
"volume_molar": 16.09742928978662,
"formula_full": "Ba1 Pt1 Br2",
"formula_reduced": "BaPtBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.337986395,
"spacegroup": 123
},
{
"id": "jvasp-90891",
"created_at": "2022-09-04T14:36:11.983683Z",
"updated_at": "2022-09-04T14:36:11.983707Z",
"structure_string": "Dy2 Fe2 Ge4\n1.0\n0.000000 -0.000000 -4.207619\n-4.135817 0.000000 -0.000000\n2.067908 8.284097 0.000000\nDy Fe Ge\n2 2 4\ndirect\n0.750000 0.109080 0.218159 Dy\n0.250000 0.890921 0.781841 Dy\n0.750000 0.318707 0.637415 Fe\n0.250000 0.681293 0.362586 Fe\n0.750000 0.454896 0.909792 Ge\n0.250000 0.545105 0.090209 Ge\n0.750000 0.748989 0.497975 Ge\n0.250000 0.251012 0.502025 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"Ge"
],
"chemical_system": "Dy-Fe-Ge",
"density": 8.377027291448323,
"density_atomic": 0.05549413546031981,
"volume": 144.15937708805774,
"volume_molar": 10.851850758727533,
"formula_full": "Dy2 Fe2 Ge4",
"formula_reduced": "DyFeGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4876784749999996,
"spacegroup": 63
},
{
"id": "jvasp-105756",
"created_at": "2022-09-04T14:36:11.993137Z",
"updated_at": "2022-09-04T14:36:11.993156Z",
"structure_string": "Er1 Tm1 Tl2\n1.0\n4.578203 -0.000000 2.643227\n1.526068 4.316371 2.643227\n0.000000 0.000000 5.286454\nEr Tm Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tm",
"Tl"
],
"chemical_system": "Er-Tl-Tm",
"density": 11.841416906609277,
"density_atomic": 0.038289678705802015,
"volume": 104.46679458278876,
"volume_molar": 15.727843543088985,
"formula_full": "Er1 Tm1 Tl2",
"formula_reduced": "ErTmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2794448625,
"spacegroup": 225
},
{
"id": "jvasp-14701",
"created_at": "2022-09-04T14:36:11.993946Z",
"updated_at": "2022-09-04T14:36:11.993973Z",
"structure_string": "U2 P4\n1.0\n3.806077 0.000000 -0.000000\n0.000000 3.806077 0.000000\n0.000000 0.000000 7.797771\nU P\n2 4\ndirect\n0.000000 0.500000 0.281845 U\n0.500000 0.000000 0.718155 U\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.000000 0.500000 0.641102 P\n0.500000 0.000000 0.358898 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"P"
],
"chemical_system": "P-U",
"density": 8.819431956977317,
"density_atomic": 0.05311603312796963,
"volume": 112.9602428243186,
"volume_molar": 11.337708042863776,
"formula_full": "U2 P4",
"formula_reduced": "UP2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2427756666666667,
"spacegroup": 129
},
{
"id": "jvasp-64125",
"created_at": "2022-09-04T14:36:12.004176Z",
"updated_at": "2022-09-04T14:36:12.004195Z",
"structure_string": "Ba4 V1 Sb1\n1.0\n0.000000 4.925437 4.925437\n4.925437 0.000000 4.925437\n4.925437 4.925437 0.000000\nBa V Sb\n4 1 1\ndirect\n0.126715 0.624428 0.624428 Ba\n0.624428 0.624428 0.624428 Ba\n0.624428 0.126715 0.624428 Ba\n0.624428 0.624428 0.126715 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Sb"
],
"chemical_system": "Ba-Sb-V",
"density": 5.0168106331476885,
"density_atomic": 0.02510654483869315,
"volume": 238.98151014205078,
"volume_molar": 23.986338218546624,
"formula_full": "Ba4 V1 Sb1",
"formula_reduced": "Ba4VSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0583256966666668,
"spacegroup": 216
},
{
"id": "jvasp-91244",
"created_at": "2022-09-04T14:36:12.005235Z",
"updated_at": "2022-09-04T14:36:12.005266Z",
"structure_string": "U4 F20\n1.0\n5.492859 -0.000000 1.763102\n2.746430 8.219682 0.881551\n0.234308 -0.000000 8.707943\nU F\n4 20\ndirect\n0.196534 0.178466 0.678465 U\n0.625000 0.321534 0.178466 U\n0.053466 0.821534 0.321534 U\n0.125000 0.678466 0.821534 U\n0.375228 0.888180 0.227656 F\n0.397115 0.227657 0.111820 F\n0.736593 0.772343 0.888179 F\n0.491066 0.111820 0.772343 F\n0.130951 0.445044 0.716743 F\n0.292738 0.554956 0.283257 F\n0.424006 0.283257 0.445043 F\n0.152307 0.716743 0.554956 F\n0.513408 0.611820 0.727656 F\n0.119049 0.783257 0.054956 F\n0.097694 0.945044 0.783257 F\n0.877476 0.997525 0.497524 F\n0.625000 0.497525 0.002475 F\n0.125000 0.502475 0.997524 F\n0.372525 0.002475 0.502475 F\n0.758935 0.727656 0.388180 F\n0.874773 0.272343 0.611819 F\n0.852885 0.388180 0.272343 F\n0.957263 0.216743 0.945043 F\n0.825995 0.054956 0.216743 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"U",
"F"
],
"chemical_system": "F-U",
"density": 5.675168418213154,
"density_atomic": 0.061575703617490186,
"volume": 389.7641210742568,
"volume_molar": 9.780060001278573,
"formula_full": "U4 F20",
"formula_reduced": "UF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3701029020833331,
"spacegroup": 122
},
{
"id": "jvasp-91256",
"created_at": "2022-09-04T14:36:12.007244Z",
"updated_at": "2022-09-04T14:36:12.007265Z",
"structure_string": "Ba1 Pr2 Ni1 O5\n1.0\n3.686607 -0.000025 -1.076480\n-0.764082 5.348747 -2.616488\n0.022090 0.022501 6.926289\nBa Pr Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.201345 0.701346 0.402689 Pr\n0.798657 0.298656 0.597311 Pr\n0.500001 0.500001 0.000000 Ni\n1.000000 0.500001 0.000001 O\n0.356669 0.599727 0.713323 O\n0.643333 0.400274 0.286677 O\n0.643347 0.886408 0.286679 O\n0.356654 0.113593 0.713321 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Pr",
"density": 6.764287278673309,
"density_atomic": 0.06572210831776766,
"volume": 136.94022042757402,
"volume_molar": 9.1630364791142,
"formula_full": "Ba1 Pr2 Ni1 O5",
"formula_reduced": "BaPr2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.8254550633333333,
"spacegroup": 71
},
{
"id": "jvasp-75829",
"created_at": "2022-09-04T14:36:12.007416Z",
"updated_at": "2022-09-04T14:36:12.007435Z",
"structure_string": "Be1 Sn1 As1\n1.0\n0.000000 3.114701 3.114701\n3.114701 -0.000000 3.114701\n3.114701 3.114701 0.000000\nBe Sn As\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Sn",
"As"
],
"chemical_system": "As-Be-Sn",
"density": 5.568052187519754,
"density_atomic": 0.04964118866058917,
"volume": 60.43368583520124,
"volume_molar": 12.131338758173333,
"formula_full": "Be1 Sn1 As1",
"formula_reduced": "BeSnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4588898500000005,
"spacegroup": 216
},
{
"id": "jvasp-64769",
"created_at": "2022-09-04T14:36:12.009066Z",
"updated_at": "2022-09-04T14:36:12.009091Z",
"structure_string": "K1 Ba4 Os1\n1.0\n0.000000 4.970795 4.970795\n4.970795 -0.000000 4.970795\n4.970795 4.970795 0.000000\nK Ba Os\n1 4 1\ndirect\n0.250000 0.250000 0.250000 K\n0.117664 0.627446 0.627446 Ba\n0.627446 0.627446 0.627446 Ba\n0.627446 0.117664 0.627446 Ba\n0.627446 0.627446 0.117664 Ba\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ba",
"Os"
],
"chemical_system": "Ba-K-Os",
"density": 5.263518939717019,
"density_atomic": 0.024425513137922704,
"volume": 245.64478814099039,
"volume_molar": 24.65512485242371,
"formula_full": "K1 Ba4 Os1",
"formula_reduced": "KBa4Os",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9357561466666666,
"spacegroup": 216
},
{
"id": "jvasp-48713",
"created_at": "2022-09-04T14:36:12.009741Z",
"updated_at": "2022-09-04T14:36:12.009753Z",
"structure_string": "V4 O4 F12\n1.0\n4.600127 0.000000 0.000000\n0.000000 4.845647 0.000000\n0.000000 0.000000 12.603533\nV O F\n4 4 12\ndirect\n0.500000 0.000000 0.116902 V\n0.000000 0.000000 0.920675 V\n0.500000 0.500000 0.616902 V\n0.000000 0.500000 0.420675 V\n0.753750 0.147945 0.039253 O\n0.753750 0.352055 0.539253 O\n0.246250 0.647945 0.539253 O\n0.246250 0.852056 0.039253 O\n0.779392 0.702771 0.937911 F\n0.779392 0.797229 0.437911 F\n0.683869 0.747189 0.691308 F\n0.221830 0.669338 0.328960 F\n0.778171 0.330663 0.328960 F\n0.316131 0.247189 0.191308 F\n0.220609 0.202771 0.437911 F\n0.220609 0.297229 0.937911 F\n0.683869 0.752812 0.191308 F\n0.778171 0.169338 0.828960 F\n0.316131 0.252812 0.691308 F\n0.221830 0.830663 0.828960 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.9301715707944163,
"density_atomic": 0.07118952544711928,
"volume": 280.9402067844422,
"volume_molar": 8.459307351997088,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8157697094999998,
"spacegroup": 30
},
{
"id": "jvasp-92193",
"created_at": "2022-09-04T14:36:12.014887Z",
"updated_at": "2022-09-04T14:36:12.014912Z",
"structure_string": "Rb1 Y1 Mg6\n1.0\n7.019341 -0.000253 0.000000\n-3.509889 6.078801 0.000000\n0.000000 0.000000 5.339966\nRb Y Mg\n1 1 6\ndirect\n0.416651 0.083349 0.750001 Rb\n0.083334 0.416666 0.250000 Y\n0.049730 0.899867 0.250000 Mg\n0.600132 0.450270 0.250000 Mg\n0.600170 0.899830 0.250000 Mg\n0.414207 0.582159 0.750001 Mg\n0.917841 0.085793 0.750001 Mg\n0.917933 0.582068 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Y",
"Mg"
],
"chemical_system": "Mg-Rb-Y",
"density": 2.3336281496286735,
"density_atomic": 0.03511124799088026,
"volume": 227.84721300928717,
"volume_molar": 17.151599856445383,
"formula_full": "Rb1 Y1 Mg6",
"formula_reduced": "RbYMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-93247",
"created_at": "2022-09-04T14:36:12.016582Z",
"updated_at": "2022-09-04T14:36:12.016602Z",
"structure_string": "Pr3 Al1 N1\n1.0\n5.042133 0.000000 -0.000000\n0.000000 5.042133 0.000000\n-0.000000 0.000000 5.042133\nPr Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Al",
"N"
],
"chemical_system": "Al-N-Pr",
"density": 6.006946731671388,
"density_atomic": 0.0390056134699531,
"volume": 128.18667763940215,
"volume_molar": 15.439164326024487,
"formula_full": "Pr3 Al1 N1",
"formula_reduced": "Pr3AlN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.37785912,
"spacegroup": 221
}
]
}