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=created_at&page=1004",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1002",
"results": [
{
"id": "jvasp-12151",
"created_at": "2022-09-04T14:36:14.036322Z",
"updated_at": "2022-09-04T14:36:14.036336Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.561230 0.901376 5.973387\n-1.561230 0.901376 5.973387\n-0.000000 -1.802752 5.973387\nNi H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.556088 0.556088 0.556084 H\n0.443915 0.443915 0.443912 H\n0.610484 0.610484 0.610480 O\n0.389519 0.389519 0.389516 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.0522626559559063,
"density_atomic": 0.09913459192019755,
"volume": 50.436481385074494,
"volume_molar": 6.074711806800767,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.18031188,
"spacegroup": 166
},
{
"id": "jvasp-85957",
"created_at": "2022-09-04T14:36:14.039030Z",
"updated_at": "2022-09-04T14:36:14.039055Z",
"structure_string": "Ba1 Bi4 Cl2 O6\n1.0\n3.966970 0.000000 -0.501521\n-0.063405 3.966463 -0.501521\n0.018483 0.018781 16.086112\nBa Bi Cl O\n1 4 2 6\ndirect\n0.499999 0.500000 0.000000 Ba\n0.211045 0.211045 0.422089 Bi\n0.788953 0.788954 0.577910 Bi\n0.910735 0.910736 0.821474 Bi\n0.089263 0.089263 0.178526 Bi\n0.332854 0.332854 0.665710 Cl\n0.667144 0.667145 0.334290 Cl\n0.441318 0.941319 0.882639 O\n0.058679 0.558680 0.117360 O\n0.558680 0.058680 0.117361 O\n0.941319 0.441319 0.882639 O\n0.249999 0.749999 0.500000 O\n0.749999 0.250000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 7.477731279130345,
"density_atomic": 0.05134542305985946,
"volume": 253.18712409564444,
"volume_molar": 11.728680768642757,
"formula_full": "Ba1 Bi4 Cl2 O6",
"formula_reduced": "BaBi4(ClO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.5831471003846154,
"spacegroup": 139
},
{
"id": "jvasp-15679",
"created_at": "2022-09-04T14:36:14.040732Z",
"updated_at": "2022-09-04T14:36:14.040757Z",
"structure_string": "Yb1 Ni2 B2 C1\n1.0\n3.431964 -0.000000 -1.069368\n-0.333205 3.415751 -1.069368\n-0.139607 -0.153889 5.593805\nYb Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.249998 0.749999 0.500000 Ni\n0.749998 0.250000 0.500000 Ni\n0.354121 0.354122 0.708246 B\n0.645875 0.645877 0.291753 B\n0.499999 0.500000 -0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Yb",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Ni-Yb",
"density": 8.349946614881693,
"density_atomic": 0.0931024466877478,
"volume": 64.4451377322353,
"volume_molar": 6.468294845351803,
"formula_full": "Yb1 Ni2 B2 C1",
"formula_reduced": "YbNi2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.922006777777778,
"spacegroup": 139
},
{
"id": "jvasp-64043",
"created_at": "2022-09-04T14:36:14.042124Z",
"updated_at": "2022-09-04T14:36:14.042148Z",
"structure_string": "Ba4 Nb1 Tc1\n1.0\n-0.000000 4.855734 4.855734\n4.855734 0.000000 4.855734\n4.855734 4.855734 0.000000\nBa Nb Tc\n4 1 1\ndirect\n0.124139 0.625287 0.625287 Ba\n0.625287 0.625287 0.625287 Ba\n0.625287 0.124139 0.625287 Ba\n0.625287 0.625287 0.124139 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Tc"
],
"chemical_system": "Ba-Nb-Tc",
"density": 5.367993189608479,
"density_atomic": 0.026203336334305008,
"volume": 228.97847523885315,
"volume_molar": 22.982343481642467,
"formula_full": "Ba4 Nb1 Tc1",
"formula_reduced": "Ba4NbTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1057107966666666,
"spacegroup": 216
},
{
"id": "jvasp-62469",
"created_at": "2022-09-04T14:36:14.047784Z",
"updated_at": "2022-09-04T14:36:14.047812Z",
"structure_string": "Ti6 Al16 Rh7\n1.0\n-0.000000 6.069041 6.069041\n6.069041 -0.000000 6.069041\n6.069041 6.069041 0.000000\nTi Al Rh\n6 16 7\ndirect\n0.675729 0.324271 0.675729 Ti\n0.675729 0.324271 0.324271 Ti\n0.324271 0.675729 0.675729 Ti\n0.324271 0.324271 0.675729 Ti\n0.675729 0.675729 0.324271 Ti\n0.324271 0.675729 0.324271 Ti\n0.026319 0.657894 0.657894 Al\n0.657894 0.026319 0.657894 Al\n0.657894 0.657894 0.657894 Al\n0.973681 0.342106 0.342106 Al\n0.119967 0.640099 0.119967 Al\n0.342106 0.342106 0.342106 Al\n0.119967 0.119967 0.119967 Al\n0.119967 0.119967 0.640099 Al\n0.640099 0.119967 0.119967 Al\n0.880033 0.880033 0.880033 Al\n0.342106 0.342106 0.973681 Al\n0.657894 0.657894 0.026319 Al\n0.880033 0.359901 0.880033 Al\n0.880033 0.880033 0.359901 Al\n0.359901 0.880033 0.880033 Al\n0.342106 0.973681 0.342106 Al\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Rh"
],
"chemical_system": "Al-Rh-Ti",
"density": 5.34556546321804,
"density_atomic": 0.0648646065276834,
"volume": 447.0851139384182,
"volume_molar": 9.284170647716525,
"formula_full": "Ti6 Al16 Rh7",
"formula_reduced": "Ti6Al16Rh7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.0876033034482764,
"spacegroup": 225
},
{
"id": "jvasp-86750",
"created_at": "2022-09-04T14:36:14.052169Z",
"updated_at": "2022-09-04T14:36:14.052181Z",
"structure_string": "Dy1 Fe2 B2\n1.0\n3.408215 0.000000 -1.195704\n-0.419489 3.382302 -1.195704\n-0.046674 -0.052820 5.322175\nDy Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250001 0.750000 0.500000 Fe\n0.750002 0.250000 0.500001 Fe\n0.341087 0.341085 0.682171 B\n0.658916 0.658914 0.317830 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"B"
],
"chemical_system": "B-Dy-Fe",
"density": 8.062960972956354,
"density_atomic": 0.08207288064431079,
"volume": 60.921463469390176,
"volume_molar": 7.337552566357312,
"formula_full": "Dy1 Fe2 B2",
"formula_reduced": "Dy(FeB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.570902533333334,
"spacegroup": 139
},
{
"id": "jvasp-66436",
"created_at": "2022-09-04T14:36:14.060341Z",
"updated_at": "2022-09-04T14:36:14.060352Z",
"structure_string": "Ba4 V1 Co1\n1.0\n0.000000 4.936212 4.936212\n4.936212 -0.000000 4.936212\n4.936212 4.936212 -0.000000\nBa V Co\n4 1 1\ndirect\n0.125500 0.624833 0.624833 Ba\n0.624833 0.624833 0.624833 Ba\n0.624833 0.125500 0.624833 Ba\n0.624833 0.624833 0.125500 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Co"
],
"chemical_system": "Ba-Co-V",
"density": 4.550336236792213,
"density_atomic": 0.02494249215637666,
"volume": 240.5533481731926,
"volume_molar": 24.14410204980425,
"formula_full": "Ba4 V1 Co1",
"formula_reduced": "Ba4VCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4466081633333332,
"spacegroup": 216
},
{
"id": "jvasp-91828",
"created_at": "2022-09-04T14:36:14.064400Z",
"updated_at": "2022-09-04T14:36:14.064431Z",
"structure_string": "Mg6 Cu1 Ni1\n1.0\n5.898779 0.889508 0.000000\n-2.179053 5.553247 0.000000\n0.000000 0.000000 4.291586\nMg Cu Ni\n6 1 1\ndirect\n0.166383 0.932983 0.250000 Mg\n0.567018 0.333618 0.250000 Mg\n0.630692 0.869309 0.250000 Mg\n0.340389 0.576531 0.750001 Mg\n0.923470 0.159612 0.750001 Mg\n0.865735 0.634266 0.750001 Mg\n0.062610 0.437390 0.250000 Cu\n0.443707 0.056293 0.750001 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Ni"
],
"chemical_system": "Cu-Mg-Ni",
"density": 2.9895329418407948,
"density_atomic": 0.05372754425128342,
"volume": 148.8994167048478,
"volume_molar": 11.20866558098111,
"formula_full": "Mg6 Cu1 Ni1",
"formula_reduced": "Mg6CuNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-90863",
"created_at": "2022-09-04T14:36:14.067273Z",
"updated_at": "2022-09-04T14:36:14.067297Z",
"structure_string": "Nd4 Pt4\n1.0\n0.000000 4.599138 -0.000000\n0.000000 0.000000 5.740956\n7.352319 0.000000 0.000000\nNd Pt\n4 4\ndirect\n0.250000 0.358191 0.683140 Nd\n0.250000 0.141810 0.183140 Nd\n0.750000 0.641810 0.316860 Nd\n0.750000 0.858191 0.816860 Nd\n0.250000 0.843018 0.545188 Pt\n0.250000 0.656983 0.045188 Pt\n0.750000 0.156983 0.454812 Pt\n0.750000 0.343018 0.954812 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Pt"
],
"chemical_system": "Nd-Pt",
"density": 11.610240746317992,
"density_atomic": 0.041210225008385296,
"volume": 194.12657898306043,
"volume_molar": 14.613219798665595,
"formula_full": "Nd4 Pt4",
"formula_reduced": "NdPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.80727145,
"spacegroup": 62
},
{
"id": "jvasp-88787",
"created_at": "2022-09-04T14:36:14.068346Z",
"updated_at": "2022-09-04T14:36:14.068368Z",
"structure_string": "K2 Sb2 O4\n1.0\n5.250609 0.037938 -2.224746\n-2.549755 5.017495 -0.197958\n-0.043883 0.044069 5.631326\nK Sb O\n2 2 4\ndirect\n0.250000 0.632375 0.367626 K\n0.750000 0.367627 0.632374 K\n0.750000 0.898055 0.101945 Sb\n0.250001 0.101946 0.898055 Sb\n0.218997 0.127253 0.238758 O\n0.281004 0.761243 0.872748 O\n0.718997 0.238759 0.127252 O\n0.781004 0.872749 0.761242 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sb",
"O"
],
"chemical_system": "K-O-Sb",
"density": 4.307062101984822,
"density_atomic": 0.053796794101285565,
"volume": 148.70774613331145,
"volume_molar": 11.194237241464341,
"formula_full": "K2 Sb2 O4",
"formula_reduced": "KSbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.952045275,
"spacegroup": 15
},
{
"id": "jvasp-66182",
"created_at": "2022-09-04T14:36:14.071110Z",
"updated_at": "2022-09-04T14:36:14.071132Z",
"structure_string": "K1 Ba1 Cu1\n1.0\n0.000000 3.877859 3.877859\n3.877859 -0.000000 3.877859\n3.877859 3.877859 -0.000000\nK Ba Cu\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cu"
],
"chemical_system": "Ba-Cu-K",
"density": 3.4166647270766464,
"density_atomic": 0.025722620900865707,
"volume": 116.6288618707215,
"volume_molar": 23.411847428802727,
"formula_full": "K1 Ba1 Cu1",
"formula_reduced": "KBaCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-63995",
"created_at": "2022-09-04T14:36:14.071746Z",
"updated_at": "2022-09-04T14:36:14.071776Z",
"structure_string": "Ba4 Hf1 Ga1\n1.0\n0.000000 4.969229 4.969229\n4.969229 0.000000 4.969229\n4.969229 4.969229 -0.000000\nBa Hf Ga\n4 1 1\ndirect\n0.125475 0.624841 0.624841 Ba\n0.624841 0.624841 0.624841 Ba\n0.624841 0.125475 0.624841 Ba\n0.624841 0.624841 0.125475 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ga"
],
"chemical_system": "Ba-Ga-Hf",
"density": 5.396276521833385,
"density_atomic": 0.02444861274293279,
"volume": 245.41269736191404,
"volume_molar": 24.63183013007879,
"formula_full": "Ba4 Hf1 Ga1",
"formula_reduced": "Ba4HfGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8863665341666664,
"spacegroup": 216
}
]
}