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=387",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=385",
"results": [
{
"id": "jvasp-66424",
"created_at": "2022-09-04T14:35:58.831650Z",
"updated_at": "2022-09-04T14:35:58.831678Z",
"structure_string": "Ba4 Ti1 Rh1\n1.0\n0.000000 4.845633 4.845633\n4.845633 0.000000 4.845633\n4.845633 4.845633 -0.000000\nBa Ti Rh\n4 1 1\ndirect\n0.126968 0.624344 0.624344 Ba\n0.624344 0.624344 0.624344 Ba\n0.624344 0.126968 0.624344 Ba\n0.624344 0.624344 0.126968 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Rh"
],
"chemical_system": "Ba-Rh-Ti",
"density": 5.108760317909315,
"density_atomic": 0.026367545235884332,
"volume": 227.55246824548655,
"volume_molar": 22.839216567662508,
"formula_full": "Ba4 Ti1 Rh1",
"formula_reduced": "Ba4TiRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2384142022222222,
"spacegroup": 216
},
{
"id": "jvasp-66380",
"created_at": "2022-09-04T14:35:58.600050Z",
"updated_at": "2022-09-04T14:35:58.600071Z",
"structure_string": "Ba4 Fe1 Re1\n1.0\n-0.000000 4.731018 4.731018\n4.731018 -0.000000 4.731018\n4.731018 4.731018 -0.000000\nBa Fe Re\n4 1 1\ndirect\n0.124567 0.625145 0.625145 Ba\n0.625145 0.625145 0.625145 Ba\n0.625145 0.124567 0.625145 Ba\n0.625145 0.625145 0.124567 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Re"
],
"chemical_system": "Ba-Fe-Re",
"density": 6.204822971900289,
"density_atomic": 0.028330709669868125,
"volume": 211.78431708618504,
"volume_molar": 21.256582804224657,
"formula_full": "Ba4 Fe1 Re1",
"formula_reduced": "Ba4FeRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0429262299999995,
"spacegroup": 216
},
{
"id": "jvasp-65302",
"created_at": "2022-09-04T14:35:49.911471Z",
"updated_at": "2022-09-04T14:35:49.911509Z",
"structure_string": "Be1 Zn1 Pt4\n1.0\n-0.000000 3.698768 3.698768\n3.698768 -0.000000 3.698768\n3.698768 3.698768 -0.000000\nBe Zn Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124770 0.625077 0.625077 Pt\n0.625077 0.625077 0.625077 Pt\n0.625077 0.124770 0.625077 Pt\n0.625077 0.625077 0.124770 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Pt"
],
"chemical_system": "Be-Pt-Zn",
"density": 14.024603292383855,
"density_atomic": 0.05928570377949648,
"volume": 101.20483721195286,
"volume_molar": 10.157829588054435,
"formula_full": "Be1 Zn1 Pt4",
"formula_reduced": "BeZnPt4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0267020166666665,
"spacegroup": 216
},
{
"id": "jvasp-98556",
"created_at": "2022-09-04T14:35:50.722114Z",
"updated_at": "2022-09-04T14:35:50.722141Z",
"structure_string": "Fe4 Mo4 O16\n1.0\n6.089005 -0.053950 1.939029\n-0.052944 6.089014 1.939029\n-0.039710 -0.039703 7.706645\nFe Mo O\n4 4 16\ndirect\n0.314249 0.314249 0.842633 Fe\n0.685752 0.685751 0.157366 Fe\n0.305959 0.694042 0.500000 Fe\n0.694043 0.305958 0.500000 Fe\n0.710884 0.710883 0.640976 Mo\n0.289118 0.289117 0.359023 Mo\n0.721530 0.278471 -0.000000 Mo\n0.278472 0.721528 0.000000 Mo\n0.343630 0.640880 0.763300 O\n0.318865 0.003774 0.418179 O\n-0.008719 0.685695 0.084642 O\n0.003774 0.318865 0.418179 O\n0.345324 0.345323 0.080923 O\n0.657688 0.657686 0.425607 O\n0.008720 0.314305 0.915357 O\n0.314305 0.008720 0.915357 O\n0.342314 0.342314 0.574392 O\n0.654678 0.654677 0.919076 O\n0.640881 0.343629 0.763300 O\n0.359120 0.656371 0.236699 O\n0.996227 0.681135 0.581820 O\n0.656372 0.359119 0.236699 O\n0.681136 0.996225 0.581821 O\n0.685696 -0.008720 0.084642 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O",
"density": 4.99994189853357,
"density_atomic": 0.08372413878189332,
"volume": 286.65568077709963,
"volume_molar": 7.192836913722168,
"formula_full": "Fe4 Mo4 O16",
"formula_reduced": "FeMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2217375666666666,
"spacegroup": 12
},
{
"id": "jvasp-66495",
"created_at": "2022-09-04T14:35:58.678610Z",
"updated_at": "2022-09-04T14:35:58.678645Z",
"structure_string": "Ba4 Pb1 W1\n1.0\n-0.000000 4.924169 4.924169\n4.924169 0.000000 4.924169\n4.924169 4.924169 -0.000000\nBa Pb W\n4 1 1\ndirect\n0.125305 0.624898 0.624898 Ba\n0.624898 0.624898 0.624898 Ba\n0.624898 0.125305 0.624898 Ba\n0.624898 0.624898 0.125305 Ba\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"W"
],
"chemical_system": "Ba-Pb-W",
"density": 6.538962666851239,
"density_atomic": 0.025125945044454732,
"volume": 238.79698810867984,
"volume_molar": 23.967817924241935,
"formula_full": "Ba4 Pb1 W1",
"formula_reduced": "Ba4PbW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4999424499999998,
"spacegroup": 216
},
{
"id": "jvasp-50370",
"created_at": "2022-09-04T14:35:50.719570Z",
"updated_at": "2022-09-04T14:35:50.719580Z",
"structure_string": "Ba2 Sr2 I8\n1.0\n6.251506 0.000000 -0.000000\n-3.125754 11.494456 0.000000\n-0.000000 0.000000 8.068124\nBa Sr I\n2 2 8\ndirect\n0.180738 0.361473 0.913267 Ba\n0.819264 0.638527 0.413267 Ba\n0.412364 0.824728 0.994346 Sr\n0.587638 0.175272 0.494346 Sr\n0.111683 0.223366 0.514350 I\n0.453607 0.907212 0.382920 I\n0.317880 0.635757 0.691237 I\n0.288855 0.577707 0.213586 I\n0.888319 0.776634 0.014350 I\n0.711146 0.422294 0.713586 I\n0.546394 0.092788 0.882920 I\n0.682122 0.364243 0.191237 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 4.1964258011094975,
"density_atomic": 0.020698344320227668,
"volume": 579.7565164800586,
"volume_molar": 29.094794573084773,
"formula_full": "Ba2 Sr2 I8",
"formula_reduced": "BaSrI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0104749999999999,
"spacegroup": 36
},
{
"id": "jvasp-64900",
"created_at": "2022-09-04T14:35:53.937849Z",
"updated_at": "2022-09-04T14:35:53.937874Z",
"structure_string": "Be1 P4 Pb1\n1.0\n-0.000000 4.013913 4.013913\n4.013913 0.000000 4.013913\n4.013913 4.013913 -0.000000\nBe P Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.350494 0.350494 0.350494 P\n0.350494 0.948517 0.350494 P\n0.350494 0.350494 0.948517 P\n0.948517 0.350494 0.350494 P\n0.749999 0.749999 0.749999 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"P",
"Pb"
],
"chemical_system": "Be-P-Pb",
"density": 4.366476234867,
"density_atomic": 0.04638925409609976,
"volume": 129.34029910397845,
"volume_molar": 12.98175811907767,
"formula_full": "Be1 P4 Pb1",
"formula_reduced": "BeP4Pb",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.71045982,
"spacegroup": 216
},
{
"id": "jvasp-64544",
"created_at": "2022-09-04T14:35:56.793681Z",
"updated_at": "2022-09-04T14:35:56.793708Z",
"structure_string": "Ba4 Zn1 Te1\n1.0\n-0.000000 5.043025 5.043025\n5.043025 0.000000 5.043025\n5.043025 5.043025 0.000000\nBa Zn Te\n4 1 1\ndirect\n0.128550 0.623817 0.623817 Ba\n0.623817 0.623817 0.623817 Ba\n0.623817 0.128550 0.623817 Ba\n0.623817 0.623817 0.128550 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Te"
],
"chemical_system": "Ba-Te-Zn",
"density": 4.805461974386776,
"density_atomic": 0.023390951658053452,
"volume": 256.5094438102613,
"volume_molar": 25.74559961491174,
"formula_full": "Ba4 Zn1 Te1",
"formula_reduced": "Ba4ZnTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-44293",
"created_at": "2022-09-04T14:35:56.696726Z",
"updated_at": "2022-09-04T14:35:56.696751Z",
"structure_string": "Tb2 Nb2 O8\n1.0\n5.160119 0.257375 -0.002855\n0.277811 5.368371 -0.002470\n0.002759 0.002376 5.476723\nTb Nb O\n2 2 8\ndirect\n0.999998 0.741927 0.741308 Tb\n1.000001 0.241921 0.258638 Tb\n0.499993 0.741931 0.203739 Nb\n0.500002 0.241918 0.796206 Nb\n0.737238 0.972661 0.058136 O\n0.251901 0.897030 0.423880 O\n0.748119 0.586826 0.423864 O\n0.262756 0.511187 0.058141 O\n0.251890 0.397030 0.576074 O\n0.737236 0.472664 0.941802 O\n0.748111 0.086828 0.576074 O\n0.262757 0.011189 0.941812 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Nb",
"O"
],
"chemical_system": "Nb-O-Tb",
"density": 6.931556519393482,
"density_atomic": 0.07930132846137242,
"volume": 151.32155075870116,
"volume_molar": 7.59399732241986,
"formula_full": "Tb2 Nb2 O8",
"formula_reduced": "TbNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5063636333333337,
"spacegroup": 13
},
{
"id": "jvasp-64803",
"created_at": "2022-09-04T14:35:56.805885Z",
"updated_at": "2022-09-04T14:35:56.805913Z",
"structure_string": "Ba4 Co1 Cl1\n1.0\n0.000000 4.929847 4.929847\n4.929847 -0.000000 4.929847\n4.929847 4.929847 -0.000000\nBa Co Cl\n4 1 1\ndirect\n0.124116 0.625295 0.625295 Ba\n0.625295 0.625295 0.625295 Ba\n0.625295 0.124116 0.625295 Ba\n0.625295 0.625295 0.124116 Ba\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Cl"
],
"chemical_system": "Ba-Cl-Co",
"density": 4.460652293914821,
"density_atomic": 0.025039227832081148,
"volume": 239.62400279423102,
"volume_molar": 24.050824571691543,
"formula_full": "Ba4 Co1 Cl1",
"formula_reduced": "Ba4CoCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5408131412499999,
"spacegroup": 216
},
{
"id": "jvasp-74449",
"created_at": "2022-09-04T14:36:00.442306Z",
"updated_at": "2022-09-04T14:36:00.442338Z",
"structure_string": "Be1 Cu4 Tc1\n1.0\n-0.000000 3.343703 3.343703\n3.343703 -0.000000 3.343703\n3.343703 3.343703 -0.000000\nBe Cu Tc\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374813 0.374813 0.374813 Cu\n0.374813 0.875558 0.374813 Cu\n0.374813 0.374813 0.875558 Cu\n0.875558 0.374813 0.374813 Cu\n0.749999 0.749999 0.749999 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Tc"
],
"chemical_system": "Be-Cu-Tc",
"density": 8.021935546376643,
"density_atomic": 0.08024873038877627,
"volume": 74.76753801502099,
"volume_molar": 7.504343970085123,
"formula_full": "Be1 Cu4 Tc1",
"formula_reduced": "BeCu4Tc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1046382333333338,
"spacegroup": 216
},
{
"id": "jvasp-66533",
"created_at": "2022-09-04T14:35:56.667782Z",
"updated_at": "2022-09-04T14:35:56.667802Z",
"structure_string": "Ba4 Tc1 Sn1\n1.0\n-0.000000 4.814776 4.814776\n4.814776 -0.000000 4.814776\n4.814776 4.814776 0.000000\nBa Tc Sn\n4 1 1\ndirect\n0.124152 0.625284 0.625284 Ba\n0.625284 0.625284 0.625284 Ba\n0.625284 0.124152 0.625284 Ba\n0.625284 0.625284 0.124152 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tc",
"Sn"
],
"chemical_system": "Ba-Sn-Tc",
"density": 5.698096704144464,
"density_atomic": 0.026877755166308217,
"volume": 223.23292860116217,
"volume_molar": 22.40566863838714,
"formula_full": "Ba4 Tc1 Sn1",
"formula_reduced": "Ba4TcSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0613978466666665,
"spacegroup": 216
}
]
}