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=-volume&page=4023",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=4021",
"results": [
{
"id": "jvasp-103222",
"created_at": "2022-09-04T14:36:50.090602Z",
"updated_at": "2022-09-04T14:36:50.090633Z",
"structure_string": "Ac1 Al1 O3\n1.0\n3.880131 0.000000 0.000000\n0.000000 3.880131 -0.000000\n-0.000000 0.000000 3.880131\nAc Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ac",
"Al",
"O"
],
"chemical_system": "Ac-Al-O",
"density": 8.583961026837223,
"density_atomic": 0.08559153974946877,
"volume": 58.416988578956285,
"volume_molar": 7.035906559955742,
"formula_full": "Ac1 Al1 O3",
"formula_reduced": "AcAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.33915266,
"spacegroup": 221
},
{
"id": "jvasp-118712",
"created_at": "2022-09-04T14:38:46.712607Z",
"updated_at": "2022-09-04T14:38:46.712639Z",
"structure_string": "Mg1 Sn1 O1\n1.0\n4.577787 0.000000 0.000000\n-2.288893 3.964480 0.000000\n0.000000 -0.000000 3.217934\nMg Sn O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.521334173747751,
"density_atomic": 0.051369141713046185,
"volume": 58.4008200245653,
"volume_molar": 11.723265289578631,
"formula_full": "Mg1 Sn1 O1",
"formula_reduced": "MgSnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5493680833333335,
"spacegroup": 187
},
{
"id": "jvasp-16737",
"created_at": "2022-09-04T14:37:58.491160Z",
"updated_at": "2022-09-04T14:37:58.491174Z",
"structure_string": "Rb1 O2\n1.0\n3.639131 0.000000 -1.880637\n-0.971879 3.506955 -1.880637\n0.033612 0.044193 4.526315\nRb O\n1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.402638 0.402637 0.805274 O\n0.597361 0.597360 0.194722 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"O"
],
"chemical_system": "O-Rb",
"density": 3.341694129440105,
"density_atomic": 0.051395424140926314,
"volume": 58.370955199707986,
"volume_molar": 11.717270283609846,
"formula_full": "Rb1 O2",
"formula_reduced": "RbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9312200833333332,
"spacegroup": 139
},
{
"id": "jvasp-17321",
"created_at": "2022-09-04T14:38:28.778989Z",
"updated_at": "2022-09-04T14:38:28.779015Z",
"structure_string": "Fe2 B4 Mo1\n1.0\n2.908679 0.000000 -0.663594\n-0.165640 3.023537 -0.726040\n-0.014551 -0.009165 6.642715\nFe B Mo\n2 4 1\ndirect\n0.815760 0.815761 0.631521 Fe\n0.184241 0.184241 0.368480 Fe\n0.925326 0.425327 0.850652 B\n0.074675 0.574676 0.149350 B\n0.347821 0.347822 0.695643 B\n0.652180 0.652180 0.304359 B\n0.500000 0.000000 0.000000 Mo\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Fe",
"B",
"Mo"
],
"chemical_system": "B-Fe-Mo",
"density": 7.1370151549364875,
"density_atomic": 0.11992504970181693,
"volume": 58.36979027655092,
"volume_molar": 5.0215870453867,
"formula_full": "Fe2 B4 Mo1",
"formula_reduced": "Fe2B4Mo",
"formula_anonymous": "AB2C4",
"energy_above_hull": 4.962166747619048,
"spacegroup": 71
},
{
"id": "jvasp-18867",
"created_at": "2022-09-04T14:37:03.874611Z",
"updated_at": "2022-09-04T14:37:03.874628Z",
"structure_string": "Ti1 Sb1 Ru1\n1.0\n3.770755 -0.000000 2.177047\n1.256919 3.555102 2.177047\n-0.000000 -0.000000 4.354092\nTi Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Ti",
"density": 7.701131827753602,
"density_atomic": 0.05139765113105273,
"volume": 58.3684260658266,
"volume_molar": 11.716762590268694,
"formula_full": "Ti1 Sb1 Ru1",
"formula_reduced": "TiSbRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.800348311111112,
"spacegroup": 216
},
{
"id": "jvasp-70653",
"created_at": "2022-09-04T14:36:11.212223Z",
"updated_at": "2022-09-04T14:36:11.212236Z",
"structure_string": "Be2 Bi1 Ru1\n1.0\n-1.946989 1.946989 3.849281\n1.946989 -1.946989 3.849281\n1.946989 1.946989 -3.849281\nBe Bi Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.750000 0.500000 Bi\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Ru"
],
"chemical_system": "Be-Bi-Ru",
"density": 9.333731842037771,
"density_atomic": 0.0685319971618057,
"volume": 58.366896714769645,
"volume_molar": 8.78734169351811,
"formula_full": "Be2 Bi1 Ru1",
"formula_reduced": "Be2BiRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.39754925,
"spacegroup": 139
},
{
"id": "jvasp-67710",
"created_at": "2022-09-04T14:36:04.818150Z",
"updated_at": "2022-09-04T14:36:04.818173Z",
"structure_string": "Sc1 Be1 Zn2\n1.0\n-2.176953 2.176953 3.078802\n2.176953 -2.176953 3.078802\n2.176953 2.176953 -3.078802\nSc Be Zn\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Sc\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.499999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Zn"
],
"chemical_system": "Be-Sc-Zn",
"density": 5.257490855521089,
"density_atomic": 0.06853621785479662,
"volume": 58.3633022831016,
"volume_molar": 8.786800539181682,
"formula_full": "Sc1 Be1 Zn2",
"formula_reduced": "ScBeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2824080374999998,
"spacegroup": 216
},
{
"id": "jvasp-71660",
"created_at": "2022-09-04T14:36:09.780546Z",
"updated_at": "2022-09-04T14:36:09.780571Z",
"structure_string": "Li2 Be1 Nb1\n1.0\n-1.766011 1.766011 4.678170\n1.766011 -1.766011 4.678170\n1.766011 1.766011 -4.678170\nLi Be Nb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Nb"
],
"chemical_system": "Be-Li-Nb",
"density": 3.294859992301894,
"density_atomic": 0.06853890973341402,
"volume": 58.36101005338759,
"volume_molar": 8.78645543593188,
"formula_full": "Li2 Be1 Nb1",
"formula_reduced": "Li2BeNb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.297763875,
"spacegroup": 139
},
{
"id": "jvasp-120322",
"created_at": "2022-09-04T14:38:47.721237Z",
"updated_at": "2022-09-04T14:38:47.721263Z",
"structure_string": "Mg2 C1\n1.0\n3.348853 0.000000 0.000000\n0.000000 3.003745 0.000000\n0.000000 0.000000 5.801460\nMg C\n2 1\ndirect\n-0.033329 0.000000 0.763673 Mg\n-0.033329 0.000000 0.236327 Mg\n0.466657 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 1.7249384260996106,
"density_atomic": 0.05140730150539925,
"volume": 58.357468922676546,
"volume_molar": 11.714563074989458,
"formula_full": "Mg2 C1",
"formula_reduced": "Mg2C",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5660993666666665,
"spacegroup": 47
},
{
"id": "jvasp-103320",
"created_at": "2022-09-04T14:36:38.322410Z",
"updated_at": "2022-09-04T14:36:38.322431Z",
"structure_string": "Ti1 Al1 Ir2\n1.0\n3.770483 -0.000000 2.176889\n1.256827 3.554846 2.176889\n-0.000000 -0.000000 4.353779\nTi Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500000 Al\n0.750000 0.750001 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Ti",
"density": 13.069075689737975,
"density_atomic": 0.06854500819804912,
"volume": 58.35581766133402,
"volume_molar": 8.785673703036187,
"formula_full": "Ti1 Al1 Ir2",
"formula_reduced": "TiAlIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.454133333333334,
"spacegroup": 225
},
{
"id": "jvasp-35953",
"created_at": "2022-09-04T14:38:33.463783Z",
"updated_at": "2022-09-04T14:38:33.463805Z",
"structure_string": "Be2 C4\n1.0\n3.368954 0.000000 0.000000\n-0.000000 3.368954 0.000000\n0.000000 0.000000 5.141500\nBe C\n2 4\ndirect\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.868689 0.868689 0.000000 C\n0.631309 0.368689 0.500000 C\n0.131310 0.131310 0.000000 C\n0.368689 0.631309 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"C"
],
"chemical_system": "Be-C",
"density": 1.8799866259759963,
"density_atomic": 0.10281849627258775,
"volume": 58.35525919473741,
"volume_molar": 5.8570597492832155,
"formula_full": "Be2 C4",
"formula_reduced": "BeC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.339442033333333,
"spacegroup": 136
},
{
"id": "jvasp-38869",
"created_at": "2022-09-04T14:37:56.887663Z",
"updated_at": "2022-09-04T14:37:56.887696Z",
"structure_string": "Li1 Ta1 Ir2\n1.0\n-0.000000 3.078569 3.078569\n3.078569 0.000000 3.078569\n3.078569 3.078569 0.000000\nLi Ta Ir\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Li\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ta",
"Ir"
],
"chemical_system": "Ir-Li-Ta",
"density": 16.28596639742048,
"density_atomic": 0.06854618993515642,
"volume": 58.35481160636259,
"volume_molar": 8.785522237919931,
"formula_full": "Li1 Ta1 Ir2",
"formula_reduced": "LiTaIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.99363785,
"spacegroup": 225
}
]
}