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=27",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=25",
"results": [
{
"id": "jvasp-91718",
"created_at": "2022-09-04T14:35:41.561341Z",
"updated_at": "2022-09-04T14:35:41.561369Z",
"structure_string": "Mg3 Ti1 O4\n1.0\n4.291799 -0.000000 0.000000\n0.000000 4.291799 0.000000\n-0.000000 0.000000 4.291799\nMg Ti O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.881369576551405,
"density_atomic": 0.10119798479768011,
"volume": 79.05295758600317,
"volume_molar": 5.950850475965262,
"formula_full": "Mg3 Ti1 O4",
"formula_reduced": "Mg3TiO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.2464299354166668,
"spacegroup": 221
},
{
"id": "jvasp-67245",
"created_at": "2022-09-04T14:35:41.562719Z",
"updated_at": "2022-09-04T14:35:41.562747Z",
"structure_string": "Be2 V1 Bi1\n1.0\n3.205814 0.000000 -0.000000\n-0.000000 3.205814 0.000000\n-0.000000 -0.000000 6.057816\nBe V Bi\n2 1 1\ndirect\n0.000000 0.000000 0.021293 Be\n0.499999 0.499999 0.173976 Be\n0.499999 0.499999 0.805502 V\n0.000000 0.000000 0.499231 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Bi"
],
"chemical_system": "Be-Bi-V",
"density": 7.413396319085377,
"density_atomic": 0.0642491329311427,
"volume": 62.2576495201405,
"volume_molar": 9.373108219925813,
"formula_full": "Be2 V1 Bi1",
"formula_reduced": "Be2VBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3846151750000004,
"spacegroup": 99
},
{
"id": "jvasp-5284",
"created_at": "2022-09-04T14:35:41.562921Z",
"updated_at": "2022-09-04T14:35:41.562938Z",
"structure_string": "Sr2 H4\n1.0\n2.056541 -3.562034 0.000000\n2.056541 3.562034 0.000000\n0.000000 0.000000 5.674149\nSr H\n2 4\ndirect\n0.666666 0.333333 0.250000 Sr\n0.333333 0.666666 0.750000 Sr\n0.666666 0.333333 0.750000 H\n0.333333 0.666666 0.250000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"H"
],
"chemical_system": "H-Sr",
"density": 3.580921621116052,
"density_atomic": 0.07217471639818986,
"volume": 83.13160479769451,
"volume_molar": 8.343837094940127,
"formula_full": "Sr2 H4",
"formula_reduced": "SrH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1491987700000004,
"spacegroup": 194
},
{
"id": "jvasp-63912",
"created_at": "2022-09-04T14:35:41.566678Z",
"updated_at": "2022-09-04T14:35:41.566704Z",
"structure_string": "Ba4 Ca1 Re1\n1.0\n0.000000 4.893248 4.893248\n4.893248 0.000000 4.893248\n4.893248 4.893248 0.000000\nBa Ca Re\n4 1 1\ndirect\n0.119112 0.626963 0.626963 Ba\n0.626963 0.626963 0.626963 Ba\n0.626963 0.119112 0.626963 Ba\n0.626963 0.626963 0.119112 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Re"
],
"chemical_system": "Ba-Ca-Re",
"density": 5.496184471513298,
"density_atomic": 0.025605282571001184,
"volume": 234.3266465957769,
"volume_molar": 23.519134160309054,
"formula_full": "Ba4 Ca1 Re1",
"formula_reduced": "Ba4CaRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2203787166666664,
"spacegroup": 216
},
{
"id": "jvasp-85358",
"created_at": "2022-09-04T14:35:41.568583Z",
"updated_at": "2022-09-04T14:35:41.568598Z",
"structure_string": "Zr6 Ga6 Pt6\n1.0\n7.184040 -0.000000 0.000000\n-3.592020 6.221561 0.000000\n0.000000 -0.000000 7.168664\nZr Ga Pt\n6 6 6\ndirect\n0.386053 0.408035 0.750000 Zr\n0.021982 0.613947 0.750000 Zr\n0.591965 0.978018 0.750000 Zr\n0.613947 0.021982 0.250000 Zr\n0.978018 0.591965 0.250000 Zr\n0.408035 0.386053 0.250000 Zr\n-0.000000 0.267545 0.500000 Ga\n0.267545 0.000000 0.500000 Ga\n0.732455 0.732455 0.500000 Ga\n-0.000000 0.267545 0.000000 Ga\n0.732455 0.732455 0.000000 Ga\n0.267545 0.000000 0.000000 Ga\n0.666667 0.333333 0.969623 Pt\n0.000000 0.000000 0.750000 Pt\n0.666667 0.333333 0.530376 Pt\n0.333333 0.666667 0.469624 Pt\n0.333333 0.666667 0.030376 Pt\n0.000000 0.000000 0.250000 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Zr",
"density": 11.070872047791202,
"density_atomic": 0.05617798716751176,
"volume": 320.4101981498113,
"volume_molar": 10.71975174554253,
"formula_full": "Zr6 Ga6 Pt6",
"formula_reduced": "ZrGaPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5930060750000006,
"spacegroup": 190
},
{
"id": "jvasp-50342",
"created_at": "2022-09-04T14:35:41.570231Z",
"updated_at": "2022-09-04T14:35:41.570264Z",
"structure_string": "Na2 Cu6 O8\n1.0\n5.470205 0.000000 -0.000000\n-0.000000 5.470205 -0.000000\n-0.000000 0.000000 5.470205\nNa Cu O\n2 6 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.250000 Cu\n0.000000 0.500000 0.749999 Cu\n0.250000 0.000000 0.500000 Cu\n0.500000 0.250000 0.000000 Cu\n0.500000 0.749999 0.000000 Cu\n0.749999 0.000000 0.500000 Cu\n0.250000 0.250000 0.250000 O\n0.250000 0.749999 0.250000 O\n0.250000 0.250000 0.749999 O\n0.250000 0.749999 0.749999 O\n0.749999 0.250000 0.250000 O\n0.749999 0.250000 0.749999 O\n0.749999 0.749999 0.250000 O\n0.749999 0.749999 0.749999 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 5.632840266885757,
"density_atomic": 0.09774829170829191,
"volume": 163.68572504313886,
"volume_molar": 6.160865478827747,
"formula_full": "Na2 Cu6 O8",
"formula_reduced": "NaCu3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.998758925,
"spacegroup": 223
},
{
"id": "jvasp-97983",
"created_at": "2022-09-04T14:35:41.570938Z",
"updated_at": "2022-09-04T14:35:41.570954Z",
"structure_string": "Er6 Fe2 Si6\n1.0\n4.071110 0.000000 0.670524\n2.007176 5.187230 0.507568\n0.006074 -0.044655 12.657327\nEr Fe Si\n6 2 6\ndirect\n0.748736 0.732111 0.770417 Er\n0.251264 0.267890 0.229583 Er\n0.523761 0.332192 0.620286 Er\n0.476239 0.667809 0.379714 Er\n0.399152 0.282652 0.919044 Er\n0.600848 0.717349 0.080956 Er\n0.753060 0.078505 0.415375 Fe\n0.246940 0.921496 0.584625 Fe\n0.144793 0.254408 0.456005 Si\n0.855206 0.745593 0.543995 Si\n0.115566 0.844127 0.924741 Si\n0.884433 0.155875 0.075259 Si\n0.054279 0.133744 0.757697 Si\n0.945721 0.866257 0.242303 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Fe",
"Si"
],
"chemical_system": "Er-Fe-Si",
"density": 7.974870329574519,
"density_atomic": 0.05237448236516635,
"volume": 267.305744472832,
"volume_molar": 11.498234422657044,
"formula_full": "Er6 Fe2 Si6",
"formula_reduced": "Er3FeSi3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.652850185714285,
"spacegroup": 12
},
{
"id": "jvasp-74089",
"created_at": "2022-09-04T14:35:41.577902Z",
"updated_at": "2022-09-04T14:35:41.577936Z",
"structure_string": "K1 Be1 P2\n1.0\n3.319049 0.000000 0.000000\n0.000000 3.319049 0.000000\n0.000000 -0.000000 6.984639\nK Be P\n1 1 2\ndirect\n0.500000 0.500000 0.757395 K\n0.000000 0.000000 0.362946 Be\n0.000000 0.000000 0.070748 P\n0.500000 0.500000 0.308911 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"P"
],
"chemical_system": "Be-K-P",
"density": 2.375195954459423,
"density_atomic": 0.051986274856843304,
"volume": 76.94338574969953,
"volume_molar": 11.584097488391718,
"formula_full": "K1 Be1 P2",
"formula_reduced": "KBeP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.769446275,
"spacegroup": 99
},
{
"id": "jvasp-70296",
"created_at": "2022-09-04T14:35:41.580033Z",
"updated_at": "2022-09-04T14:35:41.580062Z",
"structure_string": "Y1 Be2 Bi1\n1.0\n3.308732 -0.000000 -0.000000\n-0.000000 3.308732 0.000000\n-0.000000 -0.000000 7.192288\nY Be Bi\n1 2 1\ndirect\n0.500000 0.500000 0.801325 Y\n0.000000 0.000000 0.069449 Be\n0.500000 0.500000 0.176269 Be\n0.000000 0.000000 0.452957 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Y",
"density": 6.662282778400695,
"density_atomic": 0.05080070489599683,
"volume": 78.73906490449518,
"volume_molar": 11.85444330414115,
"formula_full": "Y1 Be2 Bi1",
"formula_reduced": "YBe2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9381954875,
"spacegroup": 99
},
{
"id": "jvasp-64003",
"created_at": "2022-09-04T14:35:41.581689Z",
"updated_at": "2022-09-04T14:35:41.581717Z",
"structure_string": "Ba4 Te1 Se1\n1.0\n0.000000 4.901572 4.901572\n4.901572 0.000000 4.901572\n4.901572 4.901572 0.000000\nBa Te Se\n4 1 1\ndirect\n0.125152 0.624949 0.624949 Ba\n0.624949 0.624949 0.624949 Ba\n0.624949 0.125152 0.624949 Ba\n0.624949 0.624949 0.125152 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Se"
],
"chemical_system": "Ba-Se-Te",
"density": 5.329161750797243,
"density_atomic": 0.025475052951467462,
"volume": 235.52453498057898,
"volume_molar": 23.63936503477651,
"formula_full": "Ba4 Te1 Se1",
"formula_reduced": "Ba4TeSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1827458355555555,
"spacegroup": 216
},
{
"id": "jvasp-69429",
"created_at": "2022-09-04T14:35:41.585568Z",
"updated_at": "2022-09-04T14:35:41.585585Z",
"structure_string": "Y1 Be2 Cu1\n1.0\n2.992475 0.000000 -0.000000\n0.000000 2.992475 -0.000000\n0.000000 -0.000000 6.416135\nY Be Cu\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Y\n0.000000 0.000000 0.825835 Be\n0.000000 0.000000 0.174165 Be\n0.500001 0.500001 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-Y",
"density": 4.9269520348230005,
"density_atomic": 0.06961862417175953,
"volume": 57.455889822404465,
"volume_molar": 8.650186400039276,
"formula_full": "Y1 Be2 Cu1",
"formula_reduced": "YBe2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.564582025,
"spacegroup": 123
},
{
"id": "jvasp-86217",
"created_at": "2022-09-04T14:35:41.587993Z",
"updated_at": "2022-09-04T14:35:41.588010Z",
"structure_string": "Ca4 Te4\n1.0\n4.433675 -0.000000 0.000000\n-0.000000 7.609439 0.000000\n0.000000 0.000000 7.679506\nCa Te\n4 4\ndirect\n0.250000 0.499995 0.750014 Ca\n0.750001 0.500005 0.249987 Ca\n0.250000 -0.000005 0.749987 Ca\n0.750001 0.000005 0.250014 Ca\n0.250000 0.749999 0.083323 Te\n0.750001 0.250001 0.916677 Te\n0.250000 0.249999 0.416677 Te\n0.750001 0.750001 0.583323 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.298682753913921,
"density_atomic": 0.0308773633220818,
"volume": 259.0894797768836,
"volume_molar": 19.50341645814458,
"formula_full": "Ca4 Te4",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0191049999999999,
"spacegroup": 194
}
]
}