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=-energy_above_hull&page=3545",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3543",
"results": [
{
"id": "jvasp-119506",
"created_at": "2022-09-04T14:38:51.487459Z",
"updated_at": "2022-09-04T14:38:51.487485Z",
"structure_string": "Ca8 Yb3 Se12\n1.0\n5.889571 0.000000 0.000000\n0.000000 5.889571 0.000000\n-0.000000 -0.000000 17.730016\nYb Ca Se\n3 8 12\ndirect\n-0.000000 0.500000 0.164703 Yb\n0.500000 0.500000 -0.000000 Yb\n0.500000 -0.000000 0.835297 Yb\n0.000000 0.000000 0.331701 Ca\n-0.000000 0.500000 0.499890 Ca\n0.000000 0.000000 0.668299 Ca\n-0.000000 0.500000 0.836238 Ca\n0.500000 -0.000000 0.163762 Ca\n0.500000 0.500000 0.332233 Ca\n0.500000 -0.000000 0.500111 Ca\n0.500000 0.500000 0.667767 Ca\n-0.000000 0.500000 0.666880 Se\n0.500000 -0.000000 0.999046 Se\n0.500000 0.500000 0.833840 Se\n0.000000 0.000000 0.500000 Se\n-0.000000 0.500000 0.332566 Se\n0.500000 0.500000 0.166160 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.165990 Se\n0.500000 -0.000000 0.333120 Se\n0.000000 0.000000 0.834011 Se\n0.500000 -0.000000 0.667434 Se\n-0.000000 0.500000 0.000954 Se\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Se"
],
"chemical_system": "Ca-Se-Yb",
"density": 4.825711497507305,
"density_atomic": 0.0373982590176489,
"volume": 615.001890573192,
"volume_molar": 16.102730229121214,
"formula_full": "Ca8 Yb3 Se12",
"formula_reduced": "Ca8(YbSe4)3",
"formula_anonymous": "A3B8C12",
"energy_above_hull": 0.5138432982608696,
"spacegroup": 115
},
{
"id": "jvasp-37380",
"created_at": "2022-09-04T14:37:42.706475Z",
"updated_at": "2022-09-04T14:37:42.706499Z",
"structure_string": "Tm2 Cu1 Au1\n1.0\n0.000019 3.475190 3.475201\n3.475193 0.000021 3.475199\n3.475196 3.475191 0.000019\nTm Cu Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000001 0.000000 0.000000 Tm\n0.750001 0.750002 0.750001 Cu\n0.250001 0.250002 0.250001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Tm",
"density": 11.837583064646257,
"density_atomic": 0.04765364729735918,
"volume": 83.93901048203016,
"volume_molar": 12.637313409447525,
"formula_full": "Tm2 Cu1 Au1",
"formula_reduced": "Tm2CuAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.51378163,
"spacegroup": 225
},
{
"id": "jvasp-70823",
"created_at": "2022-09-04T14:35:53.904140Z",
"updated_at": "2022-09-04T14:35:53.904159Z",
"structure_string": "Ca1 Be1 Pb2\n1.0\n3.530408 0.000000 -0.000000\n0.000000 3.530408 0.000000\n0.000000 0.000000 8.315191\nCa Be Pb\n1 1 2\ndirect\n0.500000 0.500000 0.706936 Ca\n0.000000 0.000000 0.492982 Be\n0.000000 0.000000 0.996014 Pb\n0.500000 0.500000 0.304067 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Pb"
],
"chemical_system": "Be-Ca-Pb",
"density": 7.426216562873722,
"density_atomic": 0.03859561493047878,
"volume": 103.63871665745164,
"volume_molar": 15.603173497423262,
"formula_full": "Ca1 Be1 Pb2",
"formula_reduced": "CaBePb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5137620399999999,
"spacegroup": 99
},
{
"id": "jvasp-41087",
"created_at": "2022-09-04T14:38:14.931345Z",
"updated_at": "2022-09-04T14:38:14.931359Z",
"structure_string": "Ho1 Cd1 Pd2\n1.0\n0.000000 3.369784 3.369784\n3.369784 0.000000 3.369784\n3.369784 3.369784 0.000000\nHo Cd Pd\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Ho\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Cd",
"Pd"
],
"chemical_system": "Cd-Ho-Pd",
"density": 10.635787878114963,
"density_atomic": 0.05226654636096244,
"volume": 76.53078840096417,
"volume_molar": 11.521979505609538,
"formula_full": "Ho1 Cd1 Pd2",
"formula_reduced": "HoCdPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5135241791666667,
"spacegroup": 225
},
{
"id": "jvasp-79150",
"created_at": "2022-09-04T14:37:56.902722Z",
"updated_at": "2022-09-04T14:37:56.902739Z",
"structure_string": "Mg3 Si1\n1.0\n6.068368 -0.178391 0.000000\n-1.594337 2.761474 0.000000\n0.000000 0.000000 4.860347\nMg Si\n3 1\ndirect\n0.672758 0.672757 0.250000 Mg\n0.323598 0.323598 0.750000 Mg\n0.837919 0.337919 0.750000 Mg\n0.165725 0.665725 0.250000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.094723535590276,
"density_atomic": 0.04995903976304628,
"volume": 80.0655901108556,
"volume_molar": 12.05415634200091,
"formula_full": "Mg3 Si1",
"formula_reduced": "Mg3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5134887285714285,
"spacegroup": 25
},
{
"id": "jvasp-79634",
"created_at": "2022-09-04T14:37:15.396507Z",
"updated_at": "2022-09-04T14:37:15.396525Z",
"structure_string": "Tm1 Tl1 Se2\n1.0\n-2.054259 -3.558080 -0.000000\n2.054259 -3.558080 -0.000000\n0.000000 -2.372053 7.733741\nTm Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tl\n0.265928 0.265928 0.202215 Se\n0.734071 0.734071 0.797785 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"Se"
],
"chemical_system": "Se-Tl-Tm",
"density": 7.802743017124129,
"density_atomic": 0.03538094799026301,
"volume": 113.05519572570007,
"volume_molar": 17.020857557737905,
"formula_full": "Tm1 Tl1 Se2",
"formula_reduced": "TmTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5133233958333333,
"spacegroup": 166
},
{
"id": "jvasp-85148",
"created_at": "2022-09-04T14:37:14.804410Z",
"updated_at": "2022-09-04T14:37:14.804435Z",
"structure_string": "Eu1 Zn2 As2\n1.0\n4.316639 0.000004 0.000055\n-2.158316 3.738314 -0.000000\n-0.000066 -0.000038 6.574516\nEu Zn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666669 0.333333 0.345859 Zn\n0.333328 0.666664 0.654142 Zn\n0.666664 0.333331 0.737969 As\n0.333333 0.666666 0.262032 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"As"
],
"chemical_system": "As-Eu-Zn",
"density": 6.771351898832251,
"density_atomic": 0.047128593392563714,
"volume": 106.09270593653949,
"volume_molar": 12.77810417518257,
"formula_full": "Eu1 Zn2 As2",
"formula_reduced": "Eu(ZnAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5132908599999997,
"spacegroup": 164
},
{
"id": "jvasp-85344",
"created_at": "2022-09-04T14:36:04.996254Z",
"updated_at": "2022-09-04T14:36:04.996274Z",
"structure_string": "Eu1 Mg2 Sb2\n1.0\n4.666703 -0.000000 -0.000000\n-2.333352 4.041483 -0.000000\n0.000000 0.000000 7.319843\nEu Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.358118 Mg\n0.333333 0.666666 0.641882 Mg\n0.333333 0.666666 0.243622 Sb\n0.666667 0.333333 0.756378 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Mg",
"Sb"
],
"chemical_system": "Eu-Mg-Sb",
"density": 5.341599447847953,
"density_atomic": 0.03621740416397787,
"volume": 138.0551730698867,
"volume_molar": 16.62775369746038,
"formula_full": "Eu1 Mg2 Sb2",
"formula_reduced": "Eu(MgSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5132900599999998,
"spacegroup": 164
},
{
"id": "jvasp-63889",
"created_at": "2022-09-04T14:36:06.584086Z",
"updated_at": "2022-09-04T14:36:06.584103Z",
"structure_string": "Ba2 Ti1 Hg1\n1.0\n0.000000 4.108049 4.108049\n4.108049 0.000000 4.108049\n4.108049 4.108049 0.000000\nBa Ti Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Hg"
],
"chemical_system": "Ba-Hg-Ti",
"density": 6.264784102281236,
"density_atomic": 0.028848494264495015,
"volume": 138.6554169283961,
"volume_molar": 20.875060946982206,
"formula_full": "Ba2 Ti1 Hg1",
"formula_reduced": "Ba2TiHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5132812183333334,
"spacegroup": 225
},
{
"id": "jvasp-56705",
"created_at": "2022-09-04T14:38:33.469768Z",
"updated_at": "2022-09-04T14:38:33.469790Z",
"structure_string": "Zr2 Mn2 Tl2 F14\n1.0\n0.000000 6.452957 -0.019694\n8.322917 0.000000 0.000000\n0.000000 -2.982258 -5.722211\nZr Mn Tl F\n2 2 2 14\ndirect\n0.309964 0.750000 0.190219 Zr\n0.690035 0.250000 0.809781 Zr\n0.691282 0.750000 0.808876 Mn\n0.308718 0.250000 0.191123 Mn\n-0.000000 0.500000 0.500000 Tl\n-0.000000 0.000000 0.500000 Tl\n0.335753 0.750000 0.531374 F\n0.503342 0.250000 0.996300 F\n0.699047 0.004914 0.800890 F\n0.338302 0.250000 0.556133 F\n0.496658 0.750000 0.003699 F\n0.300953 0.995086 0.199109 F\n0.664246 0.250000 0.468625 F\n0.968778 0.750000 0.164336 F\n0.661698 0.750000 0.443866 F\n0.031222 0.250000 0.835663 F\n0.699047 0.495086 0.800890 F\n0.056431 0.750000 0.838471 F\n0.300953 0.504915 0.199109 F\n0.943569 0.250000 0.161529 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zr",
"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Tl-Zr",
"density": 5.216963822441584,
"density_atomic": 0.06497429263036607,
"volume": 307.81404753074446,
"volume_molar": 9.268497610677368,
"formula_full": "Zr2 Mn2 Tl2 F14",
"formula_reduced": "ZrMnTlF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.513240631887931,
"spacegroup": 63
},
{
"id": "jvasp-121196",
"created_at": "2022-09-04T14:38:53.827980Z",
"updated_at": "2022-09-04T14:38:53.828008Z",
"structure_string": "Li2 Te1\n1.0\n4.454852 0.000000 0.000000\n0.000000 4.975472 0.000000\n0.000000 0.000000 5.872770\nLi Te\n2 1\ndirect\n-0.033326 0.000000 0.777329 Li\n-0.033326 0.000000 0.222671 Li\n0.466652 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Te"
],
"chemical_system": "Li-Te",
"density": 1.804844242504524,
"density_atomic": 0.023046803300760355,
"volume": 130.16989648629598,
"volume_molar": 26.130047978503463,
"formula_full": "Li2 Te1",
"formula_reduced": "Li2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5130925888888892,
"spacegroup": 47
},
{
"id": "jvasp-39839",
"created_at": "2022-09-04T14:37:54.089358Z",
"updated_at": "2022-09-04T14:37:54.089379Z",
"structure_string": "Li2 Ac1 Pb1\n1.0\n-0.000000 3.649327 3.649327\n3.649327 -0.000000 3.649327\n3.649327 3.649327 0.000000\nLi Ac Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250001 0.250001 0.250001 Ac\n0.750002 0.750002 0.750002 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Pb"
],
"chemical_system": "Ac-Li-Pb",
"density": 7.654877744368134,
"density_atomic": 0.04115206707085484,
"volume": 97.20046366353546,
"volume_molar": 14.633871852976897,
"formula_full": "Li2 Ac1 Pb1",
"formula_reduced": "Li2AcPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.513040205,
"spacegroup": 225
}
]
}