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=-nelements&page=1053",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1051",
"results": [
{
"id": "jvasp-67845",
"created_at": "2022-09-04T14:35:58.545265Z",
"updated_at": "2022-09-04T14:35:58.545293Z",
"structure_string": "Sr1 Be1 Re1\n1.0\n-1.622175 1.622175 5.439588\n1.622175 -1.622175 5.439588\n1.622175 1.622175 -5.439588\nSr Be Re\n1 1 1\ndirect\n0.673049 0.673049 0.000000 Sr\n0.934632 0.934632 0.000000 Be\n0.392320 0.392320 0.000000 Re\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Re"
],
"chemical_system": "Be-Re-Sr",
"density": 8.202897099165032,
"density_atomic": 0.0523962068890852,
"volume": 57.25605302594792,
"volume_molar": 11.493467022809412,
"formula_full": "Sr1 Be1 Re1",
"formula_reduced": "SrBeRe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5795101366666664,
"spacegroup": 107
},
{
"id": "jvasp-65751",
"created_at": "2022-09-04T14:35:58.549728Z",
"updated_at": "2022-09-04T14:35:58.549760Z",
"structure_string": "Ba2 Ge1 Pb1\n1.0\n-0.000000 4.172711 4.172711\n4.172711 -0.000000 4.172711\n4.172711 4.172711 -0.000000\nBa Ge Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Pb"
],
"chemical_system": "Ba-Ge-Pb",
"density": 6.336669156427891,
"density_atomic": 0.02752802636114844,
"volume": 145.3064577722645,
"volume_molar": 21.87639855103932,
"formula_full": "Ba2 Ge1 Pb1",
"formula_reduced": "Ba2GePb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0230221774999999,
"spacegroup": 225
},
{
"id": "jvasp-67569",
"created_at": "2022-09-04T14:35:58.556145Z",
"updated_at": "2022-09-04T14:35:58.556162Z",
"structure_string": "Be1 Co2 Br1\n1.0\n3.064916 -0.000000 0.000000\n-0.000000 3.064916 -0.000000\n0.000000 -0.000000 6.191466\nBe Co Br\n1 2 1\ndirect\n-0.000000 0.000000 0.439858 Be\n-0.000000 0.000000 0.098965 Co\n0.500001 0.500001 0.275219 Co\n0.500001 0.500001 0.685959 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Br"
],
"chemical_system": "Be-Br-Co",
"density": 5.903810176495293,
"density_atomic": 0.06877480161231704,
"volume": 58.16083661786428,
"volume_molar": 8.756318620803526,
"formula_full": "Be1 Co2 Br1",
"formula_reduced": "BeCo2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.17838550125,
"spacegroup": 99
},
{
"id": "jvasp-91711",
"created_at": "2022-09-04T14:35:58.566077Z",
"updated_at": "2022-09-04T14:35:58.566102Z",
"structure_string": "Ni1 Pb1 F6\n1.0\n4.593170 0.071768 3.228450\n1.715285 4.261473 3.228450\n0.104482 0.071768 5.613304\nNi Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.499999 Pb\n0.394998 0.076039 0.767766 F\n0.076039 0.767767 0.394998 F\n0.232233 0.605001 0.923962 F\n0.923963 0.232234 0.605001 F\n0.605002 0.923962 0.232233 F\n0.767767 0.394999 0.076038 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Pb",
"F"
],
"chemical_system": "F-Ni-Pb",
"density": 5.889829792694309,
"density_atomic": 0.07469522476845566,
"volume": 107.10189339142946,
"volume_molar": 8.062283470821274,
"formula_full": "Ni1 Pb1 F6",
"formula_reduced": "NiPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0030487499999999,
"spacegroup": 148
},
{
"id": "jvasp-38648",
"created_at": "2022-09-04T14:35:58.541218Z",
"updated_at": "2022-09-04T14:35:58.541243Z",
"structure_string": "Ni1 Ru1 O3\n1.0\n3.713863 0.000000 0.000000\n0.000000 3.713863 0.000000\n-0.000000 -0.000000 3.713863\nNi Ru O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"Ru",
"O"
],
"chemical_system": "Ni-O-Ru",
"density": 6.73498668378816,
"density_atomic": 0.09760956269232199,
"volume": 51.22448930296562,
"volume_molar": 6.169621698831465,
"formula_full": "Ni1 Ru1 O3",
"formula_reduced": "NiRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.70718868,
"spacegroup": 221
},
{
"id": "jvasp-48718",
"created_at": "2022-09-04T14:35:58.650556Z",
"updated_at": "2022-09-04T14:35:58.650588Z",
"structure_string": "Li8 Fe4 O12\n1.0\n0.000000 4.818520 -0.000691\n8.230157 0.000000 0.000000\n0.000000 -0.000596 -4.822902\nLi Fe O\n8 4 12\ndirect\n0.500000 0.581207 -0.000000 Li\n0.500000 0.246671 0.500000 Li\n0.500000 0.267431 -0.000000 Li\n0.500000 0.932896 0.500000 Li\n-0.000000 0.081204 0.500000 Li\n0.000000 0.432896 0.000000 Li\n-0.000000 0.767430 0.500000 Li\n0.000000 0.746673 0.000000 Li\n-0.000000 0.415509 0.500000 Fe\n0.000000 0.098592 0.000000 Fe\n0.500000 0.915511 -0.000000 Fe\n0.500000 0.598594 0.500000 Fe\n0.175070 0.932260 0.215390 O\n0.851926 0.257052 0.750001 O\n0.824929 0.932260 0.784609 O\n0.824925 0.581843 0.715391 O\n0.675071 0.081843 0.215390 O\n0.675074 0.432260 0.284608 O\n0.648074 0.757051 0.249999 O\n0.351926 0.757051 0.750001 O\n0.324925 0.432260 0.715391 O\n0.324929 0.081843 0.784609 O\n0.175074 0.581843 0.284608 O\n0.148074 0.257052 0.249999 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.088352132855048,
"density_atomic": 0.12548187828438273,
"volume": 191.26267735336413,
"volume_molar": 4.799211521485096,
"formula_full": "Li8 Fe4 O12",
"formula_reduced": "Li2FeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.918159333333333,
"spacegroup": 52
},
{
"id": "jvasp-91264",
"created_at": "2022-09-04T14:35:58.712795Z",
"updated_at": "2022-09-04T14:35:58.712821Z",
"structure_string": "Sr2 Ni2 O4\n1.0\n3.582837 -0.000000 -0.784142\n-0.000000 3.763789 0.000000\n-0.048576 0.000000 8.355319\nSr Ni O\n2 2 4\ndirect\n0.333107 0.750000 0.666215 Sr\n0.666893 0.249999 0.333786 Sr\n0.064099 0.750000 0.128201 Ni\n0.935901 0.249999 0.871801 Ni\n0.180150 0.750000 0.360301 O\n0.819850 0.249999 0.639700 O\n0.948329 0.750000 0.896662 O\n0.051668 0.249999 0.103339 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ni",
"O"
],
"chemical_system": "Ni-O-Sr",
"density": 5.2625683356845405,
"density_atomic": 0.07109312158688703,
"volume": 112.5284671910592,
"volume_molar": 8.470778361645003,
"formula_full": "Sr2 Ni2 O4",
"formula_reduced": "SrNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8178389274999999,
"spacegroup": 63
},
{
"id": "jvasp-71518",
"created_at": "2022-09-04T14:35:58.903683Z",
"updated_at": "2022-09-04T14:35:58.903719Z",
"structure_string": "Be2 Hg1 Pt1\n1.0\n3.086611 -0.000000 0.000000\n-0.000000 3.086611 0.000000\n-0.000000 -0.000000 5.736334\nBe Hg Pt\n2 1 1\ndirect\n0.000000 0.000000 0.990851 Be\n0.500000 0.500000 0.219898 Be\n0.000000 0.000000 0.453687 Hg\n0.500000 0.500000 0.835564 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Pt"
],
"chemical_system": "Be-Hg-Pt",
"density": 12.569982452237461,
"density_atomic": 0.0731916877527354,
"volume": 54.65101465501468,
"volume_molar": 8.227902573233031,
"formula_full": "Be2 Hg1 Pt1",
"formula_reduced": "Be2HgPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2423541812500003,
"spacegroup": 99
},
{
"id": "jvasp-68338",
"created_at": "2022-09-04T14:35:58.926069Z",
"updated_at": "2022-09-04T14:35:58.926095Z",
"structure_string": "Sr2 Be1 Ge1\n1.0\n-2.313141 2.313141 5.052921\n2.313141 -2.313141 5.052921\n2.313141 2.313141 -5.052921\nSr Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Sr",
"density": 3.9445119171196352,
"density_atomic": 0.036987355267356345,
"volume": 108.14506663390043,
"volume_molar": 16.281620344223196,
"formula_full": "Sr2 Be1 Ge1",
"formula_reduced": "Sr2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4138861675,
"spacegroup": 119
},
{
"id": "jvasp-92396",
"created_at": "2022-09-04T14:35:58.932587Z",
"updated_at": "2022-09-04T14:35:58.932605Z",
"structure_string": "Tm1 Si2 Ru2\n1.0\n3.878187 0.000000 -1.554427\n-0.623034 3.827813 -1.554427\n-0.012561 -0.014770 5.583778\nTm Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.369898 0.369897 0.739794 Si\n0.630104 0.630103 0.260206 Si\n0.750001 0.250000 0.500000 Ru\n0.250001 0.749999 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Tm",
"density": 8.577342096388689,
"density_atomic": 0.06045001823306185,
"volume": 82.71296099072732,
"volume_molar": 9.96218187525098,
"formula_full": "Tm1 Si2 Ru2",
"formula_reduced": "Tm(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.37184649,
"spacegroup": 139
},
{
"id": "jvasp-64272",
"created_at": "2022-09-04T14:35:58.934328Z",
"updated_at": "2022-09-04T14:35:58.934353Z",
"structure_string": "Ba4 Y1 Hf1\n1.0\n-0.000000 5.001784 5.001784\n5.001784 0.000000 5.001784\n5.001784 5.001784 0.000000\nBa Y Hf\n4 1 1\ndirect\n0.127269 0.624243 0.624243 Ba\n0.624243 0.624243 0.624243 Ba\n0.624243 0.127269 0.624243 Ba\n0.624243 0.624243 0.127269 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Hf\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Hf"
],
"chemical_system": "Ba-Hf-Y",
"density": 5.418872164490773,
"density_atomic": 0.023974328721202906,
"volume": 250.26769549103568,
"volume_molar": 25.119121498797234,
"formula_full": "Ba4 Y1 Hf1",
"formula_reduced": "Ba4YHf",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5129387216666663,
"spacegroup": 216
},
{
"id": "jvasp-66336",
"created_at": "2022-09-04T14:35:58.941729Z",
"updated_at": "2022-09-04T14:35:58.941754Z",
"structure_string": "Ba4 Ta1 Pt1\n1.0\n0.000000 4.763490 4.763490\n4.763490 -0.000000 4.763490\n4.763490 4.763490 -0.000000\nBa Ta Pt\n4 1 1\ndirect\n0.126665 0.624445 0.624445 Ba\n0.624445 0.624445 0.624445 Ba\n0.624445 0.126665 0.624445 Ba\n0.624445 0.624445 0.126665 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Pt"
],
"chemical_system": "Ba-Pt-Ta",
"density": 7.1079539899208575,
"density_atomic": 0.0277552715815293,
"volume": 216.17515009267308,
"volume_molar": 21.69728637787007,
"formula_full": "Ba4 Ta1 Pt1",
"formula_reduced": "Ba4TaPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7357240799999991,
"spacegroup": 216
}
]
}