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=spacegroup&page=3506",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=3504",
"results": [
{
"id": "jvasp-67584",
"created_at": "2022-09-04T14:35:54.723433Z",
"updated_at": "2022-09-04T14:35:54.723457Z",
"structure_string": "Ca1 Be1 Os2\n1.0\n-2.213796 2.213796 3.130965\n2.213796 -2.213796 3.130965\n2.213796 2.213796 -3.130965\nCa Be Os\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Ca\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 Os\n0.250000 0.750001 0.500001 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Os"
],
"chemical_system": "Be-Ca-Os",
"density": 11.621163299511775,
"density_atomic": 0.06516983034014036,
"volume": 61.37809442072863,
"volume_molar": 9.240688104554962,
"formula_full": "Ca1 Be1 Os2",
"formula_reduced": "CaBeOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4373116300000004,
"spacegroup": 216
},
{
"id": "jvasp-64049",
"created_at": "2022-09-04T14:35:54.844646Z",
"updated_at": "2022-09-04T14:35:54.844669Z",
"structure_string": "Ba4 Fe1 Br1\n1.0\n0.000000 4.985081 4.985081\n4.985081 0.000000 4.985081\n4.985081 4.985081 -0.000000\nBa Fe Br\n4 1 1\ndirect\n0.123488 0.625504 0.625504 Ba\n0.625504 0.625504 0.625504 Ba\n0.625504 0.123488 0.625504 Ba\n0.625504 0.625504 0.123488 Ba\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Br"
],
"chemical_system": "Ba-Br-Fe",
"density": 4.591231085242398,
"density_atomic": 0.024216122045236113,
"volume": 247.7688206555906,
"volume_molar": 24.86831189878603,
"formula_full": "Ba4 Fe1 Br1",
"formula_reduced": "Ba4FeBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5579855808333333,
"spacegroup": 216
},
{
"id": "jvasp-93791",
"created_at": "2022-09-04T14:35:54.782499Z",
"updated_at": "2022-09-04T14:35:54.782525Z",
"structure_string": "Ce1 Ir5\n1.0\n-3.726829 -3.726829 0.000000\n-3.726829 -0.000000 -3.726829\n0.000000 -3.726829 -3.726829\nCe Ir\n1 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Ir\n0.871466 0.376178 0.376178 Ir\n0.376178 0.871466 0.376178 Ir\n0.376178 0.376178 0.871466 Ir\n0.376178 0.376178 0.376178 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Ir"
],
"chemical_system": "Ce-Ir",
"density": 17.663115147011567,
"density_atomic": 0.05795659414338574,
"volume": 103.52575213712323,
"volume_molar": 10.390777527577114,
"formula_full": "Ce1 Ir5",
"formula_reduced": "CeIr5",
"formula_anonymous": "AB5",
"energy_above_hull": 4.6601035,
"spacegroup": 216
},
{
"id": "jvasp-75815",
"created_at": "2022-09-04T14:35:54.786050Z",
"updated_at": "2022-09-04T14:35:54.786071Z",
"structure_string": "Mn1 Nb2 As1\n1.0\n0.000000 3.160352 3.160352\n3.160352 0.000000 3.160352\n3.160352 3.160352 0.000000\nMn Nb As\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"As"
],
"chemical_system": "As-Mn-Nb",
"density": 8.303273622719656,
"density_atomic": 0.06336123367146146,
"volume": 63.13008393650708,
"volume_molar": 9.504456291406512,
"formula_full": "Mn1 Nb2 As1",
"formula_reduced": "MnNb2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.414834447844827,
"spacegroup": 216
},
{
"id": "jvasp-64531",
"created_at": "2022-09-04T14:35:54.861489Z",
"updated_at": "2022-09-04T14:35:54.861514Z",
"structure_string": "Ba4 Ca1 P1\n1.0\n-0.000000 5.104082 5.104082\n5.104082 0.000000 5.104082\n5.104082 5.104082 -0.000000\nBa Ca P\n4 1 1\ndirect\n0.118519 0.627160 0.627160 Ba\n0.627160 0.627160 0.627160 Ba\n0.627160 0.118519 0.627160 Ba\n0.627160 0.627160 0.118519 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"P"
],
"chemical_system": "Ba-Ca-P",
"density": 3.8735555956931544,
"density_atomic": 0.022561518469675836,
"volume": 265.9395469353889,
"volume_molar": 26.692089754925643,
"formula_full": "Ba4 Ca1 P1",
"formula_reduced": "Ba4CaP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3502933,
"spacegroup": 216
},
{
"id": "jvasp-75557",
"created_at": "2022-09-04T14:35:54.865566Z",
"updated_at": "2022-09-04T14:35:54.865590Z",
"structure_string": "Ta1 Zn1 As1\n1.0\n-0.000000 3.102769 3.102769\n3.102769 0.000000 3.102769\n3.102769 3.102769 0.000000\nTa Zn As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"As"
],
"chemical_system": "As-Ta-Zn",
"density": 8.930019496618664,
"density_atomic": 0.050216093916498616,
"volume": 59.741803195376434,
"volume_molar": 11.99245160329249,
"formula_full": "Ta1 Zn1 As1",
"formula_reduced": "TaZnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.34352045,
"spacegroup": 216
},
{
"id": "jvasp-37102",
"created_at": "2022-09-04T14:35:55.106406Z",
"updated_at": "2022-09-04T14:35:55.106436Z",
"structure_string": "Sc2 Mn1 Sn1\n1.0\n3.345845 3.345845 0.000000\n3.345845 0.000000 -3.345845\n0.000000 3.345845 -3.345845\nSc Mn Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.749999 0.749999 0.749999 Sc\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sc-Sn",
"density": 5.842260678654931,
"density_atomic": 0.05339646936253651,
"volume": 74.91131993843847,
"volume_molar": 11.278162829666774,
"formula_full": "Sc2 Mn1 Sn1",
"formula_reduced": "Sc2MnSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.420144860344828,
"spacegroup": 216
},
{
"id": "jvasp-75004",
"created_at": "2022-09-04T14:35:54.961920Z",
"updated_at": "2022-09-04T14:35:54.961938Z",
"structure_string": "Be1 Cu4 Re1\n1.0\n0.000000 3.338412 3.338412\n3.338412 -0.000000 3.338412\n3.338412 3.338412 0.000000\nBe Cu Re\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625145 0.124564 0.625145 Cu\n0.124564 0.625145 0.625145 Cu\n0.625145 0.625145 0.625145 Cu\n0.625145 0.625145 0.124564 Cu\n0.250000 0.250000 0.250000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Re"
],
"chemical_system": "Be-Cu-Re",
"density": 10.028487708744919,
"density_atomic": 0.08063089052119211,
"volume": 74.4131679709407,
"volume_molar": 7.468776198642142,
"formula_full": "Be1 Cu4 Re1",
"formula_reduced": "BeCu4Re",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3926043166666673,
"spacegroup": 216
},
{
"id": "jvasp-37056",
"created_at": "2022-09-04T14:35:54.968765Z",
"updated_at": "2022-09-04T14:35:54.968786Z",
"structure_string": "Ti2 Al1 Zn1\n1.0\n3.199840 3.199840 0.000000\n3.199840 -0.000000 -3.199840\n-0.000000 3.199840 -3.199840\nTi Al Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Zn"
],
"chemical_system": "Al-Ti-Zn",
"density": 4.76737989257007,
"density_atomic": 0.06104431243904115,
"volume": 65.5261700915118,
"volume_molar": 9.865195493869654,
"formula_full": "Ti2 Al1 Zn1",
"formula_reduced": "Ti2AlZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9379474666666665,
"spacegroup": 216
},
{
"id": "jvasp-66042",
"created_at": "2022-09-04T14:35:55.108793Z",
"updated_at": "2022-09-04T14:35:55.108816Z",
"structure_string": "Ba4 Cu1 Os1\n1.0\n0.000000 4.706254 4.706254\n4.706254 -0.000000 4.706254\n4.706254 4.706254 0.000000\nBa Cu Os\n4 1 1\ndirect\n0.123018 0.625660 0.625660 Ba\n0.625660 0.625660 0.625660 Ba\n0.625660 0.123018 0.625660 Ba\n0.625660 0.625660 0.123018 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Os"
],
"chemical_system": "Ba-Cu-Os",
"density": 6.396670602890544,
"density_atomic": 0.028780290066249492,
"volume": 208.4760086221706,
"volume_molar": 20.924531150094747,
"formula_full": "Ba4 Cu1 Os1",
"formula_reduced": "Ba4CuOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0510398883333332,
"spacegroup": 216
},
{
"id": "jvasp-75590",
"created_at": "2022-09-04T14:35:55.109785Z",
"updated_at": "2022-09-04T14:35:55.109801Z",
"structure_string": "As4 Ru1 Br1\n1.0\n-0.000000 4.070579 4.070579\n4.070579 0.000000 4.070579\n4.070579 4.070579 0.000000\nAs Ru Br\n4 1 1\ndirect\n0.610942 0.167175 0.610942 As\n0.167175 0.610942 0.610942 As\n0.610942 0.610942 0.610942 As\n0.610942 0.610942 0.167175 As\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"As",
"Ru",
"Br"
],
"chemical_system": "As-Br-Ru",
"density": 5.916827146961453,
"density_atomic": 0.04447876206640454,
"volume": 134.89584064957347,
"volume_molar": 13.539362338837687,
"formula_full": "As4 Ru1 Br1",
"formula_reduced": "As4RuBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6700152675,
"spacegroup": 216
},
{
"id": "jvasp-65026",
"created_at": "2022-09-04T14:35:55.043416Z",
"updated_at": "2022-09-04T14:35:55.043445Z",
"structure_string": "Be1 Ir4 W1\n1.0\n0.000000 3.607037 3.607037\n3.607037 -0.000000 3.607037\n3.607037 3.607037 0.000000\nBe Ir W\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123213 0.625596 0.625596 Ir\n0.625596 0.625596 0.625596 Ir\n0.625596 0.123213 0.625596 Ir\n0.625596 0.625596 0.123213 Ir\n0.250000 0.250000 0.250000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Ir",
"W"
],
"chemical_system": "Be-Ir-W",
"density": 17.01437655128556,
"density_atomic": 0.06392481253194332,
"volume": 93.860267435306,
"volume_molar": 9.420662371110948,
"formula_full": "Be1 Ir4 W1",
"formula_reduced": "BeIr4W",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.304625083333333,
"spacegroup": 216
}
]
}