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=-nsites&page=3990",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=3988",
"results": [
{
"id": "jvasp-74313",
"created_at": "2022-09-04T14:35:41.514456Z",
"updated_at": "2022-09-04T14:35:41.514486Z",
"structure_string": "Na2 Be1 Pb1\n1.0\n-2.458609 2.458609 3.477311\n2.458609 -2.458609 3.477311\n2.458609 2.458609 -3.477311\nNa Be Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Pb"
],
"chemical_system": "Be-Na-Pb",
"density": 5.178280968284382,
"density_atomic": 0.04757486137244833,
"volume": 84.07801693178426,
"volume_molar": 12.658241319621705,
"formula_full": "Na2 Be1 Pb1",
"formula_reduced": "Na2BePb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.21490623,
"spacegroup": 216
},
{
"id": "jvasp-70226",
"created_at": "2022-09-04T14:35:41.513122Z",
"updated_at": "2022-09-04T14:35:41.513155Z",
"structure_string": "Hf1 Sc1 Be2\n1.0\n3.120839 0.000000 0.000000\n-0.000000 3.120839 0.000000\n-0.000000 0.000000 6.322523\nHf Sc Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Hf\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.753059 Be\n0.000000 0.000000 0.246941 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Sc",
"Be"
],
"chemical_system": "Be-Hf-Sc",
"density": 6.511478770602532,
"density_atomic": 0.06495713240642734,
"volume": 61.57907302577,
"volume_molar": 9.27094614078765,
"formula_full": "Hf1 Sc1 Be2",
"formula_reduced": "HfScBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9183401125,
"spacegroup": 123
},
{
"id": "jvasp-75473",
"created_at": "2022-09-04T14:35:46.486441Z",
"updated_at": "2022-09-04T14:35:46.486468Z",
"structure_string": "Tc2 Mo1 As1\n1.0\n-0.000000 3.107243 3.107243\n3.107243 0.000000 3.107243\n3.107243 3.107243 -0.000000\nTc Mo As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n0.749999 0.749999 0.749999 Mo\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tc",
"Mo",
"As"
],
"chemical_system": "As-Mo-Tc",
"density": 10.153030777516419,
"density_atomic": 0.06666599121188571,
"volume": 60.000607915462155,
"volume_molar": 9.033302663812082,
"formula_full": "Tc2 Mo1 As1",
"formula_reduced": "Tc2MoAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.8615226625000005,
"spacegroup": 216
},
{
"id": "jvasp-71285",
"created_at": "2022-09-04T14:35:41.636028Z",
"updated_at": "2022-09-04T14:35:41.636056Z",
"structure_string": "Be1 Sb2 Pd1\n1.0\n3.182028 0.000000 -0.000000\n0.000000 3.182028 0.000000\n0.000000 0.000000 8.115601\nBe Sb Pd\n1 2 1\ndirect\n0.000000 0.000000 0.571278 Be\n0.000000 0.000000 0.917375 Sb\n0.500000 0.500000 0.335796 Sb\n0.500000 0.500000 0.675551 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Pd"
],
"chemical_system": "Be-Pd-Sb",
"density": 7.253656982393784,
"density_atomic": 0.04867784131517325,
"volume": 82.17291260106002,
"volume_molar": 12.37142115856903,
"formula_full": "Be1 Sb2 Pd1",
"formula_reduced": "BeSb2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6581885,
"spacegroup": 99
},
{
"id": "jvasp-71495",
"created_at": "2022-09-04T14:35:41.626828Z",
"updated_at": "2022-09-04T14:35:41.626861Z",
"structure_string": "Be1 In2 Br1\n1.0\n3.213457 0.000000 -0.000000\n0.000000 3.213457 0.000000\n-0.000000 0.000000 9.335375\nBe In Br\n1 2 1\ndirect\n0.000000 0.000000 0.519946 Be\n0.000000 0.000000 0.015460 In\n0.500001 0.500001 0.306420 In\n0.500001 0.500001 0.658173 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Br"
],
"chemical_system": "Be-Br-In",
"density": 5.487227012044516,
"density_atomic": 0.04149380268257071,
"volume": 96.39993785578449,
"volume_molar": 14.513349875569668,
"formula_full": "Be1 In2 Br1",
"formula_reduced": "BeIn2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.23656503625,
"spacegroup": 99
},
{
"id": "jvasp-69355",
"created_at": "2022-09-04T14:35:46.503300Z",
"updated_at": "2022-09-04T14:35:46.503331Z",
"structure_string": "Ba1 Hg1 W2\n1.0\n4.220661 0.000000 -0.000000\n-0.000000 4.220661 0.000000\n-0.000000 -0.000000 5.236815\nBa Hg W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"W"
],
"chemical_system": "Ba-Hg-W",
"density": 12.559653219410631,
"density_atomic": 0.04287773310272928,
"volume": 93.28851388706904,
"volume_molar": 14.044914047978613,
"formula_full": "Ba1 Hg1 W2",
"formula_reduced": "BaHgW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9165626425,
"spacegroup": 123
},
{
"id": "jvasp-71947",
"created_at": "2022-09-04T14:35:41.623038Z",
"updated_at": "2022-09-04T14:35:41.623053Z",
"structure_string": "Ta1 Mn2 Be1\n1.0\n-1.759347 1.759347 4.027496\n1.759347 -1.759347 4.027496\n1.759347 1.759347 -4.027496\nTa Mn Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750001 0.500001 Mn\n0.750001 0.250000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Be"
],
"chemical_system": "Be-Mn-Ta",
"density": 9.984698938680683,
"density_atomic": 0.08021616082604618,
"volume": 49.86526354301913,
"volume_molar": 7.507390902263938,
"formula_full": "Ta1 Mn2 Be1",
"formula_reduced": "TaMn2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.263939945689654,
"spacegroup": 119
},
{
"id": "jvasp-69123",
"created_at": "2022-09-04T14:35:46.507818Z",
"updated_at": "2022-09-04T14:35:46.507848Z",
"structure_string": "Ba1 Mg1 Ga2\n1.0\n5.220410 0.000000 0.000000\n-0.000000 5.220410 -0.000000\n0.000000 0.000000 4.135199\nBa Mg Ga\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 4.436316065856881,
"density_atomic": 0.03549395148589016,
"volume": 112.69525743252656,
"volume_molar": 16.966667581077783,
"formula_full": "Ba1 Mg1 Ga2",
"formula_reduced": "BaMgGa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-37189",
"created_at": "2022-09-04T14:35:46.509469Z",
"updated_at": "2022-09-04T14:35:46.509497Z",
"structure_string": "Mn3 Ga1\n1.0\n2.859689 2.859689 0.000000\n2.859689 0.000000 -2.859689\n0.000000 2.859689 -2.859689\nMn Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 8.326726556896242,
"density_atomic": 0.08552115964576484,
"volume": 46.7720505260722,
"volume_molar": 7.0416967975459706,
"formula_full": "Mn3 Ga1",
"formula_reduced": "Mn3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 3.080316012284482,
"spacegroup": 225
},
{
"id": "jvasp-68295",
"created_at": "2022-09-04T14:35:46.517337Z",
"updated_at": "2022-09-04T14:35:46.517363Z",
"structure_string": "Be1 Co2 Bi1\n1.0\n-1.850439 1.850439 3.988590\n1.850439 -1.850439 3.988590\n1.850439 1.850439 -3.988590\nBe Co Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Co\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Bi"
],
"chemical_system": "Be-Bi-Co",
"density": 10.208856946998495,
"density_atomic": 0.07322022477312255,
"volume": 54.62971484168821,
"volume_molar": 8.22469581138269,
"formula_full": "Be1 Co2 Bi1",
"formula_reduced": "BeCo2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.44588555,
"spacegroup": 119
},
{
"id": "jvasp-69432",
"created_at": "2022-09-04T14:35:47.391600Z",
"updated_at": "2022-09-04T14:35:47.391625Z",
"structure_string": "Be2 Ni1 Se1\n1.0\n3.163396 0.000000 0.000000\n0.000000 3.163396 0.000000\n-0.000000 0.000000 4.775667\nBe Ni Se\n2 1 1\ndirect\n0.000000 0.000000 0.002466 Be\n0.500001 0.500001 0.270061 Be\n0.000000 0.000000 0.445386 Ni\n0.500001 0.500001 0.782087 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Se"
],
"chemical_system": "Be-Ni-Se",
"density": 5.40921849019239,
"density_atomic": 0.08369872311575725,
"volume": 47.790454275723036,
"volume_molar": 7.195021065818699,
"formula_full": "Be2 Ni1 Se1",
"formula_reduced": "Be2NiSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5423869916666666,
"spacegroup": 99
},
{
"id": "jvasp-37042",
"created_at": "2022-09-04T14:35:47.393836Z",
"updated_at": "2022-09-04T14:35:47.393859Z",
"structure_string": "Ti3 Ge1\n1.0\n3.168015 3.168015 0.000000\n3.168015 0.000000 -3.168015\n-0.000000 3.168015 -3.168015\nTi Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti",
"density": 5.646709624030485,
"density_atomic": 0.06290255816151377,
"volume": 63.590418528436814,
"volume_molar": 9.573761284138964,
"formula_full": "Ti3 Ge1",
"formula_reduced": "Ti3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0019302375000008,
"spacegroup": 225
}
]
}