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=structure_string&page=456",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=454",
"results": [
{
"id": "jvasp-64336",
"created_at": "2022-09-04T14:36:00.579538Z",
"updated_at": "2022-09-04T14:36:00.579561Z",
"structure_string": "Ba4 Sc1 Se1\n1.0\n0.000000 5.057624 5.057624\n5.057624 0.000000 5.057624\n5.057624 5.057624 -0.000000\nBa Sc Se\n4 1 1\ndirect\n0.123176 0.625608 0.625608 Ba\n0.625608 0.625608 0.625608 Ba\n0.625608 0.123176 0.625608 Ba\n0.625608 0.625608 0.123176 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Se"
],
"chemical_system": "Ba-Sc-Se",
"density": 4.320549815195124,
"density_atomic": 0.02318897949960692,
"volume": 258.74359844518847,
"volume_molar": 25.969839509764036,
"formula_full": "Ba4 Sc1 Se1",
"formula_reduced": "Ba4ScSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6090004161111109,
"spacegroup": 216
},
{
"id": "jvasp-64142",
"created_at": "2022-09-04T14:35:52.642728Z",
"updated_at": "2022-09-04T14:35:52.642746Z",
"structure_string": "Ba4 Sc1 Si1\n1.0\n0.000000 4.984492 4.984492\n4.984492 0.000000 4.984492\n4.984492 4.984492 -0.000000\nBa Sc Si\n4 1 1\ndirect\n0.121845 0.626051 0.626051 Ba\n0.626051 0.626051 0.626051 Ba\n0.626051 0.121845 0.626051 Ba\n0.626051 0.626051 0.121845 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Si"
],
"chemical_system": "Ba-Sc-Si",
"density": 4.172445526627653,
"density_atomic": 0.02422470766322578,
"volume": 247.6810074826321,
"volume_molar": 24.859498177317064,
"formula_full": "Ba4 Sc1 Si1",
"formula_reduced": "Ba4ScSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9910979549999998,
"spacegroup": 216
},
{
"id": "jvasp-64401",
"created_at": "2022-09-04T14:36:07.450890Z",
"updated_at": "2022-09-04T14:36:07.450923Z",
"structure_string": "Ba4 Sc1 Sn1\n1.0\n-0.000000 5.042546 5.042546\n5.042546 -0.000000 5.042546\n5.042546 5.042546 -0.000000\nBa Sc Sn\n4 1 1\ndirect\n0.122560 0.625814 0.625814 Ba\n0.625814 0.625814 0.625814 Ba\n0.625814 0.122560 0.625814 Ba\n0.625814 0.625814 0.122560 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Sn"
],
"chemical_system": "Ba-Sc-Sn",
"density": 4.616822042902899,
"density_atomic": 0.023397618129825926,
"volume": 256.43635889379476,
"volume_molar": 25.738264154005165,
"formula_full": "Ba4 Sc1 Sn1",
"formula_reduced": "Ba4ScSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4415951383333332,
"spacegroup": 216
},
{
"id": "jvasp-66270",
"created_at": "2022-09-04T14:36:10.132842Z",
"updated_at": "2022-09-04T14:36:10.132863Z",
"structure_string": "Ba4 Sc1 Ta1\n1.0\n0.000000 4.944017 4.944017\n4.944017 -0.000000 4.944017\n4.944017 4.944017 0.000000\nBa Sc Ta\n4 1 1\ndirect\n0.123389 0.625538 0.625538 Ba\n0.625538 0.625538 0.625538 Ba\n0.625538 0.123389 0.625538 Ba\n0.625538 0.625538 0.123389 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ta"
],
"chemical_system": "Ba-Sc-Ta",
"density": 5.325980915127616,
"density_atomic": 0.024824550218185644,
"volume": 241.69622197644486,
"volume_molar": 24.25881116503927,
"formula_full": "Ba4 Sc1 Ta1",
"formula_reduced": "Ba4ScTa",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.737796388333333,
"spacegroup": 216
},
{
"id": "jvasp-64613",
"created_at": "2022-09-04T14:35:59.282971Z",
"updated_at": "2022-09-04T14:35:59.282991Z",
"structure_string": "Ba4 Sc1 Te1\n1.0\n0.000000 5.106217 5.106217\n5.106217 -0.000000 5.106217\n5.106217 5.106217 0.000000\nBa Sc Te\n4 1 1\ndirect\n0.123749 0.625417 0.625417 Ba\n0.625417 0.625417 0.625417 Ba\n0.625417 0.123749 0.625417 Ba\n0.625417 0.625417 0.123749 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Te"
],
"chemical_system": "Ba-Sc-Te",
"density": 4.5017008444069795,
"density_atomic": 0.022533230186299946,
"volume": 266.273408223911,
"volume_molar": 26.725599082822235,
"formula_full": "Ba4 Sc1 Te1",
"formula_reduced": "Ba4ScTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5071111494444444,
"spacegroup": 216
},
{
"id": "jvasp-116714",
"created_at": "2022-09-04T14:38:44.370602Z",
"updated_at": "2022-09-04T14:38:44.370630Z",
"structure_string": "Ba4 Sc1 Ti4 Bi1 O15\n1.0\n14.475448 -0.001132 0.000000\n-13.345411 5.607013 0.000000\n-0.000000 -0.000000 4.026793\nBa Sc Ti Bi O\n4 1 4 1 15\ndirect\n0.599984 0.400016 -0.000000 Ba\n0.200021 0.799979 -0.000000 Ba\n0.799979 0.200021 -0.000000 Ba\n0.400016 0.599984 -0.000000 Ba\n0.500000 0.500000 0.500000 Sc\n0.099652 0.900347 0.500000 Ti\n0.699970 0.300030 0.500000 Ti\n0.300030 0.699970 0.500000 Ti\n0.900348 0.099653 0.500000 Ti\n0.000000 0.000000 0.000000 Bi\n0.402040 0.102133 0.500000 O\n0.819874 0.720135 0.500000 O\n0.180126 0.279865 0.500000 O\n0.500000 0.000000 0.500000 O\n0.897867 0.597960 0.500000 O\n0.279865 0.180126 0.500000 O\n0.098003 0.901997 -0.000000 O\n0.102133 0.402040 0.500000 O\n0.299906 0.700094 -0.000000 O\n0.700094 0.299906 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.901997 0.098003 -0.000000 O\n0.720135 0.819874 0.500000 O\n0.597960 0.897867 0.500000 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Ba",
"Sc",
"Ti",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Sc-Ti",
"density": 6.274363440575262,
"density_atomic": 0.07650643572502186,
"volume": 326.7698954092513,
"volume_molar": 7.8714172251399575,
"formula_full": "Ba4 Sc1 Ti4 Bi1 O15",
"formula_reduced": "Ba4ScTi4BiO15",
"formula_anonymous": "ABC4D4E15",
"energy_above_hull": 2.6330199705333333,
"spacegroup": 65
},
{
"id": "jvasp-64762",
"created_at": "2022-09-04T14:36:08.237509Z",
"updated_at": "2022-09-04T14:36:08.237529Z",
"structure_string": "Ba4 Sc1 Tl1\n1.0\n-0.000000 5.101728 5.101728\n5.101728 -0.000000 5.101728\n5.101728 5.101728 -0.000000\nBa Sc Tl\n4 1 1\ndirect\n0.123944 0.625353 0.625353 Ba\n0.625353 0.625353 0.625353 Ba\n0.625353 0.123944 0.625353 Ba\n0.625353 0.625353 0.123944 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Tl"
],
"chemical_system": "Ba-Sc-Tl",
"density": 4.99369692270488,
"density_atomic": 0.02259276336773849,
"volume": 265.5717630614299,
"volume_molar": 26.655175650621658,
"formula_full": "Ba4 Sc1 Tl1",
"formula_reduced": "Ba4ScTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2587569549999999,
"spacegroup": 216
},
{
"id": "jvasp-64255",
"created_at": "2022-09-04T14:38:11.931343Z",
"updated_at": "2022-09-04T14:38:11.931363Z",
"structure_string": "Ba4 Sc1 V1\n1.0\n0.000000 4.945584 4.945584\n4.945584 0.000000 4.945584\n4.945584 4.945584 0.000000\nBa Sc V\n4 1 1\ndirect\n0.123200 0.625600 0.625600 Ba\n0.625600 0.625600 0.625600 Ba\n0.625600 0.123200 0.625600 Ba\n0.625600 0.625600 0.123200 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"V"
],
"chemical_system": "Ba-Sc-V",
"density": 4.428578582119955,
"density_atomic": 0.024800960842650842,
"volume": 241.92611076912988,
"volume_molar": 24.2818848761842,
"formula_full": "Ba4 Sc1 V1",
"formula_reduced": "Ba4ScV",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3058055549999998,
"spacegroup": 216
},
{
"id": "jvasp-66446",
"created_at": "2022-09-04T14:35:43.443830Z",
"updated_at": "2022-09-04T14:35:43.443856Z",
"structure_string": "Ba4 Sc1 W1\n1.0\n0.000000 4.796346 4.796346\n4.796346 -0.000000 4.796346\n4.796346 4.796346 -0.000000\nBa Sc W\n4 1 1\ndirect\n0.122495 0.625835 0.625835 Ba\n0.625835 0.625835 0.625835 Ba\n0.625835 0.122495 0.625835 Ba\n0.625835 0.625835 0.122495 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"W"
],
"chemical_system": "Ba-Sc-W",
"density": 5.85497690296099,
"density_atomic": 0.02718878123442582,
"volume": 220.67925547184643,
"volume_molar": 22.149358987724327,
"formula_full": "Ba4 Sc1 W1",
"formula_reduced": "Ba4ScW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.998989855,
"spacegroup": 216
},
{
"id": "jvasp-64228",
"created_at": "2022-09-04T14:36:18.955381Z",
"updated_at": "2022-09-04T14:36:18.955413Z",
"structure_string": "Ba4 Sc1 Zn1\n1.0\n-0.000000 5.121536 5.121536\n5.121536 0.000000 5.121536\n5.121536 5.121536 0.000000\nBa Sc Zn\n4 1 1\ndirect\n0.124739 0.625088 0.625088 Ba\n0.625088 0.625088 0.625088 Ba\n0.625088 0.124739 0.625088 Ba\n0.625088 0.625088 0.124739 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Zn"
],
"chemical_system": "Ba-Sc-Zn",
"density": 4.077059631808041,
"density_atomic": 0.022331637287068103,
"volume": 268.67712039522087,
"volume_molar": 26.96685730019145,
"formula_full": "Ba4 Sc1 Zn1",
"formula_reduced": "Ba4ScZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1118282549999998,
"spacegroup": 216
},
{
"id": "jvasp-112376",
"created_at": "2022-09-04T14:38:40.492041Z",
"updated_at": "2022-09-04T14:38:40.492072Z",
"structure_string": "Ba4 Sc2 Cu2 O9\n1.0\n8.501325 0.012032 2.981419\n6.462183 5.533967 2.905455\n-0.006587 0.017838 5.886874\nBa Sc Cu O\n4 2 2 9\ndirect\n0.877905 0.385486 0.122095 Ba\n0.385486 0.877905 0.614513 Ba\n0.614514 0.122095 0.385486 Ba\n0.122094 0.614514 0.877904 Ba\n0.500000 -0.000000 -0.000000 Sc\n-0.000001 0.500000 0.499999 Sc\n0.731063 0.268937 0.731063 Cu\n0.268936 0.731064 0.268936 Cu\n0.250000 0.250000 0.250000 O\n0.256288 0.256289 0.743711 O\n0.743711 0.743712 0.256288 O\n0.882720 0.341516 0.658484 O\n0.658484 0.117280 0.882720 O\n0.341515 0.882721 0.117279 O\n0.750000 0.750000 0.749999 O\n0.117279 0.658485 0.341515 O\n0.500000 0.500000 0.499999 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Sc",
"density": 5.46674775033548,
"density_atomic": 0.06148104650487227,
"volume": 276.507980368434,
"volume_molar": 9.795117523776623,
"formula_full": "Ba4 Sc2 Cu2 O9",
"formula_reduced": "Ba4Sc2Cu2O9",
"formula_anonymous": "A2B2C4D9",
"energy_above_hull": 1.689032163529412,
"spacegroup": 69
},
{
"id": "jvasp-21589",
"created_at": "2022-09-04T14:37:05.040906Z",
"updated_at": "2022-09-04T14:37:05.040929Z",
"structure_string": "Ba4 Sc2 Ir2 O12\n1.0\n-0.000000 5.804611 -0.000050\n5.804663 -0.000000 -0.000000\n0.000000 -5.804429 -8.208890\nBa Sc Ir O\n4 2 2 12\ndirect\n0.250001 0.500024 0.749990 Ba\n0.749999 0.499975 0.250010 Ba\n0.749999 0.000024 0.750010 Ba\n0.250001 -0.000024 0.249990 Ba\n0.000000 0.500000 -0.000000 Sc\n-0.000000 -0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.743407 0.256629 0.500007 O\n0.256593 0.756629 -0.000007 O\n0.256596 0.243396 0.999971 O\n0.743404 0.743395 0.500029 O\n0.743404 0.756604 0.000029 O\n0.256644 -0.000010 0.756613 O\n0.743356 0.000010 0.243387 O\n0.256644 0.500010 0.256613 O\n0.743407 0.243371 0.000007 O\n0.743356 0.499989 0.743387 O\n0.256596 0.256604 0.499971 O\n0.256593 0.743371 0.499993 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Sc",
"density": 7.298258351696776,
"density_atomic": 0.07230907114657055,
"volume": 276.5904703638079,
"volume_molar": 8.328333727027298,
"formula_full": "Ba4 Sc2 Ir2 O12",
"formula_reduced": "Ba2ScIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.278112929,
"spacegroup": 225
}
]
}