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=1523",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1521",
"results": [
{
"id": "jvasp-117264",
"created_at": "2022-09-04T14:38:47.054319Z",
"updated_at": "2022-09-04T14:38:47.054336Z",
"structure_string": "Na4 V4 O12\n1.0\n3.615116 -0.000000 0.000000\n0.000000 5.267566 0.000000\n-0.000000 -0.000000 14.363307\nNa V O\n4 4 12\ndirect\n0.250000 0.866408 0.330294 Na\n0.750001 0.133592 0.669706 Na\n0.750001 0.366408 0.169706 Na\n0.250000 0.633593 0.830294 Na\n0.750001 0.089163 0.915498 V\n0.250000 0.910837 0.084502 V\n0.250000 0.589164 0.584502 V\n0.750001 0.410837 0.415498 V\n0.250000 0.600932 0.103934 O\n0.250000 0.899069 0.603934 O\n0.750001 0.935601 0.812632 O\n0.750001 0.564400 0.312632 O\n0.750001 -0.006504 0.052505 O\n0.750001 0.100932 0.396067 O\n0.750001 0.506504 0.552505 O\n0.250000 0.493496 0.447495 O\n0.250000 0.064399 0.187368 O\n0.250000 0.435601 0.687368 O\n0.750001 0.399068 0.896067 O\n0.250000 0.006504 0.947495 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.9609502200478914,
"density_atomic": 0.07312120326586351,
"volume": 273.51847489819636,
"volume_molar": 8.235833781487326,
"formula_full": "Na4 V4 O12",
"formula_reduced": "NaVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.82599474,
"spacegroup": 62
},
{
"id": "jvasp-120287",
"created_at": "2022-09-04T14:38:47.061087Z",
"updated_at": "2022-09-04T14:38:47.061104Z",
"structure_string": "Li1 Nb1 Se1\n1.0\n2.790008 0.000000 0.000000\n0.000000 2.790008 -0.000000\n-0.000000 -0.000000 7.770930\nLi Nb Se\n1 1 1\ndirect\n0.000000 0.000000 0.322732 Li\n0.000000 0.000000 0.675018 Nb\n0.000000 0.000000 0.010340 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Nb",
"Se"
],
"chemical_system": "Li-Nb-Se",
"density": 4.9085208842915105,
"density_atomic": 0.04959493903241306,
"volume": 60.490043107812525,
"volume_molar": 12.142651805790496,
"formula_full": "Li1 Nb1 Se1",
"formula_reduced": "LiNbSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.318144255555556,
"spacegroup": 99
},
{
"id": "jvasp-116912",
"created_at": "2022-09-04T14:38:47.038000Z",
"updated_at": "2022-09-04T14:38:47.038028Z",
"structure_string": "Ca9 Sn3 S15\n1.0\n8.483499 0.071715 3.428696\n3.663908 7.651841 3.428696\n0.449990 0.286112 11.338382\nCa Sn S\n9 3 15\ndirect\n0.269451 0.770960 0.644162 Ca\n0.301428 0.301428 0.703351 Ca\n0.692723 0.692723 0.383382 Ca\n0.984665 0.559818 0.001743 Ca\n0.522873 0.522873 -0.032058 Ca\n0.282062 0.708155 0.293439 Ca\n0.708155 0.282063 0.293439 Ca\n0.770960 0.269451 0.644162 Ca\n0.559818 0.984665 0.001743 Ca\n0.000539 0.000539 -0.014681 Sn\n0.221661 0.221661 0.380400 Sn\n0.793009 0.793009 0.622764 Sn\n0.369823 0.369823 0.902551 S\n0.830996 0.830997 0.135505 S\n0.625009 0.625009 0.673991 S\n0.295228 0.865229 0.011857 S\n0.865229 0.295228 0.011857 S\n0.629170 0.629170 0.123136 S\n0.485194 0.485194 0.497387 S\n-0.057354 -0.057354 0.820190 S\n0.389522 0.389522 0.241136 S\n0.927154 0.353100 0.355055 S\n0.353099 0.927154 0.355055 S\n0.033662 0.613254 0.724532 S\n0.883210 0.883210 0.383755 S\n0.165962 0.165962 0.616220 S\n0.613254 0.033662 0.724532 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.775530535856609,
"density_atomic": 0.03767678437029836,
"volume": 716.6216663990264,
"volume_molar": 15.98369091378037,
"formula_full": "Ca9 Sn3 S15",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.954610328888889,
"spacegroup": 8
},
{
"id": "jvasp-120589",
"created_at": "2022-09-04T14:38:47.059237Z",
"updated_at": "2022-09-04T14:38:47.059263Z",
"structure_string": "Cu2 Ni4 O8\n1.0\n5.772485 -0.000000 0.000000\n-2.886243 4.081763 2.886243\n-0.000000 -0.000000 5.772485\nCu Ni O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.500000 0.250000 Cu\n0.625001 0.250000 0.125000 Ni\n0.625001 0.250000 0.625001 Ni\n0.625001 0.749999 0.625000 Ni\n0.125000 0.749999 0.625000 Ni\n0.835220 0.223479 0.388261 O\n0.388261 0.223479 0.388261 O\n0.861740 0.276521 0.861740 O\n0.861740 0.723478 0.414781 O\n0.414782 0.276521 0.861740 O\n0.861740 0.723478 0.861740 O\n0.388261 0.776520 0.388261 O\n0.388261 0.776520 0.835220 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 5.98064981827492,
"density_atomic": 0.10293299867250665,
"volume": 136.01080489787958,
"volume_molar": 5.850544371256631,
"formula_full": "Cu2 Ni4 O8",
"formula_reduced": "Cu(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7045398928571425,
"spacegroup": 227
},
{
"id": "jvasp-120289",
"created_at": "2022-09-04T14:38:47.103466Z",
"updated_at": "2022-09-04T14:38:47.103495Z",
"structure_string": "Li1 Nb1 Se2\n1.0\n1.780686 1.028080 6.837533\n-1.780686 1.028080 6.837533\n0.000000 -2.056159 6.837533\nLi Nb Se\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 Nb\n0.749575 0.749575 0.749575 Se\n0.250424 0.250424 0.250424 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nb",
"Se"
],
"chemical_system": "Li-Nb-Se",
"density": 5.699178442037161,
"density_atomic": 0.053259267803654566,
"volume": 75.10429949481068,
"volume_molar": 11.30721658097367,
"formula_full": "Li1 Nb1 Se2",
"formula_reduced": "LiNbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9947615333333333,
"spacegroup": 166
},
{
"id": "jvasp-114103",
"created_at": "2022-09-04T14:38:47.265880Z",
"updated_at": "2022-09-04T14:38:47.265897Z",
"structure_string": "Mg1 Ag1 O1\n1.0\n3.073819 0.000000 -0.000000\n-0.000000 3.073819 0.000000\n-0.000000 -0.000000 6.397131\nMg Ag O\n1 1 1\ndirect\n0.000000 0.000000 -0.013217 Mg\n0.000000 0.000000 0.388097 Ag\n0.000000 0.000000 0.706493 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"O"
],
"chemical_system": "Ag-Mg-O",
"density": 4.070756952377266,
"density_atomic": 0.049634017440679835,
"volume": 60.44241741232118,
"volume_molar": 12.133091517722434,
"formula_full": "Mg1 Ag1 O1",
"formula_reduced": "MgAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3371066033333334,
"spacegroup": 99
},
{
"id": "jvasp-115561",
"created_at": "2022-09-04T14:38:47.069618Z",
"updated_at": "2022-09-04T14:38:47.069652Z",
"structure_string": "Ba1 Tl1 Cl1\n1.0\n0.000000 3.920264 3.920264\n3.920264 0.000000 3.920264\n3.920264 3.920264 -0.000000\nBa Tl Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.499999 0.499999 0.499999 Tl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Cl"
],
"chemical_system": "Ba-Cl-Tl",
"density": 5.197596788741146,
"density_atomic": 0.024896902338859595,
"volume": 120.49691801688672,
"volume_molar": 24.1883133814624,
"formula_full": "Ba1 Tl1 Cl1",
"formula_reduced": "BaTlCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0464658333333333,
"spacegroup": 216
},
{
"id": "jvasp-116919",
"created_at": "2022-09-04T14:38:47.070806Z",
"updated_at": "2022-09-04T14:38:47.070845Z",
"structure_string": "Al4 Hg2 S8\n1.0\n6.361134 -0.000000 3.672602\n2.120378 5.997335 3.672602\n0.000000 -0.000000 7.345205\nAl Hg S\n4 2 8\ndirect\n0.125000 0.625000 0.624999 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.624999 Al\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.828640 0.390453 0.390453 S\n0.390454 0.828640 0.390453 S\n0.390453 0.390453 0.828640 S\n0.390453 0.390453 0.390453 S\n0.421360 0.859546 0.859546 S\n0.859546 0.421359 0.859546 S\n0.859547 0.859546 0.421359 S\n0.859547 0.859546 0.859546 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Hg",
"S"
],
"chemical_system": "Al-Hg-S",
"density": 4.537003188565374,
"density_atomic": 0.04996101603314323,
"volume": 280.2184805591755,
"volume_molar": 12.053679524861987,
"formula_full": "Al4 Hg2 S8",
"formula_reduced": "Al2HgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3824271714285716,
"spacegroup": 227
},
{
"id": "jvasp-117008",
"created_at": "2022-09-04T14:38:47.071494Z",
"updated_at": "2022-09-04T14:38:47.071519Z",
"structure_string": "Nb1 Al2 Ni9\n1.0\n3.608229 0.000000 0.000000\n0.000000 3.608229 0.000000\n-0.000000 -0.000000 10.662668\nNb Al Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.339923 Al\n0.000000 0.000000 0.660078 Al\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.336662 Ni\n0.500000 0.500000 0.663338 Ni\n0.500000 0.000000 0.172307 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.827693 Ni\n-0.000000 0.500000 0.172307 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.827693 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Ni"
],
"chemical_system": "Al-Nb-Ni",
"density": 8.075503373967893,
"density_atomic": 0.08644247116281122,
"volume": 138.82064960172693,
"volume_molar": 6.966645769135313,
"formula_full": "Nb1 Al2 Ni9",
"formula_reduced": "NbAl2Ni9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.8148097166666668,
"spacegroup": 123
},
{
"id": "jvasp-114047",
"created_at": "2022-09-04T14:38:47.077940Z",
"updated_at": "2022-09-04T14:38:47.077961Z",
"structure_string": "Ba1 Sb1 I1\n1.0\n6.201977 0.000000 -0.000000\n-3.100989 5.371070 0.000000\n-0.000000 -0.000000 3.829396\nBa Sb I\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.000000 Sb\n0.333333 0.666667 0.000000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"I"
],
"chemical_system": "Ba-I-Sb",
"density": 5.024647061460407,
"density_atomic": 0.02351797972418291,
"volume": 127.56197748207003,
"volume_molar": 25.60653946736587,
"formula_full": "Ba1 Sb1 I1",
"formula_reduced": "BaSbI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.183160345,
"spacegroup": 187
},
{
"id": "jvasp-115571",
"created_at": "2022-09-04T14:38:47.114077Z",
"updated_at": "2022-09-04T14:38:47.114103Z",
"structure_string": "Ba1 Sn1 F1\n1.0\n5.558715 0.000000 0.000000\n-2.779358 4.813989 -0.000000\n0.000000 -0.000000 3.655653\nBa Sn F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.000000 Sn\n0.333334 0.666668 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"F"
],
"chemical_system": "Ba-F-Sn",
"density": 4.668670583109175,
"density_atomic": 0.03066738801203627,
"volume": 97.8237859325537,
"volume_molar": 19.63695361873154,
"formula_full": "Ba1 Sn1 F1",
"formula_reduced": "BaSnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1274362783333333,
"spacegroup": 187
},
{
"id": "jvasp-115585",
"created_at": "2022-09-04T14:38:47.118370Z",
"updated_at": "2022-09-04T14:38:47.118386Z",
"structure_string": "Ba2 Zr1 O3\n1.0\n-1.970250 2.127508 6.918195\n1.970250 -2.127508 6.918195\n1.970250 2.127508 -6.918195\nBa Zr O\n2 1 3\ndirect\n0.649347 0.649347 0.000000 Ba\n0.350654 0.350654 0.000000 Ba\n0.000000 0.000000 0.000000 Zr\n0.848353 0.848353 0.000000 O\n0.151647 0.151647 0.000000 O\n0.500001 0.000000 0.500001 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 5.924807193381293,
"density_atomic": 0.0517256458429834,
"volume": 115.99661835472088,
"volume_molar": 11.642466056935481,
"formula_full": "Ba2 Zr1 O3",
"formula_reduced": "Ba2ZrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.565007823333333,
"spacegroup": 71
}
]
}