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=-density_atomic&page=4496",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4494",
"results": [
{
"id": "jvasp-66600",
"created_at": "2022-09-04T14:36:18.976553Z",
"updated_at": "2022-09-04T14:36:18.976573Z",
"structure_string": "Ba1 In1 Sn1\n1.0\n0.000000 3.944260 3.944260\n3.944260 -0.000000 3.944260\n3.944260 3.944260 -0.000000\nBa In Sn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"In",
"Sn"
],
"chemical_system": "Ba-In-Sn",
"density": 5.017953524653737,
"density_atomic": 0.02444525957291603,
"volume": 122.72318037988154,
"volume_molar": 24.6352088920839,
"formula_full": "Ba1 In1 Sn1",
"formula_reduced": "BaInSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-846",
"created_at": "2022-09-04T14:37:55.265166Z",
"updated_at": "2022-09-04T14:37:55.265181Z",
"structure_string": "Ca2\n1.0\n1.927571 -3.338650 0.000000\n1.927571 3.338650 0.000000\n0.000000 0.000000 6.356718\nCa\n2\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750000 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6268252932043916,
"density_atomic": 0.024444759995485656,
"volume": 81.8171256485787,
"volume_molar": 24.635712361717356,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.00583042,
"spacegroup": 194
},
{
"id": "jvasp-14613",
"created_at": "2022-09-04T14:36:47.789079Z",
"updated_at": "2022-09-04T14:36:47.789096Z",
"structure_string": "Ca2\n1.0\n1.927734 -3.338933 0.000000\n1.927734 3.338933 0.000000\n0.000000 -0.000000 6.356116\nCa\n2\ndirect\n0.333332 0.666666 0.250000 Ca\n0.666666 0.333332 0.750001 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6267039161097945,
"density_atomic": 0.024442936177059196,
"volume": 81.8232304626762,
"volume_molar": 24.637550564207796,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.00583042,
"spacegroup": 194
},
{
"id": "jvasp-109834",
"created_at": "2022-09-04T14:38:06.988615Z",
"updated_at": "2022-09-04T14:38:06.988642Z",
"structure_string": "K2 Li1 Y1 I6\n1.0\n7.216502 -0.000000 4.166449\n2.405501 6.803783 4.166449\n-0.000000 -0.000000 8.332898\nK Li Y I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.746251 0.253749 0.253749 I\n0.253749 0.253749 0.746251 I\n0.253749 0.746251 0.746251 I\n0.253749 0.746251 0.253749 I\n0.746251 0.253749 0.746251 I\n0.746251 0.746251 0.253749 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Y",
"I"
],
"chemical_system": "I-K-Li-Y",
"density": 3.7966960581612716,
"density_atomic": 0.024441437452721735,
"volume": 409.14123890395103,
"volume_molar": 24.63906131400381,
"formula_full": "K2 Li1 Y1 I6",
"formula_reduced": "K2LiYI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-79510",
"created_at": "2022-09-04T14:37:17.241142Z",
"updated_at": "2022-09-04T14:37:17.241174Z",
"structure_string": "Ca4\n1.0\n0.000000 -0.000000 -3.855611\n0.000000 -6.355880 -0.000000\n-6.678535 0.000000 0.000000\nCa\n4\ndirect\n0.500178 0.750000 0.333408 Ca\n0.499822 0.250000 0.666591 Ca\n0.000178 0.250000 0.166592 Ca\n-0.000178 0.750000 0.833408 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.626541032810615,
"density_atomic": 0.024440488684281485,
"volume": 163.66284863086787,
"volume_molar": 24.64001779094149,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.00617042,
"spacegroup": 194
},
{
"id": "jvasp-66639",
"created_at": "2022-09-04T14:35:41.348654Z",
"updated_at": "2022-09-04T14:35:41.348684Z",
"structure_string": "Ba4 Sc1 Fe1\n1.0\n0.000000 4.970179 4.970179\n4.970179 -0.000000 4.970179\n4.970179 4.970179 -0.000000\nBa Sc Fe\n4 1 1\ndirect\n0.127353 0.624216 0.624216 Ba\n0.624216 0.624216 0.624216 Ba\n0.624216 0.127353 0.624216 Ba\n0.624216 0.624216 0.127353 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Fe"
],
"chemical_system": "Ba-Fe-Sc",
"density": 4.396318328406283,
"density_atomic": 0.02443459609910392,
"volume": 245.55347572207407,
"volume_molar": 24.645959915092877,
"formula_full": "Ba4 Sc1 Fe1",
"formula_reduced": "Ba4ScFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1373241049999998,
"spacegroup": 216
},
{
"id": "jvasp-105127",
"created_at": "2022-09-04T14:36:52.366956Z",
"updated_at": "2022-09-04T14:36:52.366973Z",
"structure_string": "Ca3 Ac1\n1.0\n5.317926 -0.000000 3.070306\n1.772642 5.013789 3.070306\n-0.000000 -0.000000 6.140612\nCa Ac\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750001 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ac"
],
"chemical_system": "Ac-Ca",
"density": 3.521691757112766,
"density_atomic": 0.024430929554126474,
"volume": 163.7268852639455,
"volume_molar": 24.649658731396237,
"formula_full": "Ca3 Ac1",
"formula_reduced": "Ca3Ac",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-64177",
"created_at": "2022-09-04T14:36:18.239376Z",
"updated_at": "2022-09-04T14:36:18.239397Z",
"structure_string": "Ba4 Tl1 Se1\n1.0\n-0.000000 4.970457 4.970457\n4.970457 -0.000000 4.970457\n4.970457 4.970457 0.000000\nBa Tl Se\n4 1 1\ndirect\n0.128032 0.623990 0.623990 Ba\n0.623990 0.623990 0.623990 Ba\n0.623990 0.128032 0.623990 Ba\n0.623990 0.623990 0.128032 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Se"
],
"chemical_system": "Ba-Se-Tl",
"density": 5.629804361828805,
"density_atomic": 0.024430496413020444,
"volume": 245.59468209586802,
"volume_molar": 24.650095758146154,
"formula_full": "Ba4 Tl1 Se1",
"formula_reduced": "Ba4TlSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0017113183333333,
"spacegroup": 216
},
{
"id": "jvasp-64769",
"created_at": "2022-09-04T14:36:12.009066Z",
"updated_at": "2022-09-04T14:36:12.009091Z",
"structure_string": "K1 Ba4 Os1\n1.0\n0.000000 4.970795 4.970795\n4.970795 -0.000000 4.970795\n4.970795 4.970795 0.000000\nK Ba Os\n1 4 1\ndirect\n0.250000 0.250000 0.250000 K\n0.117664 0.627446 0.627446 Ba\n0.627446 0.627446 0.627446 Ba\n0.627446 0.117664 0.627446 Ba\n0.627446 0.627446 0.117664 Ba\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ba",
"Os"
],
"chemical_system": "Ba-K-Os",
"density": 5.263518939717019,
"density_atomic": 0.024425513137922704,
"volume": 245.64478814099039,
"volume_molar": 24.65512485242371,
"formula_full": "K1 Ba4 Os1",
"formula_reduced": "KBa4Os",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9357561466666666,
"spacegroup": 216
},
{
"id": "jvasp-66179",
"created_at": "2022-09-04T14:36:10.514999Z",
"updated_at": "2022-09-04T14:36:10.515018Z",
"structure_string": "Ba1 Li1 Pb1\n1.0\n0.000000 3.945492 3.945492\n3.945492 0.000000 3.945492\n3.945492 3.945492 0.000000\nBa Li Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Pb"
],
"chemical_system": "Ba-Li-Pb",
"density": 4.751178975685145,
"density_atomic": 0.024422367251712544,
"volume": 122.83821502969309,
"volume_molar": 24.65830072053198,
"formula_full": "Ba1 Li1 Pb1",
"formula_reduced": "BaLiPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.24115893,
"spacegroup": 216
},
{
"id": "jvasp-5374",
"created_at": "2022-09-04T14:37:39.151083Z",
"updated_at": "2022-09-04T14:37:39.151107Z",
"structure_string": "Bi8 I8\n1.0\n4.425878 0.000000 0.000000\n-2.212939 7.312431 -0.326854\n0.000000 0.148597 20.239782\nBi I\n8 8\ndirect\n0.745676 0.491351 0.393348 Bi\n0.254324 0.508649 0.606652 Bi\n-0.004624 -0.009250 0.895691 Bi\n0.004625 0.009250 0.104309 Bi\n0.301178 0.602355 0.757271 Bi\n0.698822 0.397645 0.242729 Bi\n0.944682 0.889362 0.745690 Bi\n0.055319 0.110638 0.254310 Bi\n0.609340 0.218681 0.634309 I\n0.390660 0.781319 0.365692 I\n0.891170 0.782340 0.559944 I\n0.108830 0.217660 0.440056 I\n0.634133 0.268265 0.852404 I\n0.365867 0.731735 0.147596 I\n0.358467 0.716934 0.942161 I\n0.641533 0.283066 0.057839 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"I"
],
"chemical_system": "Bi-I",
"density": 6.809574533152227,
"density_atomic": 0.02441801940559309,
"volume": 655.2537998366529,
"volume_molar": 24.66269135088243,
"formula_full": "Bi8 I8",
"formula_reduced": "BiI",
"formula_anonymous": "AB",
"energy_above_hull": 0.1329397666666666,
"spacegroup": 12
},
{
"id": "jvasp-37924",
"created_at": "2022-09-04T14:38:04.723635Z",
"updated_at": "2022-09-04T14:38:04.723663Z",
"structure_string": "Ba6 Te2\n1.0\n3.912739 -6.777063 0.000000\n3.912739 6.777063 -0.000000\n0.000000 0.000000 6.177908\nBa Te\n6 2\ndirect\n0.645025 0.822512 0.750000 Ba\n0.177488 0.354975 0.750000 Ba\n0.177488 0.822512 0.750000 Ba\n0.354975 0.177488 0.250000 Ba\n0.822512 0.645025 0.250000 Ba\n0.822512 0.177488 0.250000 Ba\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Te"
],
"chemical_system": "Ba-Te",
"density": 5.469427973062416,
"density_atomic": 0.024417216426705843,
"volume": 327.6376741801805,
"volume_molar": 24.66350240240081,
"formula_full": "Ba6 Te2",
"formula_reduced": "Ba3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 0.254067985,
"spacegroup": 194
}
]
}