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=volume_molar&page=4585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4583",
"results": [
{
"id": "jvasp-106492",
"created_at": "2022-09-04T14:36:57.070475Z",
"updated_at": "2022-09-04T14:36:57.070502Z",
"structure_string": "Ba3 Y1\n1.0\n5.298472 -0.066436 -4.687082\n-1.118570 5.179481 -4.687082\n0.054312 0.066436 7.073867\nBa Y\n3 1\ndirect\n0.749999 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Y"
],
"chemical_system": "Ba-Y",
"density": 4.223360971181945,
"density_atomic": 0.02031091393797806,
"volume": 196.93845447893213,
"volume_molar": 29.649777348224546,
"formula_full": "Ba3 Y1",
"formula_reduced": "Ba3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5857583399999999,
"spacegroup": 139
},
{
"id": "jvasp-91776",
"created_at": "2022-09-04T14:35:54.633997Z",
"updated_at": "2022-09-04T14:35:54.634014Z",
"structure_string": "K6 Mn2\n1.0\n-8.104829 -0.000000 0.000000\n0.000000 8.104829 0.000000\n4.052414 -4.052414 -5.997443\nK Mn\n6 2\ndirect\n0.290614 0.209387 0.000000 K\n0.709387 0.790614 0.000000 K\n0.209387 0.709387 0.000000 K\n0.790614 0.290614 0.000000 K\n0.750000 0.750000 0.500000 K\n0.250000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Mn"
],
"chemical_system": "K-Mn",
"density": 1.4519159594712692,
"density_atomic": 0.02030655002188589,
"volume": 393.96155385222016,
"volume_molar": 29.65614914157988,
"formula_full": "K6 Mn2",
"formula_reduced": "K3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5265103103448274,
"spacegroup": 140
},
{
"id": "jvasp-69369",
"created_at": "2022-09-04T14:35:44.459937Z",
"updated_at": "2022-09-04T14:35:44.459965Z",
"structure_string": "K2 Ba1 Zn1\n1.0\n4.230659 -0.000000 0.000000\n-0.000000 4.230659 -0.000000\n0.000000 -0.000000 11.013340\nK Ba Zn\n2 1 1\ndirect\n0.000000 0.000000 0.989886 K\n0.500000 0.500000 0.318564 K\n0.500000 0.500000 0.671703 Ba\n0.000000 0.000000 0.519847 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Zn"
],
"chemical_system": "Ba-K-Zn",
"density": 2.3665525132939855,
"density_atomic": 0.020292002218202144,
"volume": 197.1219969812519,
"volume_molar": 29.677410317834852,
"formula_full": "K2 Ba1 Zn1",
"formula_reduced": "K2BaZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-68988",
"created_at": "2022-09-04T14:36:20.990443Z",
"updated_at": "2022-09-04T14:36:20.990470Z",
"structure_string": "K2 Ba1 Zn1\n1.0\n4.230873 -0.000000 0.000000\n0.000000 4.230873 -0.000000\n0.000000 -0.000000 11.015405\nK Ba Zn\n2 1 1\ndirect\n0.000000 0.000000 0.989761 K\n0.500000 0.500000 0.318494 K\n0.500000 0.500000 0.671746 Ba\n0.000000 0.000000 0.520000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Zn"
],
"chemical_system": "Ba-K-Zn",
"density": 2.36586951589687,
"density_atomic": 0.020286145857686403,
"volume": 197.1789036745195,
"volume_molar": 29.685977820760936,
"formula_full": "K2 Ba1 Zn1",
"formula_reduced": "K2BaZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.000000000032756e-06,
"spacegroup": 99
},
{
"id": "jvasp-105722",
"created_at": "2022-09-04T14:36:07.174023Z",
"updated_at": "2022-09-04T14:36:07.174050Z",
"structure_string": "Ba3 Pm1\n1.0\n5.293642 -0.071313 -4.713198\n-1.111768 5.176070 -4.713198\n0.058421 0.071313 7.087558\nBa Pm\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.499999 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Pm"
],
"chemical_system": "Ba-Pm",
"density": 4.689229498372276,
"density_atomic": 0.020280189166166102,
"volume": 197.23681900725515,
"volume_molar": 29.69469717790835,
"formula_full": "Ba3 Pm1",
"formula_reduced": "Ba3Pm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.25901227125,
"spacegroup": 139
},
{
"id": "jvasp-33812",
"created_at": "2022-09-04T14:38:06.461492Z",
"updated_at": "2022-09-04T14:38:06.461530Z",
"structure_string": "Nd2 I6\n1.0\n10.496974 0.000037 -0.000000\n-5.248456 9.090656 -0.000000\n-0.000000 -0.000000 4.134965\nNd I\n2 6\ndirect\n0.666666 0.333334 0.250000 Nd\n0.333333 0.666666 0.749998 Nd\n0.203293 0.406589 0.250000 I\n0.796705 0.203294 0.749998 I\n0.406590 0.203295 0.749998 I\n0.796706 0.593411 0.749998 I\n0.203295 0.796706 0.250000 I\n0.593410 0.796705 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"I"
],
"chemical_system": "I-Nd",
"density": 4.418444882627171,
"density_atomic": 0.020274862607990142,
"volume": 394.5772730833338,
"volume_molar": 29.70249849005994,
"formula_full": "Nd2 I6",
"formula_reduced": "NdI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-90615",
"created_at": "2022-09-04T14:36:13.770006Z",
"updated_at": "2022-09-04T14:36:13.770016Z",
"structure_string": "Sn2 I6\n1.0\n-8.131174 0.000000 0.000000\n-0.000000 8.131174 0.000000\n4.065587 -4.065587 -5.972445\nSn I\n2 6\ndirect\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.335130 0.835130 0.000000 I\n0.664869 0.164869 0.000000 I\n0.164869 0.335130 0.000000 I\n0.835130 0.664869 0.000000 I\n0.749999 0.749999 0.500000 I\n0.250000 0.250000 0.500000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 4.200387141830921,
"density_atomic": 0.020259621088519992,
"volume": 394.8741175881694,
"volume_molar": 29.724843982459348,
"formula_full": "Sn2 I6",
"formula_reduced": "SnI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0526125,
"spacegroup": 140
},
{
"id": "jvasp-110864",
"created_at": "2022-09-04T14:38:37.301610Z",
"updated_at": "2022-09-04T14:38:37.301637Z",
"structure_string": "Sr6 Ca2\n1.0\n8.221964 0.000000 0.000000\n-4.110982 7.120429 0.000000\n-0.000000 -0.000000 6.745340\nSr Ca\n6 2\ndirect\n0.168217 0.336435 0.250000 Sr\n0.663565 0.831783 0.250000 Sr\n0.168218 0.831783 0.250000 Sr\n0.831782 0.663565 0.750000 Sr\n0.336435 0.168217 0.750000 Sr\n0.831782 0.168217 0.750000 Sr\n0.333333 0.666667 0.750000 Ca\n0.666666 0.333333 0.250000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.5476940368018046,
"density_atomic": 0.02025836588124983,
"volume": 394.898583967447,
"volume_molar": 29.726685732208065,
"formula_full": "Sr6 Ca2",
"formula_reduced": "Sr3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0007925,
"spacegroup": 194
},
{
"id": "jvasp-107432",
"created_at": "2022-09-04T14:37:01.808420Z",
"updated_at": "2022-09-04T14:37:01.808439Z",
"structure_string": "Ba6 Y2\n1.0\n8.282687 -0.000000 0.000000\n-4.141343 7.173018 0.000000\n-0.000000 -0.000000 6.661739\nBa Y\n6 2\ndirect\n0.171340 0.342681 0.250000 Ba\n0.657320 0.828660 0.250000 Ba\n0.171341 0.828660 0.250000 Ba\n0.828661 0.657319 0.750000 Ba\n0.342681 0.171340 0.750000 Ba\n0.828660 0.171340 0.750000 Ba\n0.333334 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Y"
],
"chemical_system": "Ba-Y",
"density": 4.202985960264596,
"density_atomic": 0.0202129267907625,
"volume": 395.7863244058291,
"volume_molar": 29.793511955686572,
"formula_full": "Ba6 Y2",
"formula_reduced": "Ba3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5827558399999999,
"spacegroup": 194
},
{
"id": "jvasp-113492",
"created_at": "2022-09-04T14:38:46.165922Z",
"updated_at": "2022-09-04T14:38:46.165961Z",
"structure_string": "Rb1 Cl1\n1.0\n4.503439 0.000000 0.000000\n0.000000 4.503439 -0.000000\n-0.000000 0.000000 4.880690\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb",
"density": 2.0285247745583916,
"density_atomic": 0.020205062705108655,
"volume": 98.98509245874894,
"volume_molar": 29.805107996410033,
"formula_full": "Rb1 Cl1",
"formula_reduced": "RbCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.1263649999999999,
"spacegroup": 123
},
{
"id": "jvasp-100230",
"created_at": "2022-09-04T14:36:39.367798Z",
"updated_at": "2022-09-04T14:36:39.367826Z",
"structure_string": "Sr3 Ca1\n1.0\n5.325773 0.000532 -4.735585\n-1.073180 5.216526 -4.735585\n-0.000434 -0.000532 7.126684\nSr Ca\n3 1\ndirect\n0.750000 0.250000 0.499999 Sr\n0.250000 0.750001 0.500000 Sr\n0.500000 0.500000 -0.000001 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.540980162405716,
"density_atomic": 0.020204979516155748,
"volume": 197.97100001025146,
"volume_molar": 29.805230711492392,
"formula_full": "Sr3 Ca1",
"formula_reduced": "Sr3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0074899999999999,
"spacegroup": 139
},
{
"id": "jvasp-64315",
"created_at": "2022-09-04T14:35:43.798474Z",
"updated_at": "2022-09-04T14:35:43.798493Z",
"structure_string": "K1 Ba1 Nb1\n1.0\n0.000000 4.203504 4.203504\n4.203504 -0.000000 4.203504\n4.203504 4.203504 -0.000000\nK Ba Nb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Nb"
],
"chemical_system": "Ba-K-Nb",
"density": 3.0107323345591723,
"density_atomic": 0.020195604819675632,
"volume": 148.5471728520475,
"volume_molar": 29.81906614716936,
"formula_full": "K1 Ba1 Nb1",
"formula_reduced": "KBaNb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.802111123333333,
"spacegroup": 216
}
]
}