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=formula_anonymous&page=826",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=824",
"results": [
{
"id": "jvasp-7673",
"created_at": "2022-09-04T14:36:58.110997Z",
"updated_at": "2022-09-04T14:36:58.111022Z",
"structure_string": "Pd4 O2\n1.0\n4.506338 0.000000 -0.000000\n0.000000 4.506338 0.000000\n0.000000 -0.000000 4.506338\nPd O\n4 2\ndirect\n0.750000 0.750000 0.250000 Pd\n0.250000 0.750000 0.750000 Pd\n0.750000 0.250000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pd",
"O"
],
"chemical_system": "O-Pd",
"density": 8.304980256220137,
"density_atomic": 0.06556619200530445,
"volume": 91.51057605289304,
"volume_molar": 9.184826166986786,
"formula_full": "Pd4 O2",
"formula_reduced": "Pd2O",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6174583000000005,
"spacegroup": 224
},
{
"id": "jvasp-29631",
"created_at": "2022-09-04T14:36:46.581080Z",
"updated_at": "2022-09-04T14:36:46.581092Z",
"structure_string": "Cd5 I10\n1.0\n4.285450 -0.000000 -0.000000\n-2.142724 3.711308 -0.000000\n-0.000000 0.000000 34.372085\nCd I\n5 10\ndirect\n0.666667 0.333333 0.050043 Cd\n0.333334 0.666667 0.850011 Cd\n0.333334 0.666667 0.449975 Cd\n0.333334 0.666667 0.650037 Cd\n0.333334 0.666667 0.249978 Cd\n0.000000 -0.000000 0.199505 I\n0.666667 0.333333 0.900449 I\n0.333334 0.666667 0.100465 I\n0.666667 0.333333 0.300410 I\n-0.000000 0.000000 -0.000430 I\n0.666667 0.333333 0.500425 I\n0.666667 0.333333 0.700480 I\n0.000000 -0.000000 0.399514 I\n0.000000 -0.000000 0.599581 I\n0.000000 -0.000000 0.799556 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.562010209097735,
"density_atomic": 0.027438600202369223,
"volume": 546.675117876633,
"volume_molar": 21.947696732284506,
"formula_full": "Cd5 I10",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.666666666666483e-05,
"spacegroup": 156
},
{
"id": "jvasp-56756",
"created_at": "2022-09-04T14:37:04.684828Z",
"updated_at": "2022-09-04T14:37:04.684855Z",
"structure_string": "Ta2 V4\n1.0\n4.358482 0.000000 2.516370\n1.452827 4.109216 2.516370\n0.000000 0.000000 5.032742\nTa V\n2 4\ndirect\n0.125000 0.125000 0.125000 Ta\n0.875000 0.875001 0.874999 Ta\n0.500000 0.500000 -0.000000 V\n0.500000 -0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.500000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 10.420943075378242,
"density_atomic": 0.06656598396210732,
"volume": 90.13612723602942,
"volume_molar": 9.046874096277314,
"formula_full": "Ta2 V4",
"formula_reduced": "TaV2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.531775866666667,
"spacegroup": 227
},
{
"id": "jvasp-56178",
"created_at": "2022-09-04T14:37:00.797749Z",
"updated_at": "2022-09-04T14:37:00.797776Z",
"structure_string": "Te8 Ir4\n1.0\n4.048016 -0.000000 0.000000\n0.000000 5.463454 0.000000\n0.000000 0.000000 13.580964\nTe Ir\n8 4\ndirect\n0.250000 0.761994 0.950571 Te\n0.250000 0.738005 0.450571 Te\n0.250000 0.293800 0.807150 Te\n0.750001 0.261994 0.549429 Te\n0.750001 0.238005 0.049429 Te\n0.750001 0.706200 0.192850 Te\n0.250000 0.206200 0.307150 Te\n0.750001 0.793799 0.692850 Te\n0.750001 0.485536 0.366268 Ir\n0.750001 0.014464 0.866268 Ir\n0.250000 0.985535 0.133732 Ir\n0.250000 0.514463 0.633731 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.894217681767193,
"density_atomic": 0.03995224026597604,
"volume": 300.3586262024808,
"volume_molar": 15.073349378929699,
"formula_full": "Te8 Ir4",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.823855544444444,
"spacegroup": 62
},
{
"id": "jvasp-16923",
"created_at": "2022-09-04T14:37:00.810857Z",
"updated_at": "2022-09-04T14:37:00.810875Z",
"structure_string": "W2 O4\n1.0\n1.497312 -2.593421 0.000000\n1.497312 2.593421 -0.000000\n0.000000 -0.000000 10.986908\nW O\n2 4\ndirect\n0.666666 0.333332 0.250000 W\n0.333332 0.666666 0.750000 W\n0.333332 0.666666 0.586728 O\n0.666666 0.333332 0.086728 O\n0.333332 0.666666 0.913273 O\n0.666666 0.333332 0.413272 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 8.400744938342896,
"density_atomic": 0.07031701694742756,
"volume": 85.32785178424012,
"volume_molar": 8.564272236551853,
"formula_full": "W2 O4",
"formula_reduced": "WO2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.715419,
"spacegroup": 194
},
{
"id": "jvasp-4385",
"created_at": "2022-09-04T14:37:04.566485Z",
"updated_at": "2022-09-04T14:37:04.566508Z",
"structure_string": "Nd2 Ge4\n1.0\n3.977123 -0.000000 -1.156069\n-0.336046 3.962901 -1.156069\n0.364546 0.396768 8.673229\nNd Ge\n2 4\ndirect\n0.874999 0.625000 0.250000 Nd\n0.125000 0.375000 0.750000 Nd\n0.704462 0.954463 0.908924 Ge\n0.454462 0.204463 0.408924 Ge\n0.545537 0.795538 0.591076 Ge\n0.295537 0.045538 0.091076 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Ge"
],
"chemical_system": "Ge-Nd",
"density": 6.851064896857719,
"density_atomic": 0.04275123532480776,
"volume": 140.3468216629125,
"volume_molar": 14.086471921211272,
"formula_full": "Nd2 Ge4",
"formula_reduced": "NdGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7528011333333332,
"spacegroup": 141
},
{
"id": "jvasp-14957",
"created_at": "2022-09-04T14:36:46.427084Z",
"updated_at": "2022-09-04T14:36:46.427107Z",
"structure_string": "Zr4 Al2\n1.0\n2.459313 -4.259654 0.000000\n2.459313 4.259654 0.000000\n-0.000000 0.000000 5.918262\nZr Al\n4 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333333 0.666666 0.250000 Zr\n0.666666 0.333333 0.750000 Zr\n0.333333 0.666666 0.750000 Al\n0.666666 0.333333 0.250000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Al"
],
"chemical_system": "Al-Zr",
"density": 5.60924896593201,
"density_atomic": 0.04838814104478079,
"volume": 123.99732394032871,
"volume_molar": 12.445488977199624,
"formula_full": "Zr4 Al2",
"formula_reduced": "Zr2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 2.9298172666666678,
"spacegroup": 194
},
{
"id": "jvasp-240",
"created_at": "2022-09-04T14:37:04.551298Z",
"updated_at": "2022-09-04T14:37:04.551323Z",
"structure_string": "Ni2 O4\n1.0\n-1.414123 2.449342 -0.000049\n-0.000045 0.000137 8.628133\n2.828253 -0.000006 0.000016\nNi O\n2 4\ndirect\n0.000001 -0.000004 -0.000035 Ni\n0.000000 0.500003 -0.000034 Ni\n0.666667 0.109023 0.333300 O\n0.666667 0.609029 0.333300 O\n0.333331 0.390978 0.666633 O\n0.333333 0.890971 0.666632 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 5.039240026567415,
"density_atomic": 0.10038463982757853,
"volume": 59.77010038892054,
"volume_molar": 5.999065963023504,
"formula_full": "Ni2 O4",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.459426466666667,
"spacegroup": 164
},
{
"id": "jvasp-9126",
"created_at": "2022-09-04T14:37:06.828776Z",
"updated_at": "2022-09-04T14:37:06.828796Z",
"structure_string": "As8 Pt4\n1.0\n6.073467 0.000000 -0.000000\n-0.000000 6.073467 0.000000\n-0.000000 -0.000000 6.073467\nAs Pt\n8 4\ndirect\n0.383372 0.383372 0.383372 As\n0.116628 0.616628 0.883373 As\n0.883373 0.116628 0.616628 As\n0.616628 0.883373 0.116628 As\n0.616628 0.616628 0.616628 As\n0.883373 0.383372 0.116628 As\n0.116628 0.883373 0.383372 As\n0.383372 0.116628 0.883373 As\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pt"
],
"chemical_system": "As-Pt",
"density": 10.226487773350685,
"density_atomic": 0.05356378001458225,
"volume": 224.03198573239433,
"volume_molar": 11.242934606856585,
"formula_full": "As8 Pt4",
"formula_reduced": "As2Pt",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9872716333333336,
"spacegroup": 205
},
{
"id": "jvasp-9223",
"created_at": "2022-09-04T14:37:04.505659Z",
"updated_at": "2022-09-04T14:37:04.505674Z",
"structure_string": "Cr4 S8\n1.0\n6.702895 0.145737 0.103784\n3.223661 5.878230 0.104670\n3.223977 1.955151 5.544086\nCr S\n4 8\ndirect\n0.493352 0.519803 0.493465 Cr\n0.493415 0.993473 0.019775 Cr\n0.493450 0.993382 0.493330 Cr\n0.019780 0.993354 0.493411 Cr\n0.248343 0.748420 0.754947 S\n0.248277 0.254940 0.248423 S\n0.754951 0.748277 0.248345 S\n0.248419 0.748350 0.248284 S\n0.743452 0.769712 0.743383 S\n0.743405 0.243378 0.269739 S\n0.743419 0.243462 0.743490 S\n0.269731 0.243451 0.743410 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 3.6178002401797724,
"density_atomic": 0.05628425210728722,
"volume": 213.20350809896146,
"volume_molar": 10.699512802481216,
"formula_full": "Cr4 S8",
"formula_reduced": "CrS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3307058000000005,
"spacegroup": 216
},
{
"id": "jvasp-3522",
"created_at": "2022-09-04T14:36:46.593416Z",
"updated_at": "2022-09-04T14:36:46.593440Z",
"structure_string": "Zn2 Cl4\n1.0\n4.820215 -0.000000 -2.229667\n-1.031368 4.708582 -2.229667\n0.047583 0.059133 6.428000\nZn Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.249999 0.749999 0.499999 Zn\n0.378558 0.375000 0.249999 Cl\n0.124999 0.621440 0.749999 Cl\n0.624999 0.128558 0.749999 Cl\n0.871440 0.874999 0.249999 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Cl"
],
"chemical_system": "Cl-Zn",
"density": 3.0762596012824592,
"density_atomic": 0.04077101200812792,
"volume": 147.16338163997176,
"volume_molar": 14.770643315891826,
"formula_full": "Zn2 Cl4",
"formula_reduced": "ZnCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0008866666666666,
"spacegroup": 122
},
{
"id": "jvasp-8253",
"created_at": "2022-09-04T14:37:05.236408Z",
"updated_at": "2022-09-04T14:37:05.236435Z",
"structure_string": "Co2 O4\n1.0\n2.788154 -0.000917 0.449545\n-1.357979 -2.434293 -0.454150\n-1.403412 -0.808674 -8.972308\nCo O\n2 4\ndirect\n-0.001265 0.997525 0.497888 Co\n0.000740 0.998031 -0.002043 Co\n0.404159 0.592027 0.606466 O\n0.262003 0.736865 0.889391 O\n0.593325 0.403027 0.389315 O\n0.739469 0.259192 0.106525 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.132326518219503,
"density_atomic": 0.1019693653361929,
"volume": 58.841201768962726,
"volume_molar": 5.905833325670908,
"formula_full": "Co2 O4",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.070142633333334,
"spacegroup": 166
}
]
}