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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=710",
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"results": [
{
"id": "jvasp-107363",
"created_at": "2022-09-04T14:37:00.728768Z",
"updated_at": "2022-09-04T14:37:00.728794Z",
"structure_string": "Bi1 Pb1\n1.0\n3.524600 0.000000 0.000000\n-1.762299 3.052393 0.000000\n0.000000 -0.000000 5.896590\nBi Pb\n1 1\ndirect\n0.333333 0.666666 0.500000 Bi\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-109416",
"created_at": "2022-09-04T14:38:09.829412Z",
"updated_at": "2022-09-04T14:38:09.829442Z",
"structure_string": "Bi1 Pb2 F7\n1.0\n3.956158 0.032150 -8.919829\n-0.148143 3.953514 -8.919829\n-0.030717 -0.032150 9.757745\nBi Pb F\n1 2 7\ndirect\n0.500001 0.499999 -0.000000 Bi\n0.833808 0.833806 -0.000000 Pb\n0.166193 0.166193 -0.000000 Pb\n0.250000 0.749999 0.500000 F\n0.584558 0.084558 0.500000 F\n0.915442 0.415441 0.500000 F\n0.084558 0.584558 0.500000 F\n0.415442 0.915441 0.500000 F\n0.750000 0.250000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 10,
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"elements": [
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"Pb",
"F"
],
"chemical_system": "Bi-F-Pb",
"density": 8.35019816524071,
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"volume": 150.41327375885788,
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"formula_full": "Bi1 Pb2 F7",
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"formula_anonymous": "AB2C7",
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"spacegroup": 139
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{
"id": "jvasp-107576",
"created_at": "2022-09-04T14:36:51.286861Z",
"updated_at": "2022-09-04T14:36:51.286889Z",
"structure_string": "Bi1 Pb1 Br1 O2\n1.0\n3.826635 -0.016754 -5.994334\n-0.340298 3.811511 -5.994334\n0.015393 0.016754 7.111606\nBi Pb Br O\n1 1 1 2\ndirect\n0.342098 0.342098 0.000001 Bi\n0.653058 0.653058 0.000002 Pb\n0.991244 0.991244 0.000003 Br\n0.756801 0.256801 0.500002 O\n0.256800 0.756800 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"Br",
"O"
],
"chemical_system": "Bi-Br-O-Pb",
"density": 8.394964596205872,
"density_atomic": 0.04786713390147546,
"volume": 104.45580490136426,
"volume_molar": 12.58095120630227,
"formula_full": "Bi1 Pb1 Br1 O2",
"formula_reduced": "BiPbBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.984805245,
"spacegroup": 107
},
{
"id": "jvasp-12488",
"created_at": "2022-09-04T14:38:09.569071Z",
"updated_at": "2022-09-04T14:38:09.569101Z",
"structure_string": "Bi2 Pb2 Cl2 O4\n1.0\n5.636503 -0.000000 0.000000\n-0.000000 5.174483 -2.343406\n0.000000 -0.019308 6.841966\nBi Pb Cl O\n2 2 2 4\ndirect\n0.750000 0.090626 0.181252 Bi\n0.250000 0.909373 0.818748 Bi\n0.750000 0.392609 0.785219 Pb\n0.250000 0.607390 0.214781 Pb\n0.750000 0.745612 0.491224 Cl\n0.250000 0.254387 0.508776 Cl\n0.500000 0.238637 -0.000000 O\n0.000000 0.761363 -0.000001 O\n0.500000 0.761363 -0.000001 O\n0.000000 0.238637 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Pb",
"density": 8.059202604242502,
"density_atomic": 0.05017620054338723,
"volume": 199.2976728350132,
"volume_molar": 12.001986389528778,
"formula_full": "Bi2 Pb2 Cl2 O4",
"formula_reduced": "BiPbClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0105812375,
"spacegroup": 63
},
{
"id": "jvasp-100427",
"created_at": "2022-09-04T14:36:47.943911Z",
"updated_at": "2022-09-04T14:36:47.943928Z",
"structure_string": "Bi1 Pb1 I1 O2\n1.0\n3.904522 -0.006344 -6.373370\n-0.315814 3.891734 -6.373370\n0.005860 0.006344 7.474296\nBi Pb I O\n1 1 1 2\ndirect\n0.335408 0.335408 0.000000 Bi\n0.660194 0.660193 0.000000 Pb\n0.991561 0.991560 0.000000 I\n0.756418 0.256418 0.500000 O\n0.256419 0.756417 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"I",
"O"
],
"chemical_system": "Bi-I-O-Pb",
"density": 8.385875357468528,
"density_atomic": 0.04390745594979496,
"volume": 113.8758757901424,
"volume_molar": 13.715531063530277,
"formula_full": "Bi1 Pb1 I1 O2",
"formula_reduced": "BiPbIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9591556790000002,
"spacegroup": 107
},
{
"id": "jvasp-86255",
"created_at": "2022-09-04T14:35:59.124072Z",
"updated_at": "2022-09-04T14:35:59.124100Z",
"structure_string": "Bi8 Pd8\n1.0\n5.746225 0.027192 -0.000000\n-1.050068 5.649532 -0.000000\n0.000000 0.000000 10.837616\nBi Pd\n8 8\ndirect\n0.849385 0.394490 0.279321 Bi\n0.122406 0.122406 0.993467 Bi\n0.394490 0.849385 0.279321 Bi\n0.605510 0.150615 0.779321 Bi\n0.365424 0.365423 0.497509 Bi\n0.634577 0.634576 0.997509 Bi\n0.150615 0.605510 0.779321 Bi\n0.877594 0.877594 0.493467 Bi\n0.087414 0.087414 0.722306 Pd\n0.327573 0.327573 0.228787 Pd\n0.623726 0.132769 0.055645 Pd\n0.672427 0.672426 0.728787 Pd\n0.867231 0.376274 0.555645 Pd\n0.376274 0.867230 0.555645 Pd\n0.132769 0.623726 0.055645 Pd\n0.912586 0.912585 0.222306 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd",
"density": 11.898457033625409,
"density_atomic": 0.04543696400389246,
"volume": 352.13620343624467,
"volume_molar": 13.253836148656632,
"formula_full": "Bi8 Pd8",
"formula_reduced": "BiPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.7130650000000002,
"spacegroup": 36
},
{
"id": "jvasp-36183",
"created_at": "2022-09-04T14:37:08.477768Z",
"updated_at": "2022-09-04T14:37:08.477793Z",
"structure_string": "Bi2 Pd2\n1.0\n4.319307 0.000000 0.000000\n-2.159654 3.740793 0.000000\n0.000000 -0.000000 5.766289\nBi Pd\n2 2\ndirect\n0.333333 0.666663 0.250000 Bi\n0.666668 0.333337 0.750000 Bi\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd",
"density": 11.242610841533514,
"density_atomic": 0.04293246617379949,
"volume": 93.16958368539031,
"volume_molar": 14.027008687600501,
"formula_full": "Bi2 Pd2",
"formula_reduced": "BiPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.7066750000000002,
"spacegroup": 194
},
{
"id": "jvasp-86857",
"created_at": "2022-09-04T14:36:17.157573Z",
"updated_at": "2022-09-04T14:36:17.157595Z",
"structure_string": "Bi8 Pd8\n1.0\n5.746006 0.027554 0.000000\n-1.049671 5.649384 -0.000000\n-0.000000 -0.000000 10.837805\nBi Pd\n8 8\ndirect\n0.849429 0.394548 0.279323 Bi\n0.122359 0.122359 0.993466 Bi\n0.394549 0.849427 0.279323 Bi\n0.605452 0.150571 0.779323 Bi\n0.365491 0.365491 0.497519 Bi\n0.634509 0.634508 0.997519 Bi\n0.150572 0.605451 0.779323 Bi\n0.877642 0.877640 0.493466 Bi\n0.087325 0.087325 0.722304 Pd\n0.327652 0.327651 0.228793 Pd\n0.623676 0.132698 0.055636 Pd\n0.672349 0.672347 0.728793 Pd\n0.867302 0.376323 0.555636 Pd\n0.376325 0.867301 0.555636 Pd\n0.132698 0.623675 0.055636 Pd\n0.912676 0.912674 0.222304 Pd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Bi-Pd",
"density": 11.89887885656569,
"density_atomic": 0.04543857483071642,
"volume": 352.1237199804079,
"volume_molar": 13.253366291605255,
"formula_full": "Bi8 Pd8",
"formula_reduced": "BiPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.7130650000000002,
"spacegroup": 36
},
{
"id": "jvasp-105124",
"created_at": "2022-09-04T14:36:51.689625Z",
"updated_at": "2022-09-04T14:36:51.689650Z",
"structure_string": "Bi1 Pd2 Au1\n1.0\n4.095470 -0.000000 2.364521\n1.365157 3.861246 2.364521\n-0.000000 -0.000000 4.729041\nBi Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750001 0.749999 Pd\n0.500000 0.500001 0.499999 Au\n",
"nsites": 4,
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"elements": [
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"Pd",
"Au"
],
"chemical_system": "Au-Bi-Pd",
"density": 13.739975461307285,
"density_atomic": 0.05348791777516115,
"volume": 74.78324388723036,
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"formula_full": "Bi1 Pd2 Au1",
"formula_reduced": "BiPd2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1117858175,
"spacegroup": 225
},
{
"id": "jvasp-101228",
"created_at": "2022-09-04T14:36:40.118157Z",
"updated_at": "2022-09-04T14:36:40.118171Z",
"structure_string": "Bi1 Pd6 Pb1\n1.0\n4.125769 0.000000 0.000000\n0.000000 4.125769 0.000000\n-0.000000 -0.000000 8.231480\nBi Pd Pb\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.251745 Pd\n0.500000 0.000000 0.748255 Pd\n-0.000000 0.500000 0.251745 Pd\n-0.000000 0.500000 0.748255 Pd\n0.000000 0.000000 0.500000 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Pb"
],
"chemical_system": "Bi-Pb-Pd",
"density": 12.49943735111617,
"density_atomic": 0.05709554764574736,
"volume": 140.11600430976623,
"volume_molar": 10.547478758527237,
"formula_full": "Bi1 Pd6 Pb1",
"formula_reduced": "BiPd6Pb",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.5902636650000004,
"spacegroup": 123
},
{
"id": "jvasp-103725",
"created_at": "2022-09-04T14:37:07.955721Z",
"updated_at": "2022-09-04T14:37:07.955751Z",
"structure_string": "Bi1 Pd6 Se1\n1.0\n4.388435 -0.005148 6.564502\n1.988327 3.912153 6.564502\n-0.008402 -0.005148 7.896263\nBi Pd Se\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.616338 0.616336 0.616337 Pd\n0.132424 0.132424 0.132424 Pd\n0.867576 0.867574 0.867575 Pd\n0.383663 0.383662 0.383663 Pd\n0.255864 0.255863 0.255864 Pd\n0.744137 0.744135 0.744136 Pd\n0.500000 0.499999 0.500000 Se\n",
"nsites": 8,
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"elements": [
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"Se"
],
"chemical_system": "Bi-Pd-Se",
"density": 11.316694727000478,
"density_atomic": 0.05884826041782083,
"volume": 135.9428459431128,
"volume_molar": 10.233336919805252,
"formula_full": "Bi1 Pd6 Se1",
"formula_reduced": "BiPd6Se",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.7693089833333338,
"spacegroup": 166
},
{
"id": "jvasp-34822",
"created_at": "2022-09-04T14:37:10.456145Z",
"updated_at": "2022-09-04T14:37:10.456155Z",
"structure_string": "Bi2 Pd4 O8\n1.0\n6.756427 0.000000 -0.000000\n-0.000000 6.756427 0.000000\n-0.000000 -0.000000 4.561203\nBi Pd O\n2 4 8\ndirect\n0.000000 0.500000 0.496795 Bi\n0.500000 0.000000 0.503205 Bi\n0.750000 0.750000 0.000000 Pd\n0.750000 0.250000 0.000000 Pd\n0.250000 0.750000 0.000000 Pd\n0.250000 0.250000 0.000000 Pd\n0.278313 0.500000 0.772398 O\n0.500000 0.721688 0.227602 O\n0.000000 0.778313 0.772398 O\n0.778313 0.000000 0.227602 O\n0.221687 0.000000 0.227602 O\n0.721688 0.500000 0.772398 O\n0.500000 0.278313 0.227602 O\n0.000000 0.221687 0.772398 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Bi-O-Pd",
"density": 7.7488832229530775,
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"volume": 208.21575059174526,
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"formula_full": "Bi2 Pd4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 129
}
]
}