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=1113",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1111",
"results": [
{
"id": "jvasp-13980",
"created_at": "2022-09-04T14:37:06.655534Z",
"updated_at": "2022-09-04T14:37:06.655559Z",
"structure_string": "Yb1 P1 Pt1\n1.0\n2.044041 -3.540384 -0.000000\n2.044041 3.540384 -0.000000\n-0.000000 -0.000000 4.017082\nYb P Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.500000 P\n0.333333 0.666667 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Yb",
"P",
"Pt"
],
"chemical_system": "P-Pt-Yb",
"density": 11.398500564609778,
"density_atomic": 0.05159891741768869,
"volume": 58.14075469287978,
"volume_molar": 11.671060288438419,
"formula_full": "Yb1 P1 Pt1",
"formula_reduced": "YbPPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0045958666666663,
"spacegroup": 187
},
{
"id": "jvasp-52378",
"created_at": "2022-09-04T14:37:06.663511Z",
"updated_at": "2022-09-04T14:37:06.663522Z",
"structure_string": "Bi8 O8 F8\n1.0\n0.000000 8.241588 0.025478\n3.948046 0.000000 0.000000\n0.000000 -4.056697 -11.625174\nBi O F\n8 8 8\ndirect\n0.921574 0.750001 0.124429 Bi\n0.825827 0.250000 0.403367 Bi\n0.675292 0.750001 0.657166 Bi\n0.449467 0.750001 0.124215 Bi\n0.550532 0.250000 0.875785 Bi\n0.324708 0.250000 0.342834 Bi\n0.174173 0.750001 0.596633 Bi\n0.078426 0.250000 0.875571 Bi\n0.119759 0.250000 0.493962 O\n0.353297 0.250000 0.987487 O\n0.246857 0.750001 0.240280 O\n0.492467 0.750001 0.753919 O\n0.507532 0.250000 0.246080 O\n0.753143 0.250000 0.759720 O\n0.646703 0.750001 0.012513 O\n0.880241 0.750001 0.506037 O\n0.900469 0.250000 0.010298 F\n0.982409 0.250000 0.243505 F\n0.763960 0.750001 0.251208 F\n0.614587 0.250000 0.496636 F\n0.385413 0.750001 0.503363 F\n0.236040 0.250000 0.748792 F\n0.017590 0.750001 0.756495 F\n0.099530 0.750001 0.989702 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.577610116845635,
"density_atomic": 0.06351662752867039,
"volume": 377.85381456480485,
"volume_molar": 9.481203575050802,
"formula_full": "Bi8 O8 F8",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3043093608333336,
"spacegroup": 11
},
{
"id": "jvasp-10653",
"created_at": "2022-09-04T14:37:06.712297Z",
"updated_at": "2022-09-04T14:37:06.712321Z",
"structure_string": "Zn2 Ni4 O8\n1.0\n5.857323 -0.023834 -0.016853\n2.908021 5.036840 -0.000000\n2.908021 1.678947 4.748778\nZn Ni O\n2 4 8\ndirect\n0.981613 0.006130 0.006130 Zn\n0.126092 0.624636 0.624636 Zn\n0.255337 0.248222 0.248222 Ni\n0.624862 0.124727 0.625206 Ni\n0.624862 0.625206 0.124727 Ni\n0.624862 0.625206 0.625206 Ni\n0.410477 0.373817 0.373817 O\n0.410476 0.373817 0.841890 O\n0.410477 0.841890 0.373817 O\n0.859356 0.380215 0.380215 O\n0.399406 0.866865 0.866865 O\n0.840722 0.415935 0.871672 O\n0.840723 0.871671 0.415935 O\n0.840722 0.871672 0.871672 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 5.829693290957237,
"density_atomic": 0.09957747459426833,
"volume": 140.59404556144307,
"volume_molar": 6.047693802777596,
"formula_full": "Zn2 Ni4 O8",
"formula_reduced": "Zn(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4941827428571428,
"spacegroup": 160
},
{
"id": "jvasp-104615",
"created_at": "2022-09-04T14:37:06.731501Z",
"updated_at": "2022-09-04T14:37:06.731521Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n4.771843 -0.000000 2.755025\n1.590614 4.498937 2.755025\n-0.000000 -0.000000 5.510049\nSr Hg Ge\n2 1 1\ndirect\n0.749999 0.750001 0.749999 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.499999 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Sr",
"density": 6.295510825740735,
"density_atomic": 0.033814928411547054,
"volume": 118.29094982303992,
"volume_molar": 17.80911876171109,
"formula_full": "Sr2 Hg1 Ge1",
"formula_reduced": "Sr2HgGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42856",
"created_at": "2022-09-04T14:37:06.741974Z",
"updated_at": "2022-09-04T14:37:06.741990Z",
"structure_string": "Pr4 B4 O12\n1.0\n5.101060 0.000000 0.000000\n-0.000000 5.790404 0.000000\n0.000000 0.000000 8.195594\nPr B O\n4 4 12\ndirect\n0.750000 0.757904 0.584724 Pr\n0.250000 0.742095 0.084724 Pr\n0.750000 0.257904 0.915276 Pr\n0.250000 0.242095 0.415276 Pr\n0.750000 0.916060 0.237680 B\n0.250000 0.583939 0.737679 B\n0.750000 0.416060 0.262320 B\n0.250000 0.083940 0.762320 B\n0.250000 0.600031 0.570401 O\n0.750000 0.899968 0.070401 O\n0.516717 0.912076 0.323034 O\n0.483283 0.587923 0.823034 O\n0.983283 0.412076 0.176966 O\n0.016717 0.587923 0.823034 O\n0.483283 0.087924 0.676965 O\n0.516717 0.412076 0.176966 O\n0.750000 0.399969 0.429599 O\n0.983283 0.912076 0.323034 O\n0.016717 0.087924 0.676965 O\n0.250000 0.100031 0.929598 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"B",
"O"
],
"chemical_system": "B-O-Pr",
"density": 5.479918038815544,
"density_atomic": 0.08261906242366314,
"volume": 242.07488457617438,
"volume_molar": 7.289045146892375,
"formula_full": "Pr4 B4 O12",
"formula_reduced": "PrBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2041305866666665,
"spacegroup": 62
},
{
"id": "jvasp-12977",
"created_at": "2022-09-04T14:37:06.693854Z",
"updated_at": "2022-09-04T14:37:06.693884Z",
"structure_string": "Pd2 Pb4 Br12\n1.0\n0.000000 8.362248 0.009271\n6.711787 0.000000 0.000000\n0.000000 -0.131217 -9.543643\nPd Pb Br\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.383336 0.956922 0.722967 Pb\n0.116664 0.456922 0.277033 Pb\n0.616664 0.043078 0.277033 Pb\n0.883336 0.543078 0.722967 Pb\n0.026271 0.116217 0.754533 Br\n0.473729 0.616217 0.245467 Br\n0.973729 0.883783 0.245467 Br\n0.526271 0.383783 0.754533 Br\n0.345372 0.194720 0.053956 Br\n0.825984 0.352708 0.440561 Br\n0.674015 0.852708 0.559439 Br\n0.654627 0.805281 0.946044 Br\n0.325984 0.147292 0.440561 Br\n0.174015 0.647293 0.559439 Br\n0.154627 0.694720 0.946044 Br\n0.845372 0.305280 0.053956 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Pd",
"density": 6.201778826853014,
"density_atomic": 0.033604986946727866,
"volume": 535.6347862456964,
"volume_molar": 17.920378215133866,
"formula_full": "Pd2 Pb4 Br12",
"formula_reduced": "Pd(PbBr3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1347568855555556,
"spacegroup": 14
},
{
"id": "jvasp-8093",
"created_at": "2022-09-04T14:37:06.705281Z",
"updated_at": "2022-09-04T14:37:06.705308Z",
"structure_string": "Ba1 Ce1 O3\n1.0\n4.460540 -0.000000 0.000000\n0.000000 4.460540 -0.000000\n0.000000 0.000000 4.460540\nBa Ce O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ce",
"O"
],
"chemical_system": "Ba-Ce-O",
"density": 6.089187052705218,
"density_atomic": 0.056338812599684235,
"volume": 88.74876429376546,
"volume_molar": 10.689151017062352,
"formula_full": "Ba1 Ce1 O3",
"formula_reduced": "BaCeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.280166394,
"spacegroup": 221
},
{
"id": "jvasp-81752",
"created_at": "2022-09-04T14:37:06.724683Z",
"updated_at": "2022-09-04T14:37:06.724717Z",
"structure_string": "Al2 Tc1 Au1\n1.0\n-10.517770 1.996494 -2.812175\n-3.075649 0.678158 -3.362285\n-3.853336 -1.521469 -2.015294\nAl Tc Au\n2 1 1\ndirect\n0.762944 -0.014223 -0.014220 Al\n0.237056 0.014220 0.014221 Al\n0.000000 0.000000 0.000000 Tc\n0.500000 -0.000001 0.000001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Tc",
"Au"
],
"chemical_system": "Al-Au-Tc",
"density": 9.47327503318866,
"density_atomic": 0.06539931054762964,
"volume": 61.162724293352326,
"volume_molar": 9.208263373990981,
"formula_full": "Al2 Tc1 Au1",
"formula_reduced": "Al2TcAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2886386675,
"spacegroup": 12
},
{
"id": "jvasp-85168",
"created_at": "2022-09-04T14:37:06.725529Z",
"updated_at": "2022-09-04T14:37:06.725555Z",
"structure_string": "Eu2 H3 Cl1\n1.0\n3.664476 -0.000186 0.000247\n-1.832399 3.173809 -0.000000\n0.000441 0.000254 7.146217\nEu H Cl\n2 3 1\ndirect\n0.666828 0.333413 0.714614 Eu\n0.333172 0.666585 0.285387 Eu\n0.666553 0.333275 0.380199 H\n0.333447 0.666723 0.619802 H\n-0.000000 -0.000001 0.500000 H\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"H",
"Cl"
],
"chemical_system": "Cl-Eu-H",
"density": 6.841208518645089,
"density_atomic": 0.07219300361839977,
"volume": 83.11054671883447,
"volume_molar": 8.341723516356288,
"formula_full": "Eu2 H3 Cl1",
"formula_reduced": "Eu2H3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.8711756779166664,
"spacegroup": 164
},
{
"id": "jvasp-32942",
"created_at": "2022-09-04T14:37:06.726202Z",
"updated_at": "2022-09-04T14:37:06.726226Z",
"structure_string": "Bi4 Se4 Cl4\n1.0\n4.233089 0.000000 0.000000\n0.000000 8.347894 0.000000\n0.000000 0.000000 9.252916\nBi Se Cl\n4 4 4\ndirect\n0.250000 0.187453 0.094334 Bi\n0.750000 0.312546 0.594335 Bi\n0.750000 0.812546 0.905666 Bi\n0.250000 0.687453 0.405666 Bi\n0.250000 0.530656 0.671818 Se\n0.250000 0.030656 0.828183 Se\n0.750000 0.469344 0.328183 Se\n0.750000 0.969343 0.171818 Se\n0.750000 0.350852 0.933977 Cl\n0.750000 0.850852 0.566023 Cl\n0.250000 0.649147 0.066023 Cl\n0.250000 0.149147 0.433977 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Se",
"Cl"
],
"chemical_system": "Bi-Cl-Se",
"density": 6.569424051717926,
"density_atomic": 0.03670018902542226,
"volume": 326.973792742255,
"volume_molar": 16.409018372707717,
"formula_full": "Bi4 Se4 Cl4",
"formula_reduced": "BiSeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4781605780555555,
"spacegroup": 62
},
{
"id": "jvasp-51406",
"created_at": "2022-09-04T14:37:06.729328Z",
"updated_at": "2022-09-04T14:37:06.729355Z",
"structure_string": "Na2 H2 S2\n1.0\n0.000000 3.898515 -0.002543\n4.464690 0.000000 0.000000\n0.000000 -1.026922 -5.842619\nNa H S\n2 2 2\ndirect\n0.763589 0.750000 0.232714 Na\n0.236412 0.250000 0.767285 Na\n0.446664 0.750000 0.605290 H\n0.553338 0.250000 0.394709 H\n0.756234 0.750000 0.749207 S\n0.243768 0.250000 0.250792 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"S"
],
"chemical_system": "H-Na-S",
"density": 1.830649913994218,
"density_atomic": 0.058993392986616384,
"volume": 101.70630465959465,
"volume_molar": 10.208161380658714,
"formula_full": "Na2 H2 S2",
"formula_reduced": "NaHS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.859823,
"spacegroup": 11
},
{
"id": "jvasp-26796",
"created_at": "2022-09-04T14:37:07.046367Z",
"updated_at": "2022-09-04T14:37:07.046389Z",
"structure_string": "Li4 Mo2 F12\n1.0\n4.683627 0.000000 0.000000\n0.000000 4.683627 0.000000\n0.000000 0.000000 9.202718\nLi Mo F\n4 2 12\ndirect\n0.000000 0.000000 0.335886 Li\n0.000000 0.000000 0.664114 Li\n0.500000 0.500000 0.164114 Li\n0.500000 0.500000 0.835886 Li\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.697451 0.697451 0.662271 F\n0.302550 0.302550 0.662271 F\n0.697451 0.697451 0.337729 F\n0.197451 0.802550 0.162271 F\n0.802550 0.197451 0.162271 F\n0.302550 0.302550 0.337729 F\n0.197451 0.802550 0.837729 F\n0.296350 0.296350 0.000000 F\n0.796350 0.203650 0.500000 F\n0.703650 0.703650 0.000000 F\n0.802550 0.197451 0.837729 F\n0.203650 0.796350 0.500000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mo",
"F"
],
"chemical_system": "F-Li-Mo",
"density": 3.6819896105499406,
"density_atomic": 0.08916446110836194,
"volume": 201.87415228276348,
"volume_molar": 6.753969782513761,
"formula_full": "Li4 Mo2 F12",
"formula_reduced": "Li2MoF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.5368008438888887,
"spacegroup": 136
}
]
}