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=-updated_at&page=959",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=957",
"results": [
{
"id": "jvasp-29601",
"created_at": "2022-09-04T14:38:17.955201Z",
"updated_at": "2022-09-04T14:38:17.955228Z",
"structure_string": "Cr6 Cl18\n1.0\n5.972620 -0.000000 -0.000000\n-2.986310 5.172440 0.000000\n0.000000 0.000000 17.352296\nCr Cl\n6 18\ndirect\n0.999836 0.000164 0.666667 Cr\n0.666506 0.333494 0.666667 Cr\n0.999836 0.999673 0.333333 Cr\n0.666506 0.333011 0.333333 Cr\n0.666989 0.333494 0.000000 Cr\n0.000327 0.000164 0.000000 Cr\n0.333164 0.018458 0.589912 Cl\n0.684803 0.666822 0.589911 Cl\n0.684803 0.017981 0.410089 Cl\n0.333658 0.315136 0.076771 Cl\n0.982019 0.666822 0.076756 Cl\n0.981478 0.666343 0.410104 Cl\n0.982019 0.315197 0.923244 Cl\n0.684864 0.018522 0.743438 Cl\n0.981542 0.666836 0.743422 Cl\n0.333164 0.314706 0.410088 Cl\n0.981542 0.314706 0.256578 Cl\n0.333178 0.315197 0.743423 Cl\n0.333178 0.017981 0.256577 Cl\n0.685294 0.018458 0.076755 Cl\n0.981478 0.315136 0.589896 Cl\n0.685294 0.666836 0.923245 Cl\n0.684864 0.666343 0.256562 Cl\n0.333658 0.018522 0.923229 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 2.943168383696843,
"density_atomic": 0.04477070657813781,
"volume": 536.0648029557691,
"volume_molar": 13.45107374950544,
"formula_full": "Cr6 Cl18",
"formula_reduced": "CrCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.981834900625,
"spacegroup": 162
},
{
"id": "jvasp-109090",
"created_at": "2022-09-04T14:38:17.952092Z",
"updated_at": "2022-09-04T14:38:17.952102Z",
"structure_string": "Yb1 As3\n1.0\n4.355300 0.000000 0.000000\n0.000000 4.355300 0.000000\n0.000000 0.000000 4.355300\nYb As\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n-0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 -0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"As"
],
"chemical_system": "As-Yb",
"density": 7.9958546487010596,
"density_atomic": 0.048417879530481774,
"volume": 82.61410947337698,
"volume_molar": 12.437844900268143,
"formula_full": "Yb1 As3",
"formula_reduced": "YbAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4249664875000003,
"spacegroup": 221
},
{
"id": "jvasp-108185",
"created_at": "2022-09-04T14:38:17.951052Z",
"updated_at": "2022-09-04T14:38:17.951073Z",
"structure_string": "Co2 F6\n1.0\n4.348820 0.111954 2.785879\n1.580171 4.053126 2.785879\n0.159367 0.111954 5.162166\nCo F\n2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.499999 0.500001 Co\n0.750001 0.113781 0.386219 F\n0.386218 0.750000 0.113782 F\n0.113783 0.386217 0.750001 F\n0.250000 0.886218 0.613782 F\n0.613783 0.249999 0.886219 F\n0.886218 0.613781 0.250001 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 4.401922537745608,
"density_atomic": 0.09146678844601787,
"volume": 87.46344040188383,
"volume_molar": 6.583964368175192,
"formula_full": "Co2 F6",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.250200436875,
"spacegroup": 167
},
{
"id": "jvasp-16632",
"created_at": "2022-09-04T14:38:17.950573Z",
"updated_at": "2022-09-04T14:38:17.950594Z",
"structure_string": "Pr1 B1 Pt3\n1.0\n4.060741 0.000000 0.000000\n0.000000 4.060741 0.000000\n0.000000 -0.000000 5.119351\nPr B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.982896 Pr\n0.500000 0.500000 0.687781 B\n0.000000 0.500000 0.501642 Pt\n0.500000 0.500000 0.098637 Pt\n0.500000 0.000000 0.501642 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"B",
"Pt"
],
"chemical_system": "B-Pr-Pt",
"density": 14.496855221077485,
"density_atomic": 0.05923037962830629,
"volume": 84.41613967995728,
"volume_molar": 10.16731751137048,
"formula_full": "Pr1 B1 Pt3",
"formula_reduced": "PrBPt3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.813769326666667,
"spacegroup": 99
},
{
"id": "jvasp-52496",
"created_at": "2022-09-04T14:38:17.943805Z",
"updated_at": "2022-09-04T14:38:17.943833Z",
"structure_string": "Li1 Bi1 F5\n1.0\n4.419893 0.000254 0.001572\n2.209530 4.846093 -0.000740\n2.208145 0.001660 4.846741\nLi Bi F\n1 1 5\ndirect\n0.250009 0.500005 0.499984 Li\n0.999994 -0.000007 -0.000006 Bi\n0.499982 0.000025 -0.000010 F\n0.916086 0.802623 0.396866 F\n0.281297 0.603113 0.802648 F\n0.687050 0.396857 0.197389 F\n0.115576 0.197383 0.603128 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Bi",
"F"
],
"chemical_system": "Bi-F-Li",
"density": 4.974128054382401,
"density_atomic": 0.06744137898017007,
"volume": 103.79384445947088,
"volume_molar": 8.92944487652114,
"formula_full": "Li1 Bi1 F5",
"formula_reduced": "LiBiF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0363943260714282,
"spacegroup": 82
},
{
"id": "jvasp-109432",
"created_at": "2022-09-04T14:38:17.925272Z",
"updated_at": "2022-09-04T14:38:17.925301Z",
"structure_string": "Sc2 Bi2 O6\n1.0\n5.000705 -0.017753 3.263243\n1.758046 4.681522 3.263243\n-0.025727 -0.017753 5.971194\nSc Bi O\n2 2 6\ndirect\n0.852015 0.852014 0.852012 Sc\n0.147986 0.147986 0.147986 Sc\n0.636458 0.636458 0.636456 Bi\n0.363543 0.363543 0.363542 Bi\n0.553342 0.983398 0.202622 O\n0.797377 0.446660 0.016601 O\n0.016603 0.797376 0.446659 O\n0.983398 0.202625 0.553339 O\n0.202624 0.553341 0.983397 O\n0.446659 0.016603 0.797375 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sc",
"density": 7.133959401203608,
"density_atomic": 0.07114408257016358,
"volume": 140.55982786956062,
"volume_molar": 8.46471068631865,
"formula_full": "Sc2 Bi2 O6",
"formula_reduced": "ScBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.78080001,
"spacegroup": 148
},
{
"id": "jvasp-108693",
"created_at": "2022-09-04T14:38:17.923610Z",
"updated_at": "2022-09-04T14:38:17.923621Z",
"structure_string": "Pu1 Ga5 Co1\n1.0\n4.199414 -0.000000 0.000000\n0.000000 4.199414 0.000000\n-0.000000 -0.000000 6.700899\nPu Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Pu\n-0.000000 0.500000 0.305109 Ga\n-0.000000 0.500000 0.694891 Ga\n0.500000 0.000000 0.305109 Ga\n0.500000 0.000000 0.694891 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pu",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Pu",
"density": 9.155565793923328,
"density_atomic": 0.05923625370069654,
"volume": 118.1708761558243,
"volume_molar": 10.166309284898595,
"formula_full": "Pu1 Ga5 Co1",
"formula_reduced": "PuGa5Co",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.4384432178571425,
"spacegroup": 123
},
{
"id": "jvasp-40150",
"created_at": "2022-09-04T14:38:17.919862Z",
"updated_at": "2022-09-04T14:38:17.919889Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n-3.547179 6.143943 -0.000009\n-7.094404 -0.000016 -0.000002\n-3.547192 2.047982 5.367534\nCa Sn S\n2 2 6\ndirect\n0.749999 0.750001 0.749997 Ca\n0.250001 0.250001 0.249998 Ca\n0.500000 0.500000 0.499999 Sn\n0.000000 -0.000000 -0.000000 Sn\n0.749999 0.361721 0.750000 S\n0.361722 0.138278 0.750003 S\n0.138278 0.749999 0.750002 S\n0.638277 0.861722 0.250004 S\n0.861721 0.249999 0.250001 S\n0.250000 0.638278 0.250000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.619524820970413,
"density_atomic": 0.04274262982969513,
"volume": 233.95846347883287,
"volume_molar": 14.089307990628509,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.002474424,
"spacegroup": 167
},
{
"id": "jvasp-36838",
"created_at": "2022-09-04T14:38:17.917693Z",
"updated_at": "2022-09-04T14:38:17.917711Z",
"structure_string": "Ni2 Au2 O4\n1.0\n1.485770 -2.573429 -0.000000\n1.485770 2.573429 -0.000000\n-0.000000 0.000000 12.149002\nNi Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.333333 0.666667 0.419681 O\n0.666667 0.333333 0.580319 O\n0.333333 0.666667 0.080319 O\n0.666667 0.333333 0.919681 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Au",
"O"
],
"chemical_system": "Au-Ni-O",
"density": 10.283059193255646,
"density_atomic": 0.08611040107259564,
"volume": 92.90399185640275,
"volume_molar": 6.993511451564389,
"formula_full": "Ni2 Au2 O4",
"formula_reduced": "NiAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3968442425000005,
"spacegroup": 194
},
{
"id": "jvasp-20490",
"created_at": "2022-09-04T14:38:17.911827Z",
"updated_at": "2022-09-04T14:38:17.911837Z",
"structure_string": "B4 Mo4\n1.0\n3.082646 0.000000 -0.556320\n-0.100398 3.081011 -0.556320\n-0.000917 -0.000948 8.813766\nB Mo\n4 4\ndirect\n0.470133 0.720133 0.440266 B\n0.220132 0.970133 0.940266 B\n0.529867 0.279866 0.559734 B\n0.779867 0.029867 0.059734 B\n0.322119 0.572119 0.144239 Mo\n0.072118 0.822118 0.644239 Mo\n0.677881 0.427881 0.855762 Mo\n0.927882 0.177881 0.355762 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 8.470703591797186,
"density_atomic": 0.09557150637215354,
"volume": 83.70695726870893,
"volume_molar": 6.301188490793379,
"formula_full": "B4 Mo4",
"formula_reduced": "BMo",
"formula_anonymous": "AB",
"energy_above_hull": 3.256389241666666,
"spacegroup": 141
},
{
"id": "jvasp-30263",
"created_at": "2022-09-04T14:38:17.910785Z",
"updated_at": "2022-09-04T14:38:17.910805Z",
"structure_string": "V1 O1 F2\n1.0\n0.000059 0.000237 3.770050\n1.491664 -4.379660 1.884997\n2.820620 0.048709 0.000001\nV O F\n1 1 2\ndirect\n0.050977 0.993416 0.996855 V\n0.485913 0.993424 0.996830 O\n0.826757 0.297010 0.344542 F\n0.130279 0.689825 0.649181 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.719547278770283,
"density_atomic": 0.08538260670035168,
"volume": 46.84794895098377,
"volume_molar": 7.053123572502965,
"formula_full": "V1 O1 F2",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.94712956625,
"spacegroup": 44
},
{
"id": "jvasp-16765",
"created_at": "2022-09-04T14:38:17.905908Z",
"updated_at": "2022-09-04T14:38:17.905928Z",
"structure_string": "Ti4 Ga2 C2\n1.0\n1.541832 -2.670531 0.000000\n1.541832 2.670531 0.000000\n-0.000000 -0.000000 13.358074\nTi Ga C\n4 2 2\ndirect\n0.333333 0.666666 0.085793 Ti\n0.666666 0.333333 0.585793 Ti\n0.666666 0.333333 0.914207 Ti\n0.333333 0.666666 0.414207 Ti\n0.333333 0.666666 0.750000 Ga\n0.666666 0.333333 0.250000 Ga\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"C"
],
"chemical_system": "C-Ga-Ti",
"density": 5.357841904355472,
"density_atomic": 0.07272462116544125,
"volume": 110.0040106334937,
"volume_molar": 8.280745452492948,
"formula_full": "Ti4 Ga2 C2",
"formula_reduced": "Ti2GaC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.108579747916667,
"spacegroup": 194
}
]
}