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&page=1162",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1160",
"results": [
{
"id": "jvasp-12529",
"created_at": "2022-09-04T14:36:48.668293Z",
"updated_at": "2022-09-04T14:36:48.668316Z",
"structure_string": "Rb2 I2 O8\n1.0\n5.484000 0.000050 -2.266680\n-0.936810 5.403466 -2.266664\n-0.024881 -0.029538 7.707209\nRb I O\n2 2 8\ndirect\n0.125004 0.375004 0.250005 Rb\n0.874996 0.624996 0.749996 Rb\n0.625002 0.874998 0.249999 I\n0.374998 0.125002 0.750002 I\n0.574023 0.167934 0.406429 O\n0.238497 0.074028 0.906436 O\n0.667935 0.332405 0.906430 O\n0.832419 0.738501 0.406435 O\n0.167582 0.261499 0.593566 O\n0.332065 0.667595 0.093571 O\n0.761503 0.925973 0.093565 O\n0.425977 0.832067 0.593571 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"I",
"O"
],
"chemical_system": "I-O-Rb",
"density": 4.031821621141055,
"density_atomic": 0.05271239733212642,
"volume": 227.6504315368409,
"volume_molar": 11.424524523246658,
"formula_full": "Rb2 I2 O8",
"formula_reduced": "RbIO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.57570479375,
"spacegroup": 88
},
{
"id": "jvasp-66398",
"created_at": "2022-09-04T14:36:19.429522Z",
"updated_at": "2022-09-04T14:36:19.429544Z",
"structure_string": "Ba4 Ta1 Mn1\n1.0\n-0.000000 4.846236 4.846236\n4.846236 -0.000000 4.846236\n4.846236 4.846236 0.000000\nBa Ta Mn\n4 1 1\ndirect\n0.125382 0.624873 0.624873 Ba\n0.624873 0.624873 0.624873 Ba\n0.624873 0.125382 0.624873 Ba\n0.624873 0.624873 0.125382 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Mn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Mn"
],
"chemical_system": "Ba-Mn-Ta",
"density": 5.727727584733149,
"density_atomic": 0.026357703999391965,
"volume": 227.63743003329924,
"volume_molar": 22.847744098419657,
"formula_full": "Ba4 Ta1 Mn1",
"formula_reduced": "Ba4TaMn",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1329517202298844,
"spacegroup": 216
},
{
"id": "jvasp-89347",
"created_at": "2022-09-04T14:36:19.419438Z",
"updated_at": "2022-09-04T14:36:19.419457Z",
"structure_string": "Rb2 Na4 Au2 O4\n1.0\n4.084589 0.000000 0.000000\n0.000000 5.647925 -0.000000\n0.000000 0.000000 9.867165\nRb Na Au O\n2 4 2 4\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.073908 0.229002 Na\n0.000000 0.573908 0.270998 Na\n0.500000 0.926093 0.770999 Na\n0.000000 0.426093 0.729002 Na\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.727420 0.341074 O\n0.500000 0.272581 0.658926 O\n0.000000 0.772581 0.841075 O\n0.000000 0.227420 0.158926 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Au",
"O"
],
"chemical_system": "Au-Na-O-Rb",
"density": 5.2583502842150835,
"density_atomic": 0.052717107233408195,
"volume": 227.63009257828338,
"volume_molar": 11.423503822652116,
"formula_full": "Rb2 Na4 Au2 O4",
"formula_reduced": "RbNa2AuO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.3293804283333336,
"spacegroup": 58
},
{
"id": "jvasp-108578",
"created_at": "2022-09-04T14:38:17.207677Z",
"updated_at": "2022-09-04T14:38:17.207711Z",
"structure_string": "K2 Tl1 Bi1 F6\n1.0\n5.935221 -0.000000 3.426702\n1.978407 5.595780 3.426702\n-0.000000 -0.000000 6.853403\nK Tl Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Bi\n0.766961 0.233038 0.233038 F\n0.233039 0.233038 0.766961 F\n0.233039 0.766962 0.766961 F\n0.233039 0.766962 0.233038 F\n0.766961 0.233038 0.766961 F\n0.766962 0.766962 0.233038 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Bi",
"F"
],
"chemical_system": "Bi-F-K-Tl",
"density": 4.417695979807079,
"density_atomic": 0.04393354047968922,
"volume": 227.61652921241503,
"volume_molar": 13.707387782198152,
"formula_full": "K2 Tl1 Bi1 F6",
"formula_reduced": "K2TlBiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66344",
"created_at": "2022-09-04T14:36:05.114981Z",
"updated_at": "2022-09-04T14:36:05.115010Z",
"structure_string": "Ba4 Rh1 Pb1\n1.0\n-0.000000 4.846043 4.846043\n4.846043 0.000000 4.846043\n4.846043 4.846043 -0.000000\nBa Rh Pb\n4 1 1\ndirect\n0.124204 0.625265 0.625265 Ba\n0.625265 0.625265 0.625265 Ba\n0.625265 0.124204 0.625265 Ba\n0.625265 0.625265 0.124204 Ba\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"Pb"
],
"chemical_system": "Ba-Pb-Rh",
"density": 6.26988366911009,
"density_atomic": 0.026360853314909272,
"volume": 227.61023432448968,
"volume_molar": 22.845014491977675,
"formula_full": "Ba4 Rh1 Pb1",
"formula_reduced": "Ba4RhPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4876096166666666,
"spacegroup": 216
},
{
"id": "jvasp-44742",
"created_at": "2022-09-04T14:36:38.199511Z",
"updated_at": "2022-09-04T14:36:38.199533Z",
"structure_string": "Li5 Ni5 Sn2 O12\n1.0\n5.197311 0.201975 -0.137312\n2.450416 4.587842 0.137312\n-0.698943 1.115978 9.816945\nLi Ni Sn O\n5 5 2 12\ndirect\n0.186671 0.680225 0.503359 Li\n0.322117 0.817290 0.992044 Li\n0.680224 0.186671 0.996640 Li\n0.817290 0.322117 0.507955 Li\n0.906921 0.906922 0.750000 Li\n0.087812 0.087812 0.250000 Ni\n0.997717 0.506504 0.995484 Ni\n0.506504 0.997717 0.504516 Ni\n0.419112 0.419112 0.250000 Ni\n0.579652 0.579652 0.750000 Ni\n0.753644 0.753644 0.250000 Sn\n0.246824 0.246824 0.750000 Sn\n0.786756 0.042838 0.372937 O\n0.955385 0.226629 0.875732 O\n0.226628 0.955385 0.624268 O\n0.138288 0.370620 0.368000 O\n0.370619 0.138288 0.132000 O\n0.291570 0.529472 0.872429 O\n0.529472 0.291570 0.627571 O\n0.461832 0.721828 0.371191 O\n0.721828 0.461832 0.128809 O\n0.615861 0.854443 0.869670 O\n0.854442 0.615861 0.630330 O\n0.042838 0.786756 0.127062 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 5.527496136112341,
"density_atomic": 0.10545309713772939,
"volume": 227.5893326172702,
"volume_molar": 5.710729152065253,
"formula_full": "Li5 Ni5 Sn2 O12",
"formula_reduced": "Li5Ni5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 1.9801011416666665,
"spacegroup": 5
},
{
"id": "jvasp-112348",
"created_at": "2022-09-04T14:38:26.435606Z",
"updated_at": "2022-09-04T14:38:26.435629Z",
"structure_string": "Sr2 Nd1 Sm1 Mn4 O12\n1.0\n5.431010 0.003980 0.046999\n0.050797 5.430774 0.046999\n0.006683 0.006626 7.716175\nSr Nd Sm Mn O\n2 1 1 4 12\ndirect\n0.749736 0.749737 0.999739 Sr\n0.249791 0.249792 0.499846 Sr\n0.753474 0.753474 0.504655 Nd\n0.256769 0.256768 0.005670 Sm\n0.250586 0.750748 0.751274 Mn\n0.750382 0.250044 0.249610 Mn\n0.250044 0.750381 0.249610 Mn\n0.750748 0.250586 0.751274 Mn\n0.473859 0.473859 0.724456 O\n0.974559 0.974558 0.222965 O\n0.034387 0.464147 0.240001 O\n0.534230 0.965771 0.742726 O\n0.209040 0.776159 0.499674 O\n0.965771 0.534230 0.742726 O\n0.776159 0.209040 0.499674 O\n0.276501 0.703459 0.999588 O\n0.039815 0.039816 0.790601 O\n0.464147 0.034387 0.240001 O\n0.703458 0.276501 0.999588 O\n0.536543 0.536543 0.286329 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-Nd-O-Sm-Sr",
"density": 6.432492531686071,
"density_atomic": 0.08788100631170638,
"volume": 227.58046180151507,
"volume_molar": 6.852607875972634,
"formula_full": "Sr2 Nd1 Sm1 Mn4 O12",
"formula_reduced": "Sr2NdSmMn4O12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.894211198025862,
"spacegroup": 8
},
{
"id": "jvasp-3972",
"created_at": "2022-09-04T14:36:53.319544Z",
"updated_at": "2022-09-04T14:36:53.319563Z",
"structure_string": "Pd1 S2 Cl6\n1.0\n4.393363 -0.102256 -0.072886\n-0.370506 6.624165 -0.030336\n-1.074835 -2.029181 7.858940\nPd S Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.316610 0.245978 0.218698 S\n0.683389 0.754021 0.781301 S\n0.735836 0.804610 0.550267 Cl\n0.313791 0.140285 0.837927 Cl\n0.686208 0.859714 0.162072 Cl\n0.084297 0.504336 0.220308 Cl\n0.915703 0.495663 0.779691 Cl\n0.264164 0.195389 0.449732 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pd",
"S",
"Cl"
],
"chemical_system": "Cl-Pd-S",
"density": 2.796659584807342,
"density_atomic": 0.039548540225116224,
"volume": 227.56845003053587,
"volume_molar": 15.22721376243237,
"formula_full": "Pd1 S2 Cl6",
"formula_reduced": "Pd(SCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.7626522338888891,
"spacegroup": 2
},
{
"id": "jvasp-112017",
"created_at": "2022-09-04T14:38:43.353058Z",
"updated_at": "2022-09-04T14:38:43.353084Z",
"structure_string": "H7 C11 S2 N1\n1.0\n3.962782 -0.097184 0.595047\n1.653581 5.569864 0.708731\n0.117664 -0.096598 10.245599\nH C S N\n7 11 2 1\ndirect\n0.789329 0.980492 0.448357 H\n0.742936 0.643008 0.825386 H\n0.960665 0.685343 0.571776 H\n0.700497 0.779752 0.214603 H\n0.398505 0.744452 0.440338 H\n0.093479 0.016193 0.222610 H\n0.039325 0.120693 0.014752 H\n0.939279 0.177877 0.268883 C\n0.768529 0.157138 0.398030 C\n0.078375 0.444242 0.062434 C\n0.917289 0.402998 0.200331 C\n0.563680 0.358671 0.462496 C\n0.160151 0.320674 0.838637 C\n0.545985 0.583440 0.392672 C\n0.370579 0.358595 0.595860 C\n0.966629 0.520199 0.774386 C\n0.085600 0.541548 0.638760 C\n0.718921 0.604773 0.266189 C\n0.203931 0.694980 0.013804 S\n0.487986 0.151924 0.728585 S\n0.113493 0.272411 0.977526 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5856935247391393,
"density_atomic": 0.09228046583111044,
"volume": 227.56712171819453,
"volume_molar": 6.525910663500097,
"formula_full": "H7 C11 S2 N1",
"formula_reduced": "H7C11S2N",
"formula_anonymous": "AB2C7D11",
"energy_above_hull": 5.636441583333334,
"spacegroup": 1
},
{
"id": "jvasp-49248",
"created_at": "2022-09-04T14:38:32.279149Z",
"updated_at": "2022-09-04T14:38:32.279174Z",
"structure_string": "Sc8 C12\n1.0\n6.280595 -0.000000 -2.220526\n-3.140297 5.439155 -2.220526\n0.000000 -0.000000 6.661577\nSc C\n8 12\ndirect\n0.100372 0.100372 0.100372 Sc\n-0.000001 0.899628 0.499999 Sc\n0.500000 0.000000 0.899629 Sc\n-0.000000 0.399628 0.500000 Sc\n0.500000 0.000000 0.399628 Sc\n0.399628 0.500000 -0.000001 Sc\n0.600372 0.600371 0.600371 Sc\n0.899629 0.500000 -0.000001 Sc\n0.788698 0.038698 0.750000 C\n0.038697 0.749999 0.788697 C\n0.750000 0.788697 0.038696 C\n0.711302 0.461302 0.249999 C\n0.250000 0.711302 0.461302 C\n0.961303 0.211302 0.750000 C\n0.211302 0.749999 0.961302 C\n0.538698 0.288697 0.250000 C\n0.288698 0.250000 0.538697 C\n0.750000 0.961301 0.211301 C\n0.250000 0.538697 0.288697 C\n0.461302 0.250000 0.711302 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.6760129506396395,
"density_atomic": 0.08788620653103155,
"volume": 227.56699588505103,
"volume_molar": 6.852202407750591,
"formula_full": "Sc8 C12",
"formula_reduced": "Sc2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.8814841,
"spacegroup": 220
},
{
"id": "jvasp-63915",
"created_at": "2022-09-04T14:35:46.443231Z",
"updated_at": "2022-09-04T14:35:46.443251Z",
"structure_string": "Ba4 Ta1 Co1\n1.0\n-0.000000 4.845663 4.845663\n4.845663 0.000000 4.845663\n4.845663 4.845663 0.000000\nBa Ta Co\n4 1 1\ndirect\n0.125106 0.624964 0.624964 Ba\n0.624964 0.624964 0.624964 Ba\n0.624964 0.125106 0.624964 Ba\n0.624964 0.624964 0.125106 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Co"
],
"chemical_system": "Ba-Co-Ta",
"density": 5.758913363095479,
"density_atomic": 0.02636705550633045,
"volume": 227.5566947003037,
"volume_molar": 22.83964077275958,
"formula_full": "Ba4 Ta1 Co1",
"formula_reduced": "Ba4TaCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.918438996666666,
"spacegroup": 216
},
{
"id": "jvasp-66424",
"created_at": "2022-09-04T14:35:58.831650Z",
"updated_at": "2022-09-04T14:35:58.831678Z",
"structure_string": "Ba4 Ti1 Rh1\n1.0\n0.000000 4.845633 4.845633\n4.845633 0.000000 4.845633\n4.845633 4.845633 -0.000000\nBa Ti Rh\n4 1 1\ndirect\n0.126968 0.624344 0.624344 Ba\n0.624344 0.624344 0.624344 Ba\n0.624344 0.126968 0.624344 Ba\n0.624344 0.624344 0.126968 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Rh"
],
"chemical_system": "Ba-Rh-Ti",
"density": 5.108760317909315,
"density_atomic": 0.026367545235884332,
"volume": 227.55246824548655,
"volume_molar": 22.839216567662508,
"formula_full": "Ba4 Ti1 Rh1",
"formula_reduced": "Ba4TiRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2384142022222222,
"spacegroup": 216
}
]
}