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=3523",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=3521",
"results": [
{
"id": "jvasp-70291",
"created_at": "2022-09-04T14:36:18.110132Z",
"updated_at": "2022-09-04T14:36:18.110157Z",
"structure_string": "Li1 Be2 Ru1\n1.0\n2.711850 -0.000000 0.000000\n0.000000 2.711850 0.000000\n0.000000 -0.000000 5.969817\nLi Be Ru\n1 2 1\ndirect\n0.000000 0.000000 0.482484 Li\n0.000000 0.000000 0.022441 Be\n0.500000 0.500000 0.200853 Be\n0.500000 0.500000 0.794223 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ru"
],
"chemical_system": "Be-Li-Ru",
"density": 4.76704412015935,
"density_atomic": 0.0911103353838079,
"volume": 43.90281281645769,
"volume_molar": 6.609722963516006,
"formula_full": "Li1 Be2 Ru1",
"formula_reduced": "LiBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.244925675,
"spacegroup": 99
},
{
"id": "jvasp-42281",
"created_at": "2022-09-04T14:36:18.108216Z",
"updated_at": "2022-09-04T14:36:18.108242Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.779292 0.005727 -0.006047\n-0.044245 5.797120 0.016588\n-0.030181 -0.307532 8.055370\nMn O F\n6 2 10\ndirect\n0.490596 0.514980 0.002547 Mn\n0.512250 0.163697 0.674696 Mn\n0.460547 0.827052 0.325357 Mn\n0.018409 0.676319 0.646632 Mn\n0.018234 0.352885 0.334468 Mn\n0.005945 0.976523 0.015581 Mn\n0.198211 0.637033 0.429185 O\n0.305039 0.784929 0.107119 O\n0.807679 0.367712 0.570525 F\n0.702902 0.206276 0.915048 F\n0.717007 0.530154 0.222724 F\n0.678751 0.861033 0.550661 F\n0.190063 0.971943 0.770369 F\n0.303649 0.468065 0.769487 F\n0.205627 0.280021 0.100009 F\n0.786062 0.038798 0.246266 F\n0.296189 0.139738 0.439770 F\n0.802849 0.702848 0.879558 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.103661779481587,
"density_atomic": 0.08064212597522875,
"volume": 223.2084010970786,
"volume_molar": 7.467735612339698,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6353962929597703,
"spacegroup": 1
},
{
"id": "jvasp-66936",
"created_at": "2022-09-04T14:36:18.106224Z",
"updated_at": "2022-09-04T14:36:18.106257Z",
"structure_string": "Sc1 Be1 Mo1\n1.0\n1.491678 -2.583660 -0.000000\n1.491678 2.583660 0.000000\n-0.000000 0.000000 6.235456\nSc Be Mo\n1 1 1\ndirect\n0.333334 0.666668 0.677359 Sc\n0.000000 0.000000 0.018633 Be\n0.666668 0.333334 0.304008 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Mo"
],
"chemical_system": "Be-Mo-Sc",
"density": 5.179233832573086,
"density_atomic": 0.06241839452542441,
"volume": 48.06275494282431,
"volume_molar": 9.648022519302458,
"formula_full": "Sc1 Be1 Mo1",
"formula_reduced": "ScBeMo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.21524575,
"spacegroup": 156
},
{
"id": "jvasp-341",
"created_at": "2022-09-04T14:36:18.105410Z",
"updated_at": "2022-09-04T14:36:18.105437Z",
"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-15700",
"created_at": "2022-09-04T14:36:18.102159Z",
"updated_at": "2022-09-04T14:36:18.102187Z",
"structure_string": "Sr1 Al2 Si2\n1.0\n2.110772 -3.655965 0.000000\n2.110772 3.655965 -0.000000\n0.000000 -0.000000 7.430942\nSr Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333332 0.372639 Al\n0.333332 0.666667 0.627361 Al\n0.666667 0.333332 0.724998 Si\n0.333332 0.666667 0.275002 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Si"
],
"chemical_system": "Al-Si-Sr",
"density": 2.863237165523756,
"density_atomic": 0.043596616287631784,
"volume": 114.68779978272038,
"volume_molar": 13.813321474924791,
"formula_full": "Sr1 Al2 Si2",
"formula_reduced": "Sr(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.858361822,
"spacegroup": 164
},
{
"id": "jvasp-86995",
"created_at": "2022-09-04T14:36:18.094567Z",
"updated_at": "2022-09-04T14:36:18.094593Z",
"structure_string": "Rb2 N6\n1.0\n-3.153323 -3.153323 3.698080\n-3.153323 3.153323 -3.698080\n3.153323 -3.153323 -3.698080\nRb N\n2 6\ndirect\n0.000000 0.750000 0.750000 Rb\n0.000000 0.250000 0.250000 Rb\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.233722 0.866861 0.366861 N\n0.766277 0.133139 0.633138 N\n0.500000 0.633139 0.866861 N\n0.500000 0.366861 0.133139 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"N"
],
"chemical_system": "N-Rb",
"density": 2.8785571102734875,
"density_atomic": 0.054389714191719896,
"volume": 147.08663428163212,
"volume_molar": 11.072205194482876,
"formula_full": "Rb2 N6",
"formula_reduced": "RbN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5729974375000007,
"spacegroup": 140
},
{
"id": "jvasp-66632",
"created_at": "2022-09-04T14:36:18.094555Z",
"updated_at": "2022-09-04T14:36:18.094574Z",
"structure_string": "Ba4 Co1 Tc1\n1.0\n-0.000000 4.783720 4.783720\n4.783720 0.000000 4.783720\n4.783720 4.783720 0.000000\nBa Co Tc\n4 1 1\ndirect\n0.125338 0.624887 0.624887 Ba\n0.624887 0.624887 0.624887 Ba\n0.624887 0.125338 0.624887 Ba\n0.624887 0.624887 0.125338 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Tc"
],
"chemical_system": "Ba-Co-Tc",
"density": 5.356423332383404,
"density_atomic": 0.027404633587460297,
"volume": 218.94107727626965,
"volume_molar": 21.974899758395555,
"formula_full": "Ba4 Co1 Tc1",
"formula_reduced": "Ba4CoTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.693107713333333,
"spacegroup": 216
},
{
"id": "jvasp-85550",
"created_at": "2022-09-04T14:36:18.090749Z",
"updated_at": "2022-09-04T14:36:18.090769Z",
"structure_string": "Rb2 Cd2 H4 I6 O2\n1.0\n5.461390 4.945281 -0.083493\n-5.461390 4.945281 0.083493\n-0.043391 0.000000 8.816563\nRb Cd H I O\n2 2 4 6 2\ndirect\n0.508031 0.719008 0.824673 Rb\n0.280992 0.491969 0.324673 Rb\n0.970706 0.966014 0.496979 Cd\n0.033986 0.029294 -0.003021 Cd\n0.126657 0.487072 0.680231 H\n0.512928 0.873343 0.180232 H\n0.274219 0.351428 0.703001 H\n0.648571 0.725781 0.203001 H\n0.796040 0.614206 0.487487 I\n0.385794 0.203960 0.987487 I\n0.846114 0.171722 0.242853 I\n0.828278 0.153886 0.742853 I\n0.348714 -0.004199 0.486657 I\n0.004199 0.651286 0.986656 I\n0.250620 0.465650 0.650617 O\n0.534349 0.749379 0.150617 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"H",
"I",
"O"
],
"chemical_system": "Cd-H-I-O-Rb",
"density": 4.16080148934441,
"density_atomic": 0.033599219147461674,
"volume": 476.2015429518919,
"volume_molar": 17.923454511159242,
"formula_full": "Rb2 Cd2 H4 I6 O2",
"formula_reduced": "RbCdH2I3O",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 0.423310259375,
"spacegroup": 9
},
{
"id": "jvasp-49783",
"created_at": "2022-09-04T14:36:18.086006Z",
"updated_at": "2022-09-04T14:36:18.086032Z",
"structure_string": "Y2 Cu1 O4\n1.0\n-1.934821 1.934821 5.827649\n1.934821 -1.934821 5.827649\n1.934821 1.934821 -5.827649\nY Cu O\n2 1 4\ndirect\n0.348659 0.348659 0.000000 Y\n0.651341 0.651341 0.000000 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 5.810581503901597,
"density_atomic": 0.08021638336792683,
"volume": 87.26396910582773,
"volume_molar": 7.507370074736943,
"formula_full": "Y2 Cu1 O4",
"formula_reduced": "Y2CuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0308779071428567,
"spacegroup": 139
},
{
"id": "jvasp-18522",
"created_at": "2022-09-04T14:36:18.085887Z",
"updated_at": "2022-09-04T14:36:18.085913Z",
"structure_string": "Ba3 Pb1 O1\n1.0\n5.502331 0.000000 0.000000\n0.000000 5.502331 0.000000\n-0.000000 -0.000000 5.502331\nBa Pb O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"O"
],
"chemical_system": "Ba-O-Pb",
"density": 6.331491799376523,
"density_atomic": 0.030014413897065863,
"volume": 166.58662791642212,
"volume_molar": 20.06416244092879,
"formula_full": "Ba3 Pb1 O1",
"formula_reduced": "Ba3PbO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.107976446,
"spacegroup": 221
},
{
"id": "jvasp-69663",
"created_at": "2022-09-04T14:36:18.082587Z",
"updated_at": "2022-09-04T14:36:18.082607Z",
"structure_string": "Be2 P1 Cl1\n1.0\n-1.576231 1.576231 6.270488\n1.576231 -1.576231 6.270488\n1.576231 1.576231 -6.270488\nBe P Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 P\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Cl"
],
"chemical_system": "Be-Cl-P",
"density": 2.2503676723310377,
"density_atomic": 0.06418875167733991,
"volume": 62.31621421938466,
"volume_molar": 9.3819253414862,
"formula_full": "Be2 P1 Cl1",
"formula_reduced": "Be2PCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7573579418749998,
"spacegroup": 119
},
{
"id": "jvasp-99267",
"created_at": "2022-09-04T14:36:18.078221Z",
"updated_at": "2022-09-04T14:36:18.078244Z",
"structure_string": "Hg1 As2 O6\n1.0\n4.956819 0.000000 0.000000\n-2.478409 4.292731 -0.000000\n0.000000 -0.000000 5.038541\nHg As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.500000 As\n0.333333 0.666667 0.500000 As\n0.379689 0.379689 0.706901 O\n0.620311 -0.000000 0.706901 O\n-0.000000 0.620311 0.706901 O\n0.379689 -0.000000 0.293099 O\n-0.000000 0.379689 0.293099 O\n0.620311 0.620311 0.293099 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hg",
"As",
"O"
],
"chemical_system": "As-Hg-O",
"density": 6.914496281549872,
"density_atomic": 0.08394618751924571,
"volume": 107.21153951079242,
"volume_molar": 7.173810911447704,
"formula_full": "Hg1 As2 O6",
"formula_reduced": "Hg(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.1729543444444444,
"spacegroup": 162
}
]
}