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=1292",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1290",
"results": [
{
"id": "jvasp-20115",
"created_at": "2022-09-04T14:38:33.641338Z",
"updated_at": "2022-09-04T14:38:33.641366Z",
"structure_string": "Ni6 S8\n1.0\n5.800999 -0.000000 3.349209\n1.933666 5.469235 3.349209\n0.000000 0.000000 6.698417\nNi S\n6 8\ndirect\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.125000 0.125000 0.125000 Ni\n0.875000 0.875001 0.875000 Ni\n0.741717 0.741718 0.741717 S\n0.258283 0.258283 0.725152 S\n0.258283 0.725152 0.258283 S\n0.725152 0.258283 0.258283 S\n0.741717 0.274848 0.741717 S\n0.274848 0.741718 0.741717 S\n0.258283 0.258283 0.258283 S\n0.741717 0.741718 0.274848 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 4.755945392496152,
"density_atomic": 0.06587588766540893,
"volume": 212.5208554472553,
"volume_molar": 9.141646470992743,
"formula_full": "Ni6 S8",
"formula_reduced": "Ni3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.6774267428571428,
"spacegroup": 227
},
{
"id": "jvasp-93183",
"created_at": "2022-09-04T14:35:55.605493Z",
"updated_at": "2022-09-04T14:35:55.605523Z",
"structure_string": "K1 Mg6 Ga1\n1.0\n7.747168 -0.852108 0.000000\n-4.611532 6.283189 0.000000\n0.000000 0.000000 4.749290\nK Mg Ga\n1 6 1\ndirect\n0.213964 0.286036 0.250000 K\n0.170441 0.819324 0.250000 Mg\n0.680676 0.329559 0.250000 Mg\n0.630852 0.869148 0.250000 Mg\n0.303788 0.686438 0.750000 Mg\n0.813562 0.196212 0.750000 Mg\n0.798467 0.701533 0.750000 Mg\n0.388252 0.111748 0.750000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Ga"
],
"chemical_system": "Ga-K-Mg",
"density": 1.9897500508693449,
"density_atomic": 0.03764380511764368,
"volume": 212.51836723196703,
"volume_molar": 15.997694019453464,
"formula_full": "K1 Mg6 Ga1",
"formula_reduced": "KMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-99353",
"created_at": "2022-09-04T14:36:01.110611Z",
"updated_at": "2022-09-04T14:36:01.110628Z",
"structure_string": "Rb2 Sn1 H12 N6\n1.0\n6.619844 -0.000035 0.000005\n-3.309952 5.732911 -0.000001\n0.000004 0.000001 5.599800\nRb Sn H N\n2 1 12 6\ndirect\n0.666665 0.333332 0.793170 Rb\n0.333334 0.666667 0.206831 Rb\n0.000000 0.000000 0.000000 Sn\n0.265529 0.207749 0.394248 H\n0.792252 0.057779 0.394247 H\n0.942218 0.734470 0.394246 H\n0.734469 0.792250 0.605753 H\n0.057780 0.265529 0.605755 H\n0.207747 0.942220 0.605753 H\n0.862143 0.286463 0.226690 H\n0.713530 0.575676 0.226689 H\n0.575679 0.862142 0.773311 H\n0.137856 0.713536 0.773311 H\n0.286468 0.424323 0.773312 H\n0.424319 0.137857 0.226690 H\n0.791394 0.107936 0.220657 N\n0.107942 0.316547 0.779342 N\n0.208604 0.892063 0.779344 N\n0.683453 0.791390 0.779344 N\n0.892056 0.683452 0.220659 N\n0.316546 0.208608 0.220657 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Rb",
"Sn",
"H",
"N"
],
"chemical_system": "H-N-Rb-Sn",
"density": 3.0143652649221306,
"density_atomic": 0.09881551749698808,
"volume": 212.51722939810628,
"volume_molar": 6.094326996955267,
"formula_full": "Rb2 Sn1 H12 N6",
"formula_reduced": "Rb2Sn(H2N)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.6277100571428567,
"spacegroup": 147
},
{
"id": "jvasp-32387",
"created_at": "2022-09-04T14:38:01.381744Z",
"updated_at": "2022-09-04T14:38:01.381773Z",
"structure_string": "Co1 H12 Br2 O6\n1.0\n6.476001 -0.013973 -0.677738\n-3.022173 4.958711 -2.945467\n0.099597 -0.153751 6.717040\nCo H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.727033 0.439958 0.166990 H\n0.272968 0.560042 0.833010 H\n0.689994 0.016529 0.234905 H\n0.781624 0.455091 0.765095 H\n0.310007 0.983471 0.765094 H\n0.218377 0.544910 0.234905 H\n0.802803 0.859190 0.278981 H\n0.580209 0.523821 0.721018 H\n0.187849 0.356916 0.544764 H\n0.197198 0.140810 0.721018 H\n0.419792 0.476179 0.278982 H\n0.812152 0.643084 0.455236 H\n0.713949 0.105666 0.819614 Br\n0.286052 0.894334 0.180386 Br\n0.712192 0.586646 0.298836 O\n0.287809 0.413355 0.701164 O\n0.839092 0.009173 0.253515 O\n0.755658 0.585577 0.746485 O\n0.160909 -0.009172 0.746485 O\n0.244343 0.414423 0.253515 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Co",
"H",
"Br",
"O"
],
"chemical_system": "Br-Co-H-O",
"density": 2.553860027622904,
"density_atomic": 0.09881925006257336,
"volume": 212.50920227286267,
"volume_molar": 6.094096804202337,
"formula_full": "Co1 H12 Br2 O6",
"formula_reduced": "CoH12(BrO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.8812938147619045,
"spacegroup": 12
},
{
"id": "jvasp-103197",
"created_at": "2022-09-04T14:36:32.779871Z",
"updated_at": "2022-09-04T14:36:32.779898Z",
"structure_string": "Rb2 Hg1 Ru1 F6\n1.0\n5.800848 -0.000000 3.349121\n1.933616 5.469092 3.349121\n0.000000 0.000000 6.698243\nRb Hg Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Ru\n0.794577 0.205423 0.205423 F\n0.205424 0.205423 0.794576 F\n0.205424 0.794576 0.794576 F\n0.205424 0.794576 0.205423 F\n0.794577 0.205423 0.794576 F\n0.794578 0.794576 0.205423 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Ru",
"F"
],
"chemical_system": "F-Hg-Rb-Ru",
"density": 4.583668398668039,
"density_atomic": 0.04705788307250864,
"volume": 212.50424683557495,
"volume_molar": 12.79730486541617,
"formula_full": "Rb2 Hg1 Ru1 F6",
"formula_reduced": "Rb2HgRuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21109",
"created_at": "2022-09-04T14:38:34.733665Z",
"updated_at": "2022-09-04T14:38:34.733693Z",
"structure_string": "Y2 B8 Rh8\n1.0\n5.331450 0.000000 0.000000\n0.000000 5.331450 0.000000\n0.000000 0.000000 7.475723\nY B Rh\n2 8 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.168122 0.500000 0.351256 B\n0.500000 0.168122 0.648744 B\n0.500000 0.831878 0.648744 B\n0.831878 0.500000 0.351256 B\n0.331878 0.000000 0.148744 B\n0.000000 0.331878 0.851256 B\n0.668122 0.000000 0.148744 B\n0.000000 0.668122 0.851256 B\n0.000000 0.248515 0.145502 Rh\n0.248515 0.000000 0.854498 Rh\n0.000000 0.751484 0.145502 Rh\n0.500000 0.748515 0.354498 Rh\n0.500000 0.251484 0.354498 Rh\n0.748515 0.500000 0.645501 Rh\n0.251484 0.500000 0.645501 Rh\n0.751484 0.000000 0.854498 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"B",
"Rh"
],
"chemical_system": "B-Rh-Y",
"density": 8.498688905669068,
"density_atomic": 0.08470881821993669,
"volume": 212.49263510281864,
"volume_molar": 7.109225328069394,
"formula_full": "Y2 B8 Rh8",
"formula_reduced": "Y(BRh)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.195443087037036,
"spacegroup": 137
},
{
"id": "jvasp-58331",
"created_at": "2022-09-04T14:37:36.066571Z",
"updated_at": "2022-09-04T14:37:36.066600Z",
"structure_string": "Na4 Li2 Al2 F12\n1.0\n0.000000 5.269209 -0.002274\n5.383327 0.000000 0.000000\n0.000000 -5.251449 -7.486539\nNa Li Al F\n4 2 2 12\ndirect\n0.760500 0.954614 0.750188 Na\n0.239500 0.045386 0.249811 Na\n0.760500 0.545386 0.250188 Na\n0.239500 0.454614 0.749812 Na\n-0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 -0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.266505 0.778114 0.456602 F\n0.819578 0.694181 0.540010 F\n0.180422 0.305820 0.459989 F\n0.819578 0.805820 0.040010 F\n0.733495 0.221887 0.543397 F\n0.343667 0.477977 0.263063 F\n0.656333 0.522023 0.736937 F\n0.656333 0.977978 0.236937 F\n0.733495 0.278114 0.043397 F\n0.343667 0.022023 0.763063 F\n0.180422 0.194180 0.959989 F\n0.266505 0.721887 0.956602 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-Li-Na",
"density": 3.0313170882151033,
"density_atomic": 0.09415020458470534,
"volume": 212.42651663073488,
"volume_molar": 6.396311921533832,
"formula_full": "Na4 Li2 Al2 F12",
"formula_reduced": "Na2LiAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-10251",
"created_at": "2022-09-04T14:38:10.951033Z",
"updated_at": "2022-09-04T14:38:10.951065Z",
"structure_string": "K4 S2 O6\n1.0\n2.982046 -5.165055 -0.000000\n2.982046 5.165055 -0.000000\n0.000000 0.000000 6.895519\nK S O\n4 2 6\ndirect\n0.666668 0.333334 0.672309 K\n0.333334 0.666668 0.327691 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.666668 0.333334 0.175933 S\n0.333334 0.666668 0.824067 S\n0.197239 0.394478 0.733767 O\n0.605524 0.802763 0.733767 O\n0.197239 0.802762 0.733767 O\n0.802762 0.197239 0.266233 O\n0.802763 0.605524 0.266233 O\n0.394478 0.197239 0.266233 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"S",
"O"
],
"chemical_system": "K-O-S",
"density": 2.4743632778110727,
"density_atomic": 0.05649304733925882,
"volume": 212.4155195228921,
"volume_molar": 10.65996798479487,
"formula_full": "K4 S2 O6",
"formula_reduced": "K2SO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0332594166666669,
"spacegroup": 164
},
{
"id": "jvasp-111761",
"created_at": "2022-09-04T14:38:42.090782Z",
"updated_at": "2022-09-04T14:38:42.090817Z",
"structure_string": "Y4 Ge1 O8 F2\n1.0\n5.236557 0.024877 -1.909924\n-2.334292 5.927406 -0.044547\n-0.026505 -0.026894 6.844281\nY Ge O F\n4 1 8 2\ndirect\n0.863557 0.716613 0.882419 Y\n0.131106 0.279127 0.141648 Y\n0.555886 0.931998 0.257080 Y\n0.444235 0.071687 0.749008 Y\n0.077941 0.444819 0.637180 Ge\n0.942334 0.256442 0.401557 O\n0.086030 0.725713 0.641162 O\n0.522710 0.568152 0.154073 O\n0.415712 0.436838 0.774646 O\n0.157210 0.639844 0.180794 O\n0.882293 0.347699 0.803309 O\n0.740089 0.975283 0.013734 O\n0.258314 0.036999 0.993275 O\n0.633637 0.861744 0.598488 F\n0.384667 0.141957 0.412736 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Y",
"Ge",
"O",
"F"
],
"chemical_system": "F-Ge-O-Y",
"density": 4.645609389787806,
"density_atomic": 0.0706173979310421,
"volume": 212.41224456680635,
"volume_molar": 8.527842906192355,
"formula_full": "Y4 Ge1 O8 F2",
"formula_reduced": "Y4Ge(O4F)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.3902470876666664,
"spacegroup": 1
},
{
"id": "jvasp-93531",
"created_at": "2022-09-04T14:36:12.739218Z",
"updated_at": "2022-09-04T14:36:12.739240Z",
"structure_string": "Ca4 Mg2\n1.0\n3.780936 -0.000000 -0.000000\n-1.890468 3.274386 0.000000\n-0.000000 0.000000 17.156790\nCa Mg\n4 2\ndirect\n0.333333 0.666668 0.907306 Ca\n0.333333 0.666668 0.592694 Ca\n0.666668 0.333333 0.407306 Ca\n0.666668 0.333333 0.092694 Ca\n0.666668 0.333333 0.750000 Mg\n0.333333 0.666668 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6333077987160505,
"density_atomic": 0.02824789004032007,
"volume": 212.40524483194338,
"volume_molar": 21.318904709003757,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0950688333333333,
"spacegroup": 194
},
{
"id": "jvasp-66044",
"created_at": "2022-09-04T14:35:57.185391Z",
"updated_at": "2022-09-04T14:35:57.185416Z",
"structure_string": "Ba4 Hf1 Tc1\n1.0\n-0.000000 4.735619 4.735619\n4.735619 -0.000000 4.735619\n4.735619 4.735619 -0.000000\nBa Hf Tc\n4 1 1\ndirect\n0.123722 0.625426 0.625426 Ba\n0.625426 0.625426 0.625426 Ba\n0.625426 0.123722 0.625426 Ba\n0.625426 0.625426 0.123722 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Tc"
],
"chemical_system": "Ba-Hf-Tc",
"density": 6.455987271775704,
"density_atomic": 0.028248213806890327,
"volume": 212.40281035172833,
"volume_molar": 21.31866036262822,
"formula_full": "Ba4 Hf1 Tc1",
"formula_reduced": "Ba4HfTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0877713966666667,
"spacegroup": 216
},
{
"id": "jvasp-111627",
"created_at": "2022-09-04T14:38:40.650589Z",
"updated_at": "2022-09-04T14:38:40.650623Z",
"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.417950 -0.019598 0.572174\n-7.005056 4.668130 0.572174\n-0.011802 -0.038828 5.414475\nCa Zn Si O\n2 2 2 10\ndirect\n0.225511 0.083976 0.112755 Ca\n0.083976 0.225511 0.612755 Ca\n0.768817 0.269285 0.992445 Zn\n0.269285 0.768818 0.492445 Zn\n0.650895 0.376216 0.508187 Si\n0.376216 0.650896 0.008186 Si\n0.787872 0.836387 0.365883 O\n0.836387 0.787872 0.865883 O\n0.702999 0.992231 0.922337 O\n0.992231 0.702999 0.422337 O\n0.597137 0.179209 0.339378 O\n0.179209 0.597137 0.839378 O\n0.549997 0.232902 0.807729 O\n0.232902 0.549998 0.307729 O\n0.441465 0.347094 0.435286 O\n0.347094 0.441465 0.935286 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zn",
"density": 3.339385751151804,
"density_atomic": 0.07533004872820949,
"volume": 212.39864131414458,
"volume_molar": 7.994340720165813,
"formula_full": "Ca2 Zn2 Si2 O10",
"formula_reduced": "CaZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.6556158649999997,
"spacegroup": 9
}
]
}