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=1013",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1011",
"results": [
{
"id": "jvasp-112864",
"created_at": "2022-09-04T14:38:44.011549Z",
"updated_at": "2022-09-04T14:38:44.011561Z",
"structure_string": "Na4 Fe4 B4 O12\n1.0\n4.943602 -0.000216 0.958308\n0.000373 8.950508 0.000832\n0.019209 -0.000926 5.546486\nNa Fe B O\n4 4 4 12\ndirect\n-0.000008 0.335241 0.749958 Na\n0.500003 0.835222 0.750022 Na\n0.499994 0.164755 0.249985 Na\n0.000011 0.664781 0.250038 Na\n0.500010 0.499998 0.499974 Fe\n0.499997 0.499998 0.000021 Fe\n-0.000011 0.000001 0.500027 Fe\n0.000002 0.000002 0.999979 Fe\n0.000001 0.331660 0.249964 B\n0.500001 0.831674 0.250030 B\n0.499991 0.168338 0.749974 B\n0.000005 0.668326 0.750034 B\n0.214759 0.407694 0.314696 O\n0.500012 0.323278 0.749919 O\n-0.000031 0.823270 0.750021 O\n0.000028 0.176718 0.249982 O\n0.499998 0.676732 0.250075 O\n0.285204 0.092321 0.685263 O\n0.785244 0.592294 0.685305 O\n0.714748 0.092327 0.814740 O\n0.214807 0.592336 0.814768 O\n0.785209 0.407657 0.185222 O\n0.285229 0.907676 0.185274 O\n0.714787 0.907693 0.314741 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Na-O",
"density": 3.727767567585427,
"density_atomic": 0.09785742653782414,
"volume": 245.25476347697995,
"volume_molar": 6.153994615495334,
"formula_full": "Na4 Fe4 B4 O12",
"formula_reduced": "NaFeBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.3518129305555555,
"spacegroup": 15
},
{
"id": "jvasp-29730",
"created_at": "2022-09-04T14:38:07.803479Z",
"updated_at": "2022-09-04T14:38:07.803498Z",
"structure_string": "Ta3 Te6\n1.0\n3.690441 0.000062 -0.000025\n-1.845241 6.978399 -2.718339\n0.000062 -0.031892 9.534985\nTa Te\n3 6\ndirect\n0.363027 0.720783 0.709039 Ta\n0.640836 0.276376 0.289518 Ta\n0.001914 0.998577 0.999274 Ta\n0.354194 0.703130 0.985539 Te\n0.649647 0.294032 0.013019 Te\n0.706422 0.407618 0.619882 Te\n0.996017 0.986757 0.692089 Te\n0.007855 0.010403 0.306467 Te\n0.297377 0.589546 0.378672 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 8.859604194956038,
"density_atomic": 0.03669887164762764,
"volume": 245.23914757967214,
"volume_molar": 16.409607406524433,
"formula_full": "Ta3 Te6",
"formula_reduced": "TaTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4111582444444446,
"spacegroup": 12
},
{
"id": "jvasp-61884",
"created_at": "2022-09-04T14:36:19.781373Z",
"updated_at": "2022-09-04T14:36:19.781404Z",
"structure_string": "Te4 As4 Ru4\n1.0\n0.000000 6.453897 0.001731\n6.381122 0.000000 0.000000\n0.000000 -2.602037 -5.955527\nTe As Ru\n4 4 4\ndirect\n0.155518 0.374400 0.365711 Te\n0.844483 0.874400 0.134290 Te\n0.844482 0.625600 0.634290 Te\n0.155518 0.125600 0.865711 Te\n0.353951 0.644924 0.168229 As\n0.646049 0.144924 0.331771 As\n0.646049 0.355076 0.831771 As\n0.353951 0.855076 0.668230 As\n0.284794 0.991128 0.294160 Ru\n0.715207 0.491128 0.205841 Ru\n0.715206 0.008871 0.705841 Ru\n0.284794 0.508871 0.794160 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"As",
"Ru"
],
"chemical_system": "As-Ru-Te",
"density": 8.222624524957453,
"density_atomic": 0.04893198855604129,
"volume": 245.238347226713,
"volume_molar": 12.307165389575177,
"formula_full": "Te4 As4 Ru4",
"formula_reduced": "TeAsRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.162400005555556,
"spacegroup": 14
},
{
"id": "jvasp-98223",
"created_at": "2022-09-04T14:36:08.638299Z",
"updated_at": "2022-09-04T14:36:08.638327Z",
"structure_string": "Hg4 P2 Cl4\n1.0\n5.609505 -0.031704 2.020616\n-0.198053 5.606097 2.020616\n-0.023776 -0.024492 7.781881\nHg P Cl\n4 2 4\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.287446 0.287447 0.430060 Hg\n0.712553 0.712554 0.569941 Hg\n0.359627 0.359627 0.086705 P\n0.640372 0.640374 0.913296 P\n0.273115 0.726886 0.500000 Cl\n0.726884 0.273116 0.500000 Cl\n0.894631 0.894632 0.216915 Cl\n0.105368 0.105369 0.783086 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hg",
"P",
"Cl"
],
"chemical_system": "Cl-Hg-P",
"density": 6.81280364655865,
"density_atomic": 0.04077811986083252,
"volume": 245.22955040909142,
"volume_molar": 14.768068710750644,
"formula_full": "Hg4 P2 Cl4",
"formula_reduced": "Hg2PCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-537",
"created_at": "2022-09-04T14:36:06.014790Z",
"updated_at": "2022-09-04T14:36:06.014810Z",
"structure_string": "Ta3 Te6\n1.0\n1.845176 7.489681 -0.050370\n-1.845176 7.489681 -0.050370\n0.000000 3.547921 8.848295\nTa Te\n3 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.361077 0.361077 0.290240 Ta\n0.638923 0.638923 0.709761 Ta\n0.352305 0.352305 0.013640 Te\n0.647695 0.647695 0.986360 Te\n0.704520 0.704520 0.379348 Te\n0.295479 0.295479 0.620653 Te\n0.005971 0.005971 0.692729 Te\n0.994028 0.994028 0.307272 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 8.860206653923345,
"density_atomic": 0.03670136719526471,
"volume": 245.22247228874892,
"volume_molar": 16.408491618200504,
"formula_full": "Ta3 Te6",
"formula_reduced": "TaTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.411128244444445,
"spacegroup": 12
},
{
"id": "jvasp-110017",
"created_at": "2022-09-04T14:38:17.960507Z",
"updated_at": "2022-09-04T14:38:17.960527Z",
"structure_string": "Nd6 In2\n1.0\n7.115822 -0.000000 0.000000\n-3.557911 6.162483 0.000000\n-0.000000 -0.000000 5.592147\nNd In\n6 2\ndirect\n0.825000 0.174999 0.750000 Nd\n0.350000 0.174999 0.750000 Nd\n0.825000 0.650000 0.750000 Nd\n0.174999 0.825000 0.250000 Nd\n0.650000 0.825000 0.250000 Nd\n0.174999 0.350000 0.250000 Nd\n0.666666 0.333333 0.250000 In\n0.333333 0.666666 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"In"
],
"chemical_system": "In-Nd",
"density": 7.4154707856897515,
"density_atomic": 0.032623503417825044,
"volume": 245.22197685331696,
"volume_molar": 18.459515775701707,
"formula_full": "Nd6 In2",
"formula_reduced": "Nd3In",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0575826666666668,
"spacegroup": 194
},
{
"id": "jvasp-64236",
"created_at": "2022-09-04T14:36:21.433538Z",
"updated_at": "2022-09-04T14:36:21.433563Z",
"structure_string": "Ba4 Zn1 Ge1\n1.0\n-0.000000 4.967835 4.967835\n4.967835 -0.000000 4.967835\n4.967835 4.967835 0.000000\nBa Zn Ge\n4 1 1\ndirect\n0.128081 0.623973 0.623973 Ba\n0.623973 0.623973 0.623973 Ba\n0.623973 0.128081 0.623973 Ba\n0.623973 0.623973 0.128081 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Ge"
],
"chemical_system": "Ba-Ge-Zn",
"density": 4.654788717263111,
"density_atomic": 0.02446919973734652,
"volume": 245.20622106175384,
"volume_molar": 24.61110630769264,
"formula_full": "Ba4 Zn1 Ge1",
"formula_reduced": "Ba4ZnGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-23784",
"created_at": "2022-09-04T14:37:49.611892Z",
"updated_at": "2022-09-04T14:37:49.611913Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n5.563563 0.000000 0.000000\n0.000000 5.595657 0.000000\n0.000000 0.000000 7.876208\nSr Ru O\n4 4 12\ndirect\n0.525273 0.503816 0.750000 Sr\n0.474726 0.496184 0.250000 Sr\n0.974726 0.003816 0.250000 Sr\n0.025273 0.996184 0.750000 Sr\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.996442 0.438781 0.750000 O\n0.218163 0.218270 0.467993 O\n0.218163 0.218270 0.032007 O\n0.281836 0.718270 0.532007 O\n0.781836 0.781730 0.967993 O\n0.718163 0.281730 0.467993 O\n0.281836 0.718270 0.967993 O\n0.718163 0.281730 0.032007 O\n0.496443 0.061219 0.750000 O\n0.781836 0.781730 0.532007 O\n0.503557 0.938781 0.250000 O\n0.003557 0.561219 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Ru",
"O"
],
"chemical_system": "O-Ru-Sr",
"density": 6.411570518165555,
"density_atomic": 0.08156591703008932,
"volume": 245.20045538900868,
"volume_molar": 7.383158283843554,
"formula_full": "Sr4 Ru4 O12",
"formula_reduced": "SrRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.972725462,
"spacegroup": 62
},
{
"id": "jvasp-58195",
"created_at": "2022-09-04T14:37:32.003521Z",
"updated_at": "2022-09-04T14:37:32.003544Z",
"structure_string": "Ni2 W4 O16\n1.0\n0.000000 4.896652 -0.033209\n5.639928 0.000000 0.000000\n0.000000 -4.800476 -8.845807\nNi W O\n2 4 16\ndirect\n-0.000000 0.661954 0.250000 Ni\n-0.000000 0.338046 0.750000 Ni\n0.743645 0.811614 0.510627 W\n0.256355 0.811614 0.989374 W\n0.256355 0.188386 0.489373 W\n0.743645 0.188386 0.010627 W\n0.449745 0.887230 0.881319 O\n0.550254 0.112770 0.118681 O\n0.011328 0.580826 0.625437 O\n-0.011329 0.580826 0.874564 O\n-0.011328 0.419174 0.374563 O\n0.011328 0.419174 0.125437 O\n0.028113 0.892417 0.111135 O\n0.028113 0.107584 0.611135 O\n0.971886 0.107584 0.888866 O\n0.449746 0.112770 0.381319 O\n0.569989 0.354864 0.639345 O\n0.430010 0.354864 0.860656 O\n0.430011 0.645136 0.360656 O\n0.569989 0.645136 0.139345 O\n0.971886 0.892417 0.388866 O\n0.550254 0.887230 0.618681 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ni",
"W",
"O"
],
"chemical_system": "Ni-O-W",
"density": 7.5088250020946266,
"density_atomic": 0.08972571901166972,
"volume": 245.19168241091145,
"volume_molar": 6.7117219302714775,
"formula_full": "Ni2 W4 O16",
"formula_reduced": "Ni(WO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.816289127272727,
"spacegroup": 13
},
{
"id": "jvasp-90710",
"created_at": "2022-09-04T14:36:12.362860Z",
"updated_at": "2022-09-04T14:36:12.362895Z",
"structure_string": "Tb2 Te6\n1.0\n-4.352625 0.000000 0.000000\n0.000000 -0.000000 -4.354044\n2.176312 -12.937238 -0.000000\nTb Te\n2 6\ndirect\n0.170264 0.749999 0.340528 Tb\n0.829735 0.250000 0.659472 Tb\n0.926710 0.749999 0.853419 Te\n0.073290 0.250000 0.146581 Te\n0.573350 0.749999 0.146701 Te\n0.426649 0.250000 0.853299 Te\n0.294082 0.749999 0.588164 Te\n0.705918 0.250000 0.411837 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 7.337914017378309,
"density_atomic": 0.03262904430276366,
"volume": 245.1803346052157,
"volume_molar": 18.45638108220635,
"formula_full": "Tb2 Te6",
"formula_reduced": "TbTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8011204250000001,
"spacegroup": 63
},
{
"id": "jvasp-64484",
"created_at": "2022-09-04T14:36:09.753950Z",
"updated_at": "2022-09-04T14:36:09.753982Z",
"structure_string": "Ba4 Hf1 Se1\n1.0\n-0.000000 4.967546 4.967546\n4.967546 0.000000 4.967546\n4.967546 4.967546 -0.000000\nBa Hf Se\n4 1 1\ndirect\n0.124193 0.625269 0.625269 Ba\n0.625269 0.625269 0.625269 Ba\n0.625269 0.124193 0.625269 Ba\n0.625269 0.625269 0.124193 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Se"
],
"chemical_system": "Ba-Hf-Se",
"density": 5.464327118580872,
"density_atomic": 0.02447347066516935,
"volume": 245.1634294983425,
"volume_molar": 24.606811360722585,
"formula_full": "Ba4 Hf1 Se1",
"formula_reduced": "Ba4HfSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1800917077777775,
"spacegroup": 216
},
{
"id": "jvasp-52218",
"created_at": "2022-09-04T14:36:19.121637Z",
"updated_at": "2022-09-04T14:36:19.121655Z",
"structure_string": "Ti8 O13\n1.0\n6.485873 -0.003506 -0.002804\n1.826584 6.223354 -0.002804\n1.826584 1.366753 6.071420\nTi O\n8 13\ndirect\n0.058797 0.316845 0.875036 Ti\n0.277167 0.277167 0.277167 Ti\n0.316845 0.875035 0.058799 Ti\n0.124963 0.941201 0.683155 Ti\n0.875036 0.058797 0.316847 Ti\n0.683153 0.124963 0.941203 Ti\n0.722832 0.722831 0.722834 Ti\n0.941201 0.683153 0.124965 Ti\n0.741588 0.419329 0.828974 O\n0.795893 0.041055 0.643557 O\n0.643556 0.795892 0.041057 O\n0.419329 0.828972 0.741590 O\n0.580669 0.171026 0.258412 O\n0.041055 0.643556 0.795894 O\n0.204106 0.958943 0.356444 O\n0.258411 0.580669 0.171027 O\n0.958944 0.356442 0.204108 O\n0.171026 0.258411 0.580670 O\n0.000000 0.000000 0.000000 O\n0.356442 0.204106 0.958945 O\n0.828972 0.741588 0.419331 O\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.002612552039837,
"density_atomic": 0.08566019023860934,
"volume": 245.15472054759385,
"volume_molar": 7.0302677862670215,
"formula_full": "Ti8 O13",
"formula_reduced": "Ti8O13",
"formula_anonymous": "A8B13",
"energy_above_hull": 3.590924388888889,
"spacegroup": 148
}
]
}