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=-nelements&page=1525",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1523",
"results": [
{
"id": "jvasp-18894",
"created_at": "2022-09-04T14:35:40.814209Z",
"updated_at": "2022-09-04T14:35:40.814230Z",
"structure_string": "Ti1 Ni1 O6\n1.0\n4.417163 0.107315 3.293122\n1.711759 4.073417 3.293122\n0.157322 0.107315 5.507379\nTi Ni O\n1 1 6\ndirect\n0.855874 0.855873 0.855875 Ti\n0.656484 0.656483 0.656485 Ni\n0.023036 0.748490 0.458865 O\n0.458865 0.023034 0.748491 O\n0.748490 0.458865 0.023036 O\n0.268624 0.588512 0.892913 O\n0.588513 0.892913 0.268624 O\n0.892913 0.268622 0.588514 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Ni",
"O"
],
"chemical_system": "Ni-O-Ti",
"density": 3.5379027168760557,
"density_atomic": 0.08414725415716223,
"volume": 95.07143257530853,
"volume_molar": 7.156669365291966,
"formula_full": "Ti1 Ni1 O6",
"formula_reduced": "TiNiO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.7064839666666667,
"spacegroup": 146
},
{
"id": "jvasp-75507",
"created_at": "2022-09-04T14:35:40.815476Z",
"updated_at": "2022-09-04T14:35:40.815498Z",
"structure_string": "Cu1 Mo2 As1\n1.0\n0.000000 3.108005 3.108005\n3.108005 0.000000 3.108005\n3.108005 3.108005 -0.000000\nCu Mo As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Mo\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"As"
],
"chemical_system": "As-Cu-Mo",
"density": 9.135769453707496,
"density_atomic": 0.0666169690594362,
"volume": 60.04476121438619,
"volume_molar": 9.039950098340555,
"formula_full": "Cu1 Mo2 As1",
"formula_reduced": "CuMo2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.558041,
"spacegroup": 216
},
{
"id": "jvasp-86858",
"created_at": "2022-09-04T14:35:40.821999Z",
"updated_at": "2022-09-04T14:35:40.822013Z",
"structure_string": "Ti8 Mn2 Bi4\n1.0\n4.756501 -0.000000 1.595918\n2.378250 7.440992 0.797960\n0.011300 -0.000000 7.852456\nTi Mn Bi\n8 2 4\ndirect\n0.691346 0.888065 0.729242 Ti\n0.308654 0.111934 0.270759 Ti\n0.579412 0.729241 0.111935 Ti\n0.079412 0.111934 0.729242 Ti\n0.808654 0.270759 0.111935 Ti\n0.420588 0.270759 0.888066 Ti\n0.920588 0.888065 0.270759 Ti\n0.191346 0.729241 0.888066 Ti\n0.250000 0.000000 0.000000 Mn\n0.750000 0.000000 0.000000 Mn\n0.139596 0.500000 0.220809 Bi\n0.360404 0.779191 0.500000 Bi\n0.860404 0.500000 0.779192 Bi\n0.639596 0.220809 0.500000 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Bi"
],
"chemical_system": "Bi-Mn-Ti",
"density": 7.942785684542226,
"density_atomic": 0.0503980619393331,
"volume": 277.78845973983215,
"volume_molar": 11.94915147183473,
"formula_full": "Ti8 Mn2 Bi4",
"formula_reduced": "Ti4MnBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.4411855963875206,
"spacegroup": 140
},
{
"id": "jvasp-49784",
"created_at": "2022-09-04T14:35:40.831342Z",
"updated_at": "2022-09-04T14:35:40.831379Z",
"structure_string": "Na2 Sb2 O4\n1.0\n3.733188 3.686686 -0.262845\n-3.733188 3.686686 0.262845\n-3.197550 0.000000 4.670545\nNa Sb O\n2 2 4\ndirect\n0.374073 0.374074 0.749999 Na\n0.625928 0.625928 0.250000 Na\n0.886057 0.886058 0.749999 Sb\n0.113944 0.113944 0.250000 Sb\n0.264988 0.861937 0.746640 O\n0.138064 0.735013 0.246641 O\n0.861936 0.264989 0.753358 O\n0.735013 0.138064 0.253359 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Sb",
"O"
],
"chemical_system": "Na-O-Sb",
"density": 4.79707907076969,
"density_atomic": 0.06537803508948072,
"volume": 122.36525599233244,
"volume_molar": 9.211259946490744,
"formula_full": "Na2 Sb2 O4",
"formula_reduced": "NaSbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.016958025,
"spacegroup": 15
},
{
"id": "jvasp-91692",
"created_at": "2022-09-04T14:35:40.834622Z",
"updated_at": "2022-09-04T14:35:40.834649Z",
"structure_string": "Tm2 Cu2 Sb4\n1.0\n4.294052 0.000000 -0.000000\n-0.000000 4.294052 -0.000000\n-0.000000 -0.000000 9.745096\nTm Cu Sb\n2 2 4\ndirect\n0.750000 0.750000 0.751196 Tm\n0.250000 0.250000 0.248805 Tm\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.334457 Sb\n0.250000 0.250000 0.665543 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tm",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Tm",
"density": 8.797626435033704,
"density_atomic": 0.04452144654640291,
"volume": 179.688680862198,
"volume_molar": 13.526381614135932,
"formula_full": "Tm2 Cu2 Sb4",
"formula_reduced": "TmCuSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.897729225,
"spacegroup": 129
},
{
"id": "jvasp-71098",
"created_at": "2022-09-04T14:35:40.882398Z",
"updated_at": "2022-09-04T14:35:40.882421Z",
"structure_string": "Zr1 Be2 Cd1\n1.0\n4.261114 -0.000000 -0.000000\n0.000000 4.261114 -0.000000\n0.000000 0.000000 3.422804\nZr Be Cd\n1 2 1\ndirect\n0.000000 0.000000 0.499999 Zr\n0.499999 0.000000 0.000000 Be\n0.000000 0.499999 0.000000 Be\n0.499999 0.499999 0.499999 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-Zr",
"density": 5.922524184699091,
"density_atomic": 0.06436231461367482,
"volume": 62.1481689092352,
"volume_molar": 9.356625528691753,
"formula_full": "Zr1 Be2 Cd1",
"formula_reduced": "ZrBe2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5467466125,
"spacegroup": 123
},
{
"id": "jvasp-85486",
"created_at": "2022-09-04T14:35:40.898238Z",
"updated_at": "2022-09-04T14:35:40.898266Z",
"structure_string": "Te2 Pb4 O10\n1.0\n5.335403 -0.000803 2.282050\n1.762926 6.141868 3.255544\n0.012907 -0.048641 7.352156\nTe Pb O\n2 4 10\ndirect\n0.048968 0.216168 0.685748 Te\n0.048995 0.716167 0.185750 Te\n0.381840 0.536009 0.684451 Pb\n0.716064 0.896339 0.687068 Pb\n0.397495 0.035967 0.184814 Pb\n0.700492 0.396378 0.186706 Pb\n0.293103 0.696273 0.315879 O\n0.988795 0.422751 0.814623 O\n0.804900 0.736065 0.055609 O\n0.694557 0.196234 0.815963 O\n0.773440 0.922167 0.315207 O\n0.403375 0.236101 0.555524 O\n0.324546 0.510160 0.056303 O\n0.109140 0.009576 0.556887 O\n0.181631 0.966477 0.935946 O\n0.916327 0.465868 0.435556 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Te",
"Pb",
"O"
],
"chemical_system": "O-Pb-Te",
"density": 8.55702859576828,
"density_atomic": 0.06627894437930723,
"volume": 241.403965465016,
"volume_molar": 9.086054125328157,
"formula_full": "Te2 Pb4 O10",
"formula_reduced": "TePb2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8021446133333328,
"spacegroup": 15
},
{
"id": "jvasp-65788",
"created_at": "2022-09-04T14:35:40.931464Z",
"updated_at": "2022-09-04T14:35:40.931485Z",
"structure_string": "Ba2 Na1 Fe1\n1.0\n0.000000 4.154303 4.154303\n4.154303 0.000000 4.154303\n4.154303 4.154303 0.000000\nBa Na Fe\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Fe"
],
"chemical_system": "Ba-Fe-Na",
"density": 4.093551084434257,
"density_atomic": 0.02789558593043278,
"volume": 143.39186170799113,
"volume_molar": 21.588149376099416,
"formula_full": "Ba2 Na1 Fe1",
"formula_reduced": "Ba2NaFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6768641099999999,
"spacegroup": 225
},
{
"id": "jvasp-90503",
"created_at": "2022-09-04T14:35:40.965297Z",
"updated_at": "2022-09-04T14:35:40.965320Z",
"structure_string": "Rb2 Ni1 F6\n1.0\n5.145491 -0.000000 2.970751\n1.715164 4.851216 2.970751\n-0.000000 0.000000 5.941502\nRb Ni F\n2 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.215650 0.784349 0.784349 F\n0.215650 0.784349 0.215651 F\n0.784348 0.215651 0.784348 F\n0.784348 0.215651 0.215651 F\n0.784348 0.784349 0.215651 F\n0.215651 0.215651 0.784349 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"F"
],
"chemical_system": "F-Ni-Rb",
"density": 3.8472739717938924,
"density_atomic": 0.060683249264948315,
"volume": 148.31110906248975,
"volume_molar": 9.923893056066943,
"formula_full": "Rb2 Ni1 F6",
"formula_reduced": "Rb2NiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-73710",
"created_at": "2022-09-04T14:35:40.763599Z",
"updated_at": "2022-09-04T14:35:40.763623Z",
"structure_string": "Be2 Ge1 W1\n1.0\n-1.767624 1.767624 3.968937\n1.767624 -1.767624 3.968937\n1.767624 1.767624 -3.968937\nBe Ge W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.749999 0.499999 Ge\n0.749999 0.250000 0.499999 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"W"
],
"chemical_system": "Be-Ge-W",
"density": 9.189341150347847,
"density_atomic": 0.08063916378127847,
"volume": 49.603688982308825,
"volume_molar": 7.4680099316681225,
"formula_full": "Be2 Ge1 W1",
"formula_reduced": "Be2GeW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1502595375,
"spacegroup": 139
},
{
"id": "jvasp-5518",
"created_at": "2022-09-04T14:35:40.766734Z",
"updated_at": "2022-09-04T14:35:40.766748Z",
"structure_string": "P12 Se16 I4\n1.0\n0.000000 11.302487 0.048383\n6.515072 0.000000 0.000000\n0.000000 -6.566263 -12.703941\nP Se I\n12 16 4\ndirect\n0.828168 0.148520 0.868790 P\n0.709737 0.274739 0.548619 P\n0.290264 0.774739 0.951381 P\n0.709737 0.225261 0.048619 P\n0.670379 0.606872 0.508970 P\n0.329622 0.106873 0.991030 P\n0.290264 0.725261 0.451381 P\n0.670379 0.893127 0.008970 P\n0.828168 0.351480 0.368790 P\n0.171833 0.851480 0.131210 P\n0.171833 0.648519 0.631210 P\n0.329621 0.393127 0.491030 P\n0.463171 0.827645 0.609564 Se\n0.638503 0.174197 0.272631 Se\n0.361497 0.674196 0.227369 Se\n0.361498 0.825803 0.727369 Se\n0.638503 0.325803 0.772631 Se\n0.536829 0.172354 0.390436 Se\n0.463171 0.672354 0.109564 Se\n0.536830 0.327646 0.890436 Se\n0.897420 0.207989 0.532999 Se\n0.253608 0.165759 0.111399 Se\n0.253608 0.334241 0.611399 Se\n0.746393 0.834241 0.888602 Se\n0.102581 0.707989 0.967001 Se\n0.102581 0.792010 0.467001 Se\n0.897419 0.292010 0.032999 Se\n0.746392 0.665758 0.388602 Se\n0.142714 0.236403 0.815055 I\n0.857287 0.763597 0.184945 I\n0.142714 0.263597 0.315055 I\n0.857287 0.736402 0.684945 I\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"Se",
"I"
],
"chemical_system": "I-P-Se",
"density": 3.8118275414414233,
"density_atomic": 0.03428311294229959,
"volume": 933.404153055115,
"volume_molar": 17.565909986457772,
"formula_full": "P12 Se16 I4",
"formula_reduced": "P3Se4I",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.0594082802083333,
"spacegroup": 14
},
{
"id": "jvasp-65743",
"created_at": "2022-09-04T14:35:40.767819Z",
"updated_at": "2022-09-04T14:35:40.767829Z",
"structure_string": "Ba1 P1 Se4\n1.0\n-0.000000 4.232428 4.232428\n4.232428 0.000000 4.232428\n4.232428 4.232428 0.000000\nBa P Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 P\n0.122387 0.625871 0.625871 Se\n0.625871 0.625871 0.625871 Se\n0.625871 0.122387 0.625871 Se\n0.625871 0.625871 0.122387 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"P",
"Se"
],
"chemical_system": "Ba-P-Se",
"density": 5.301783811009279,
"density_atomic": 0.03956876706864123,
"volume": 151.63474741559688,
"volume_molar": 15.219429884062846,
"formula_full": "Ba1 P1 Se4",
"formula_reduced": "BaPSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5274874894444443,
"spacegroup": 216
}
]
}