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=-energy_above_hull&page=1281",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1279",
"results": [
{
"id": "jvasp-86936",
"created_at": "2022-09-04T14:36:19.737164Z",
"updated_at": "2022-09-04T14:36:19.737188Z",
"structure_string": "K2 La2 Ti3 O10\n1.0\n3.867973 -0.000000 -0.498613\n-0.064275 3.867439 -0.498613\n-0.013555 -0.013782 15.147000\nK La Ti O\n2 2 3 10\ndirect\n0.707970 0.707972 0.415942 K\n0.292029 0.292029 0.584059 K\n0.571784 0.571785 0.143570 La\n0.428215 0.428215 0.856430 La\n0.000000 0.000000 0.000000 Ti\n0.859048 0.859050 0.718099 Ti\n0.140951 0.140951 0.281901 Ti\n0.064704 0.064704 0.129408 O\n0.799840 0.799842 0.599683 O\n0.935295 0.935297 0.870593 O\n0.627390 0.127390 0.254780 O\n0.127389 0.627390 0.254780 O\n0.372610 0.872611 0.745220 O\n0.872610 0.372610 0.745220 O\n0.200159 0.200159 0.400318 O\n0.500000 0.000000 0.000000 O\n-0.000001 0.500000 0.000000 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"K",
"La",
"Ti",
"O"
],
"chemical_system": "K-La-O-Ti",
"density": 4.835036863551324,
"density_atomic": 0.07504422798260814,
"volume": 226.53307865249585,
"volume_molar": 8.024788743773417,
"formula_full": "K2 La2 Ti3 O10",
"formula_reduced": "K2La2Ti3O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.5705144705882352,
"spacegroup": 139
},
{
"id": "jvasp-1540",
"created_at": "2022-09-04T14:36:37.512904Z",
"updated_at": "2022-09-04T14:36:37.512929Z",
"structure_string": "Al2 Os1\n1.0\n3.010270 -0.000000 -1.071445\n-0.381360 2.986017 -1.071445\n-0.007036 -0.007992 4.744696\nAl Os\n2 1\ndirect\n0.338488 0.338490 0.676979 Al\n0.661510 0.661512 0.323019 Al\n0.000000 0.000000 0.000000 Os\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Os"
],
"chemical_system": "Al-Os",
"density": 9.519225459759056,
"density_atomic": 0.07042720005248629,
"volume": 42.59717833115944,
"volume_molar": 8.5508734629688,
"formula_full": "Al2 Os1",
"formula_reduced": "Al2Os",
"formula_anonymous": "AB2",
"energy_above_hull": 2.570500200000001,
"spacegroup": 139
},
{
"id": "jvasp-96745",
"created_at": "2022-09-04T14:36:12.255100Z",
"updated_at": "2022-09-04T14:36:12.255122Z",
"structure_string": "Y4 Cr4 O12\n1.0\n5.250824 0.000000 0.000000\n0.000000 5.576132 0.000000\n0.000000 0.000000 7.560802\nY Cr O\n4 4 12\ndirect\n0.980873 0.070271 0.250000 Y\n0.519126 0.570271 0.250000 Y\n0.019127 0.929729 0.750000 Y\n0.480873 0.429729 0.750000 Y\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.891120 0.537010 0.750000 O\n0.391121 0.962990 0.250000 O\n0.691431 0.302971 0.444691 O\n0.691431 0.302971 0.055309 O\n0.191432 0.197029 0.944691 O\n0.808568 0.802971 0.444691 O\n0.308568 0.697029 0.555309 O\n0.308568 0.697029 0.944691 O\n0.808568 0.802971 0.055309 O\n0.191432 0.197029 0.555309 O\n0.108879 0.462990 0.250000 O\n0.608879 0.037010 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 5.667780451358158,
"density_atomic": 0.09034448010404043,
"volume": 221.37489724848777,
"volume_molar": 6.6657539598046505,
"formula_full": "Y4 Cr4 O12",
"formula_reduced": "YCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.57045667,
"spacegroup": 62
},
{
"id": "jvasp-54741",
"created_at": "2022-09-04T14:37:35.638220Z",
"updated_at": "2022-09-04T14:37:35.638245Z",
"structure_string": "Sr2 H8 O12\n1.0\n3.640143 4.727629 0.400017\n-3.640143 4.727629 -0.400017\n0.215543 0.000000 6.083840\nSr H O\n2 8 12\ndirect\n0.816545 0.814592 0.768609 Sr\n0.185408 0.183455 0.268609 Sr\n-0.086264 0.614503 0.240293 H\n0.704167 0.012666 0.292648 H\n-0.012666 0.295833 0.792648 H\n0.385496 0.086263 0.740294 H\n0.669096 0.392573 0.105607 H\n0.607427 0.330904 0.605607 H\n0.338863 0.729822 0.432534 H\n0.270178 0.661137 0.932534 H\n0.432540 0.167142 0.594129 O\n0.051633 0.438162 0.949512 O\n0.377738 0.944220 0.907188 O\n0.746970 0.400321 0.596075 O\n0.599680 0.253030 0.096075 O\n0.235850 0.729912 0.313385 O\n0.270088 0.764150 0.813385 O\n0.928343 0.201926 0.653568 O\n0.798074 0.071657 0.153568 O\n0.832859 0.567459 0.094129 O\n0.055780 0.622262 0.407188 O\n0.561839 0.948367 0.449512 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.9877752329821616,
"density_atomic": 0.10547443321760325,
"volume": 208.58135311912054,
"volume_molar": 5.709573947248222,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.570408846363636,
"spacegroup": 9
},
{
"id": "jvasp-68220",
"created_at": "2022-09-04T14:36:14.798587Z",
"updated_at": "2022-09-04T14:36:14.798617Z",
"structure_string": "Sc2 Be1 Co1\n1.0\n-2.167564 2.167564 3.069900\n2.167564 -2.167564 3.069900\n2.167564 2.167564 -3.069900\nSc Be Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.749999 0.499999 Sc\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Co"
],
"chemical_system": "Be-Co-Sc",
"density": 4.54344647813543,
"density_atomic": 0.06933171008477035,
"volume": 57.693658430021244,
"volume_molar": 8.685983300623715,
"formula_full": "Sc2 Be1 Co1",
"formula_reduced": "Sc2BeCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.570406875,
"spacegroup": 216
},
{
"id": "jvasp-97502",
"created_at": "2022-09-04T14:35:49.104180Z",
"updated_at": "2022-09-04T14:35:49.104214Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.812547 0.000000 0.000000\n0.000000 5.389684 -0.000000\n0.000000 0.000000 7.170204\nH Cl O\n12 4 20\ndirect\n0.177970 0.900272 0.064487 H\n0.177970 0.599727 0.064487 H\n0.285360 0.749999 0.214581 H\n0.785360 0.749999 0.285418 H\n0.677970 0.599727 0.435513 H\n0.677970 0.900272 0.435513 H\n0.714640 0.250000 0.785418 H\n0.822030 0.099728 0.935512 H\n0.822030 0.400272 0.935512 H\n0.214640 0.250000 0.714581 H\n0.322030 0.400272 0.564487 H\n0.322030 0.099728 0.564487 H\n0.585082 0.749999 0.802900 Cl\n0.085081 0.749999 0.697100 Cl\n0.914919 0.250000 0.302900 Cl\n0.414919 0.250000 0.197100 Cl\n0.093219 0.528296 0.818316 O\n0.686842 0.749999 0.354522 O\n0.186841 0.749999 0.145478 O\n0.406782 0.028297 0.318316 O\n0.906782 0.471703 0.181684 O\n0.593219 0.528296 0.681684 O\n0.093219 0.971703 0.818316 O\n0.593219 0.971703 0.681684 O\n0.406782 0.471703 0.318316 O\n0.283027 0.250000 0.071349 O\n0.445092 0.749999 0.906771 O\n0.945092 0.749999 0.593229 O\n0.554909 0.250000 0.093229 O\n0.054909 0.250000 0.406771 O\n0.716973 0.749999 0.928651 O\n0.216973 0.749999 0.571348 O\n0.813159 0.250000 0.854522 O\n0.783027 0.250000 0.428651 O\n0.906782 0.028297 0.181684 O\n0.313159 0.250000 0.645478 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 2.3106556003032255,
"density_atomic": 0.10570760654079842,
"volume": 340.56205771819845,
"volume_molar": 5.69697958081732,
"formula_full": "H12 Cl4 O20",
"formula_reduced": "H3ClO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.5704068408333334,
"spacegroup": 62
},
{
"id": "jvasp-34368",
"created_at": "2022-09-04T14:37:13.795129Z",
"updated_at": "2022-09-04T14:37:13.795148Z",
"structure_string": "Ca4 Ru4 O14\n1.0\n6.264123 0.000000 3.616593\n2.088041 5.905872 3.616593\n0.000000 0.000000 7.233186\nCa Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.500000 -0.000000 -0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n-0.000000 -0.000000 0.500000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.375000 0.375000 0.375000 O\n0.068401 0.681599 0.068401 O\n0.681599 0.068401 0.681599 O\n0.068401 0.681599 0.681599 O\n0.625000 0.625000 0.625000 O\n0.681599 0.068401 0.068401 O\n0.681599 0.681599 0.068401 O\n0.068401 0.068401 0.681599 O\n0.931599 0.931599 0.318401 O\n0.318401 0.931599 0.318401 O\n0.931599 0.318401 0.931599 O\n0.931599 0.318401 0.318401 O\n0.318401 0.931599 0.931599 O\n0.318401 0.318401 0.931599 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 4.893537248647977,
"density_atomic": 0.08221456076294212,
"volume": 267.5925018128469,
"volume_molar": 7.324907782897814,
"formula_full": "Ca4 Ru4 O14",
"formula_reduced": "Ca2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.570233303636364,
"spacegroup": 227
},
{
"id": "jvasp-17495",
"created_at": "2022-09-04T14:38:33.429647Z",
"updated_at": "2022-09-04T14:38:33.429675Z",
"structure_string": "Pr3 In1 C1\n1.0\n5.797462 -0.000000 -0.000000\n0.000000 5.797462 -0.000000\n-0.000000 -0.000000 5.797462\nPr In C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"In",
"C"
],
"chemical_system": "C-In-Pr",
"density": 4.683212686099927,
"density_atomic": 0.02565997756030557,
"volume": 194.85597710477725,
"volume_molar": 23.46900244104612,
"formula_full": "Pr3 In1 C1",
"formula_reduced": "Pr3InC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5701559040000004,
"spacegroup": 221
},
{
"id": "jvasp-47547",
"created_at": "2022-09-04T14:36:34.041610Z",
"updated_at": "2022-09-04T14:36:34.041632Z",
"structure_string": "Li3 Fe2 Co1 O6\n1.0\n2.834744 0.001985 -0.001195\n-0.004201 5.710417 0.023395\n-1.414336 -1.513720 6.027681\nLi Fe Co O\n3 2 1 6\ndirect\n0.663591 0.334803 0.329175 Li\n0.334035 0.661421 0.670317 Li\n-0.001091 0.998116 0.999760 Li\n0.667565 0.836165 0.337173 Fe\n0.330103 0.160158 0.662424 Fe\n0.998848 0.498161 -0.000206 Co\n0.507192 0.732409 0.016424 O\n0.159393 0.599926 0.320881 O\n0.828118 0.925125 0.658464 O\n0.169550 0.071194 0.341128 O\n0.838266 0.396394 0.678714 O\n0.490516 0.263917 0.983170 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.887251845489294,
"density_atomic": 0.12286996735446508,
"volume": 97.66422388134477,
"volume_molar": 4.90123086191343,
"formula_full": "Li3 Fe2 Co1 O6",
"formula_reduced": "Li3Fe2CoO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.570011075,
"spacegroup": 12
},
{
"id": "jvasp-120411",
"created_at": "2022-09-04T14:38:54.254287Z",
"updated_at": "2022-09-04T14:38:54.254315Z",
"structure_string": "Ti4 Pb2 O9 F2\n1.0\n5.744325 -0.009881 5.090161\n4.465998 3.612787 5.090161\n-0.004116 -0.001452 10.330647\nTi Pb O F\n4 2 9 2\ndirect\n0.660764 0.660767 0.774131 Ti\n0.339234 0.339235 0.225869 Ti\n0.621001 0.621003 0.453223 Ti\n0.378997 0.378999 0.546777 Ti\n0.082523 0.082523 0.159089 Pb\n0.917475 0.917478 0.840911 Pb\n0.379434 0.379435 0.353187 O\n0.620564 0.620567 0.646813 O\n0.561954 0.561956 0.335916 O\n0.438043 0.438046 0.664085 O\n0.852503 0.852506 0.569612 O\n0.147495 0.147496 0.430388 O\n0.802590 0.802593 0.240849 O\n0.197407 0.197409 0.759152 O\n0.499999 0.500001 -0.000000 O\n0.713993 0.713996 0.936564 F\n0.286005 0.286006 0.063436 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ti",
"Pb",
"O",
"F"
],
"chemical_system": "F-O-Pb-Ti",
"density": 6.086869130702129,
"density_atomic": 0.0790942775996192,
"volume": 214.9333746501257,
"volume_molar": 7.613876683322781,
"formula_full": "Ti4 Pb2 O9 F2",
"formula_reduced": "Ti4Pb2O9F2",
"formula_anonymous": "A2B2C4D9",
"energy_above_hull": 2.569925119901961,
"spacegroup": 12
},
{
"id": "jvasp-70529",
"created_at": "2022-09-04T14:35:59.195210Z",
"updated_at": "2022-09-04T14:35:59.195229Z",
"structure_string": "Ta1 Be2 Tl1\n1.0\n-1.811118 1.811118 4.567979\n1.811118 -1.811118 4.567979\n1.811118 1.811118 -4.567979\nTa Be Tl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Tl"
],
"chemical_system": "Be-Ta-Tl",
"density": 11.17530910117295,
"density_atomic": 0.0667394168426551,
"volume": 59.9345962136649,
"volume_molar": 9.023364369811327,
"formula_full": "Ta1 Be2 Tl1",
"formula_reduced": "TaBe2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5699085,
"spacegroup": 119
},
{
"id": "jvasp-111626",
"created_at": "2022-09-04T14:38:52.872754Z",
"updated_at": "2022-09-04T14:38:52.872769Z",
"structure_string": "Na2 Ti2 Si4 O12\n1.0\n5.173552 -0.011195 1.093310\n1.234647 6.448772 0.754668\n-0.016885 0.015900 6.609065\nNa Ti Si O\n2 2 4 12\ndirect\n0.250039 0.193304 0.306825 Na\n0.749960 0.806695 0.693175 Na\n0.750011 0.412369 0.087643 Ti\n0.249989 0.587630 0.912356 Ti\n0.259149 0.699144 0.386843 Si\n0.740850 0.300854 0.613157 Si\n0.759142 0.886871 0.199081 Si\n0.240858 0.113128 0.800918 Si\n0.149372 0.292646 0.967512 O\n0.850628 0.707353 0.032488 O\n0.008418 0.134630 0.661064 O\n0.991581 0.865369 0.338936 O\n0.508408 0.161016 0.634668 O\n0.813822 0.394490 0.376471 O\n0.649368 0.467480 0.792646 O\n0.350632 0.532519 0.207354 O\n0.686155 0.123562 0.105461 O\n0.186178 0.605509 0.623528 O\n0.491592 0.838983 0.365332 O\n0.313844 0.876437 0.894539 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Ti",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Ti",
"density": 3.3565305566730044,
"density_atomic": 0.09063367234935832,
"volume": 220.66853832102942,
"volume_molar": 6.644484995363466,
"formula_full": "Na2 Ti2 Si4 O12",
"formula_reduced": "NaTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.569907553333333,
"spacegroup": 15
}
]
}