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=spacegroup&page=1246",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1244",
"results": [
{
"id": "jvasp-51577",
"created_at": "2022-09-04T14:37:43.351183Z",
"updated_at": "2022-09-04T14:37:43.351208Z",
"structure_string": "Fe8 Si8 Ge8\n1.0\n6.489720 -0.032877 0.000000\n-1.563642 6.298616 0.000000\n0.000000 -0.000000 8.062280\nFe Si Ge\n8 8 8\ndirect\n0.282406 0.717595 0.500000 Fe\n0.305953 0.305953 0.311748 Fe\n0.717594 0.282405 0.500000 Fe\n0.217595 0.782406 0.000000 Fe\n0.694047 0.694047 0.688252 Fe\n0.805953 0.805953 0.188252 Fe\n0.782406 0.217594 0.000000 Fe\n0.194047 0.194047 0.811748 Fe\n0.413577 0.666660 0.232099 Si\n0.913577 0.166660 0.267901 Si\n0.333340 0.586424 0.767901 Si\n0.086424 0.833341 0.732099 Si\n0.586423 0.333340 0.767901 Si\n0.166660 0.913577 0.267901 Si\n0.666660 0.413577 0.232099 Si\n0.833340 0.086423 0.732099 Si\n0.401723 0.146690 0.048405 Ge\n0.598277 0.853310 0.951595 Ge\n0.646691 0.901723 0.451595 Ge\n0.353310 0.098277 0.548405 Ge\n0.146691 0.401723 0.048405 Ge\n0.901723 0.646690 0.451595 Ge\n0.098277 0.353310 0.548405 Ge\n0.853310 0.598277 0.951595 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"Si",
"Ge"
],
"chemical_system": "Fe-Ge-Si",
"density": 6.319265274692475,
"density_atomic": 0.07291700223949464,
"volume": 329.1413423877796,
"volume_molar": 8.25889789081068,
"formula_full": "Fe8 Si8 Ge8",
"formula_reduced": "FeSiGe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.13497335,
"spacegroup": 64
},
{
"id": "jvasp-895",
"created_at": "2022-09-04T14:37:44.762451Z",
"updated_at": "2022-09-04T14:37:44.762475Z",
"structure_string": "I4\n1.0\n4.346376 -0.102922 0.000000\n-1.833313 3.942149 0.000000\n0.000000 0.000000 9.731427\nI\n4\ndirect\n0.167973 0.167972 0.121776 I\n0.332028 0.332028 0.621776 I\n0.667974 0.667973 0.378224 I\n0.832029 0.832028 0.878224 I\n",
"nsites": 4,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 5.111617308009916,
"density_atomic": 0.024256733392232672,
"volume": 164.9026658008639,
"volume_molar": 24.826676628801014,
"formula_full": "I4",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy_above_hull": 2.627499999996452e-05,
"spacegroup": 64
},
{
"id": "jvasp-25145",
"created_at": "2022-09-04T14:37:44.768037Z",
"updated_at": "2022-09-04T14:37:44.768065Z",
"structure_string": "As4\n1.0\n3.542312 -0.000000 -1.175403\n0.000000 4.607788 -0.000000\n-0.006730 0.000000 5.905146\nAs\n4\ndirect\n0.890932 0.934497 0.781866 As\n0.109068 0.065504 0.218135 As\n0.609068 0.434497 0.218136 As\n0.390932 0.565504 0.781865 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.165001595613112,
"density_atomic": 0.04151588680054318,
"volume": 96.34865850794412,
"volume_molar": 14.505629589300277,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 0.02549175,
"spacegroup": 64
},
{
"id": "jvasp-840",
"created_at": "2022-09-04T14:37:45.856481Z",
"updated_at": "2022-09-04T14:37:45.856500Z",
"structure_string": "Br4\n1.0\n4.000173 -0.182361 0.000000\n-1.638514 3.653753 0.000000\n0.000000 0.000000 8.630024\nBr\n4\ndirect\n0.151190 0.151190 0.118322 Br\n0.348810 0.348810 0.618322 Br\n0.651190 0.651190 0.381678 Br\n0.848810 0.848810 0.881678 Br\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.295545682605233,
"density_atomic": 0.032374325128402284,
"volume": 123.55469910601362,
"volume_molar": 18.601594739396504,
"formula_full": "Br4",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy_above_hull": 3.410500000000649e-05,
"spacegroup": 64
},
{
"id": "jvasp-22882",
"created_at": "2022-09-04T14:37:47.904171Z",
"updated_at": "2022-09-04T14:37:47.904192Z",
"structure_string": "Ba8 Ru6 O20\n1.0\n5.789395 0.000000 0.000000\n-2.894698 6.731710 -0.000000\n0.000000 0.000000 13.091076\nBa Ru O\n8 6 20\ndirect\n0.239935 0.479870 0.888272 Ba\n0.038769 0.077538 0.638344 Ba\n0.961232 0.922462 0.361656 Ba\n0.461231 0.922462 0.138344 Ba\n0.760065 0.520130 0.111728 Ba\n0.739935 0.479870 0.611729 Ba\n0.260065 0.520130 0.388272 Ba\n0.538769 0.077538 0.861657 Ba\n0.000000 0.000000 0.000000 Ru\n0.877512 0.755023 0.848916 Ru\n0.122488 0.244977 0.151084 Ru\n0.622488 0.244977 0.348916 Ru\n0.377512 0.755023 0.651085 Ru\n0.500000 0.000000 0.500000 Ru\n0.628601 0.757200 0.750000 O\n0.963239 0.926477 0.152336 O\n0.036761 0.073523 0.847664 O\n0.231925 0.463849 0.647477 O\n0.128600 0.757200 0.750000 O\n0.463239 0.926477 0.347664 O\n0.536762 0.073523 0.652336 O\n0.119006 0.780866 0.965458 O\n0.338140 0.219134 0.034542 O\n0.380994 0.219134 0.465458 O\n0.161860 0.780866 0.534542 O\n0.880995 0.219134 0.034542 O\n0.661861 0.780866 0.965458 O\n0.619006 0.780866 0.534542 O\n0.838140 0.219134 0.465458 O\n0.731926 0.463849 0.852524 O\n0.268075 0.536151 0.147476 O\n0.768075 0.536151 0.352524 O\n0.371400 0.242800 0.250000 O\n0.871400 0.242800 0.250000 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru",
"density": 6.590909492582045,
"density_atomic": 0.06664153512708172,
"volume": 510.1923287806003,
"volume_molar": 9.036617701732277,
"formula_full": "Ba8 Ru6 O20",
"formula_reduced": "Ba4Ru3O10",
"formula_anonymous": "A3B4C10",
"energy_above_hull": 2.573382375294118,
"spacegroup": 64
},
{
"id": "jvasp-42521",
"created_at": "2022-09-04T14:37:50.883800Z",
"updated_at": "2022-09-04T14:37:50.883819Z",
"structure_string": "Li4 Ti4 Ni2 O12\n1.0\n5.130907 -0.037658 -0.000000\n-2.611021 4.417032 0.000000\n0.000000 -0.000000 10.253982\nLi Ti Ni O\n4 4 2 12\ndirect\n0.165513 0.665512 0.750000 Li\n0.334488 0.834487 0.250000 Li\n0.665513 0.165512 0.750000 Li\n0.834488 0.334487 0.250000 Li\n0.160180 0.839819 0.500000 Ti\n0.339820 0.660180 0.000000 Ti\n0.660181 0.339819 0.000000 Ti\n0.839820 0.160180 0.500000 Ti\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Ni\n0.504904 0.142431 0.391062 O\n0.844786 0.844785 0.398445 O\n0.357569 0.995095 0.891062 O\n0.655214 0.655213 0.898444 O\n0.344786 0.344786 0.101555 O\n0.004904 0.642431 0.108937 O\n0.495096 0.857568 0.608937 O\n0.142431 0.504904 0.391062 O\n0.995096 0.357568 0.891062 O\n0.857569 0.495095 0.608937 O\n0.155214 0.155214 0.601555 O\n0.642431 0.004904 0.108937 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 3.7936463920265986,
"density_atomic": 0.09508100023450072,
"volume": 231.3816634841959,
"volume_molar": 6.33369521265809,
"formula_full": "Li4 Ti4 Ni2 O12",
"formula_reduced": "Li2Ti2NiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.4742209151515158,
"spacegroup": 64
},
{
"id": "jvasp-97581",
"created_at": "2022-09-04T14:37:52.374129Z",
"updated_at": "2022-09-04T14:37:52.374143Z",
"structure_string": "La4 Ni2 O8\n1.0\n4.891889 -0.000000 -2.132820\n0.000000 5.391768 -0.000000\n0.156289 -0.000000 7.034957\nLa Ni O\n4 2 8\ndirect\n0.862531 0.493609 0.725062 La\n0.137469 0.506390 0.274939 La\n0.362532 0.006390 0.725062 La\n0.637469 0.993611 0.274939 La\n0.500001 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.318073 0.470725 0.636148 O\n0.681928 0.529276 0.363853 O\n0.181927 0.970725 0.363853 O\n0.818074 0.029276 0.636148 O\n0.256485 0.250000 0.012969 O\n0.243515 0.749999 0.987031 O\n0.756484 0.250000 0.012969 O\n0.743516 0.749999 0.987032 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"Ni",
"O"
],
"chemical_system": "La-Ni-O",
"density": 7.099506211833224,
"density_atomic": 0.07472612498269121,
"volume": 187.35080941562023,
"volume_molar": 8.058949612862845,
"formula_full": "La4 Ni2 O8",
"formula_reduced": "La2NiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9438952,
"spacegroup": 64
},
{
"id": "jvasp-885",
"created_at": "2022-09-04T14:37:54.558368Z",
"updated_at": "2022-09-04T14:37:54.558388Z",
"structure_string": "Ga4\n1.0\n4.487934 0.032539 0.000000\n-2.143875 3.942893 0.000000\n0.000000 0.000000 4.559219\nGa\n4\ndirect\n0.156106 0.843894 0.913888 Ga\n0.343895 0.656105 0.413888 Ga\n0.843894 0.156105 0.086112 Ga\n0.656105 0.343895 0.586112 Ga\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 5.7177415851240765,
"density_atomic": 0.04938548924576113,
"volume": 80.99545152007032,
"volume_molar": 12.194150249340485,
"formula_full": "Ga4",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy_above_hull": 2.3250000000807347e-06,
"spacegroup": 64
},
{
"id": "jvasp-25379",
"created_at": "2022-09-04T14:37:55.138122Z",
"updated_at": "2022-09-04T14:37:55.138155Z",
"structure_string": "H4\n1.0\n0.000000 0.000000 4.130707\n4.880959 -0.000441 0.000000\n2.440243 2.391065 0.000000\nH\n4\ndirect\n0.568710 0.948593 0.102876 H\n0.931293 0.448594 0.102877 H\n0.068708 0.551406 0.897125 H\n0.431291 0.051404 0.897126 H\n",
"nsites": 4,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.13886180063427944,
"density_atomic": 0.08296578267512715,
"volume": 48.212647082026336,
"volume_molar": 7.258583678504146,
"formula_full": "H4",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 0.00163,
"spacegroup": 64
},
{
"id": "jvasp-35248",
"created_at": "2022-09-04T14:37:55.792679Z",
"updated_at": "2022-09-04T14:37:55.792705Z",
"structure_string": "Ba4 Cu2 H12\n1.0\n7.375518 2.905616 -0.000000\n-7.375518 2.905616 -0.000000\n0.000000 -0.000000 5.810822\nBa Cu H\n4 2 12\ndirect\n0.141485 0.858517 0.500000 Ba\n0.641485 0.358517 0.000000 Ba\n0.858517 0.141485 0.500000 Ba\n0.358517 0.641485 0.000000 Ba\n0.500001 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.710124 0.710124 0.290028 H\n0.289877 0.289877 0.709972 H\n0.108749 0.891253 0.000000 H\n0.608749 0.391253 0.500000 H\n0.891253 0.108749 0.000000 H\n0.999803 0.499803 0.250000 H\n0.500198 0.000198 0.750000 H\n0.210123 0.210123 0.209972 H\n0.499803 0.999803 0.250000 H\n0.000198 0.500198 0.750000 H\n0.391253 0.608749 0.500000 H\n0.789878 0.789878 0.790028 H\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"H"
],
"chemical_system": "Ba-Cu-H",
"density": 4.590412900406081,
"density_atomic": 0.07227268537871936,
"volume": 249.0567481431939,
"volume_molar": 8.332526636367678,
"formula_full": "Ba4 Cu2 H12",
"formula_reduced": "Ba2CuH6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.867286932222222,
"spacegroup": 64
},
{
"id": "jvasp-51034",
"created_at": "2022-09-04T14:37:56.787549Z",
"updated_at": "2022-09-04T14:37:56.787572Z",
"structure_string": "U2 H4 O8\n1.0\n1.742361 5.133039 0.000000\n-1.742361 5.133039 0.000000\n0.000000 0.000000 8.979310\nU H O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.232652 0.232652 0.622114 H\n0.767348 0.767348 0.377886 H\n0.267348 0.267348 0.122114 H\n0.732652 0.732652 0.877886 H\n0.330662 0.330662 0.611766 O\n0.669338 0.669338 0.388234 O\n0.169338 0.169338 0.111766 O\n0.830662 0.830662 0.888234 O\n0.071119 0.071119 0.614913 O\n0.928881 0.928881 0.385087 O\n0.428881 0.428881 0.114913 O\n0.571119 0.571119 0.885087 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"U",
"H",
"O"
],
"chemical_system": "H-O-U",
"density": 6.286769888851554,
"density_atomic": 0.08716504710620782,
"volume": 160.61483891520703,
"volume_molar": 6.908894057800731,
"formula_full": "U2 H4 O8",
"formula_reduced": "U(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0788542857142858,
"spacegroup": 64
},
{
"id": "jvasp-48196",
"created_at": "2022-09-04T14:37:56.765070Z",
"updated_at": "2022-09-04T14:37:56.765082Z",
"structure_string": "Li4 Co4 Si2 O12\n1.0\n0.000000 4.850741 0.000000\n-4.181891 2.425371 0.000000\n0.000000 0.000000 9.660243\nLi Co Si O\n4 4 2 12\ndirect\n0.143747 0.500000 0.750000 Li\n0.356253 0.500000 0.250000 Li\n0.643747 0.500000 0.750000 Li\n0.856253 0.500000 0.250000 Li\n0.664533 0.670934 0.000000 Co\n0.164533 0.670934 0.500000 Co\n0.335467 0.329066 0.000000 Co\n0.835467 0.329066 0.500000 Co\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.187901 0.000000 0.598483 O\n0.312099 0.000000 0.098483 O\n0.182642 0.321075 0.397288 O\n0.996284 0.321075 0.897288 O\n0.496284 0.321075 0.602712 O\n0.503716 0.678925 0.397288 O\n0.003716 0.678925 0.102712 O\n0.817358 0.678925 0.602712 O\n0.317358 0.678925 0.897288 O\n0.687901 0.000000 0.901517 O\n0.682642 0.321075 0.102712 O\n0.812099 0.000000 0.401517 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 4.335729803610938,
"density_atomic": 0.11226744378886862,
"volume": 195.96063878833334,
"volume_molar": 5.364102500922087,
"formula_full": "Li4 Co4 Si2 O12",
"formula_reduced": "Li2Co2SiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6346174,
"spacegroup": 64
}
]
}