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=3581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3579",
"results": [
{
"id": "jvasp-1483",
"created_at": "2022-09-04T14:36:42.023301Z",
"updated_at": "2022-09-04T14:36:42.023318Z",
"structure_string": "K1 Er1 S2\n1.0\n3.858869 0.004229 6.590354\n1.790729 3.418213 6.590354\n0.006980 0.004229 7.636988\nK Er S\n1 1 2\ndirect\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Er\n0.734227 0.734227 0.734226 S\n0.265773 0.265773 0.265773 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Er",
"S"
],
"chemical_system": "Er-K-S",
"density": 4.47086141114671,
"density_atomic": 0.03981577951450162,
"volume": 100.4626821017815,
"volume_molar": 15.12501031860152,
"formula_full": "K1 Er1 S2",
"formula_reduced": "KErS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5400195,
"spacegroup": 166
},
{
"id": "jvasp-101717",
"created_at": "2022-09-04T14:36:42.024151Z",
"updated_at": "2022-09-04T14:36:42.024173Z",
"structure_string": "Hf1 Zr1 Fe4\n1.0\n4.261762 -0.000000 2.460529\n-2.841174 4.018027 0.000000\n-0.000000 -0.000000 4.921058\nHf Zr Fe\n1 1 4\ndirect\n0.500001 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Zr\n0.750504 0.375252 0.874245 Fe\n0.249497 0.375252 0.375252 Fe\n0.249498 0.874245 0.375252 Fe\n0.750504 0.375252 0.375252 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"Fe"
],
"chemical_system": "Fe-Hf-Zr",
"density": 9.716688681944118,
"density_atomic": 0.0712017590771593,
"volume": 84.2675809947051,
"volume_molar": 8.457853904246914,
"formula_full": "Hf1 Zr1 Fe4",
"formula_reduced": "HfZrFe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.2924015833333335,
"spacegroup": 216
},
{
"id": "jvasp-15161",
"created_at": "2022-09-04T14:36:42.043317Z",
"updated_at": "2022-09-04T14:36:42.043338Z",
"structure_string": "Tb3 Al3 Pd3\n1.0\n3.583318 -6.206488 0.000000\n3.583318 6.206488 0.000000\n-0.000000 0.000000 4.063445\nTb Al Pd\n3 3 3\ndirect\n0.000000 0.416346 0.500001 Tb\n0.416346 0.000000 0.500001 Tb\n0.583655 0.583655 0.500001 Tb\n0.762021 0.000000 0.000000 Al\n0.237979 0.237979 0.000000 Al\n0.000000 0.762021 0.000000 Al\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500001 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Tb",
"density": 8.057187377160203,
"density_atomic": 0.04979512842362796,
"volume": 180.74057211848597,
"volume_molar": 12.093835181560598,
"formula_full": "Tb3 Al3 Pd3",
"formula_reduced": "TbAlPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1154056333333335,
"spacegroup": 189
},
{
"id": "jvasp-10813",
"created_at": "2022-09-04T14:36:42.054025Z",
"updated_at": "2022-09-04T14:36:42.054035Z",
"structure_string": "Ca2 V4 S8\n1.0\n6.211219 -0.000000 -3.260969\n-1.712050 5.970606 -3.260969\n0.066538 0.088299 7.672524\nCa V S\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Ca\n0.625000 0.375000 0.250000 Ca\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.786118 0.797514 0.572235 S\n0.725280 0.213883 0.927765 S\n0.202487 0.213883 0.927765 S\n0.213883 0.202487 0.427765 S\n0.213883 0.725280 0.427765 S\n0.274721 0.786118 0.072235 S\n0.786118 0.274721 0.572234 S\n0.797513 0.786118 0.072235 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"V",
"S"
],
"chemical_system": "Ca-S-V",
"density": 3.114864218083296,
"density_atomic": 0.04859246891709805,
"volume": 288.110489382314,
"volume_molar": 12.393156582091288,
"formula_full": "Ca2 V4 S8",
"formula_reduced": "Ca(VS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.414294117142857,
"spacegroup": 141
},
{
"id": "jvasp-100867",
"created_at": "2022-09-04T14:36:42.056555Z",
"updated_at": "2022-09-04T14:36:42.056580Z",
"structure_string": "Li2 Cu2 S2\n1.0\n3.927073 -0.000000 0.000000\n0.000000 3.934586 0.000000\n0.000000 -0.000000 5.577800\nLi Cu S\n2 2 2\ndirect\n-0.000000 0.749953 -0.080887 Li\n0.500000 0.250048 0.419113 Li\n-0.000000 0.750114 0.419323 Cu\n0.500000 0.249887 0.919323 Cu\n-0.000000 0.250032 0.669343 S\n0.500000 0.749969 0.169343 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 3.9517755781422395,
"density_atomic": 0.06961780011621542,
"volume": 86.18485487883832,
"volume_molar": 8.650288791008952,
"formula_full": "Li2 Cu2 S2",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3680634833333334,
"spacegroup": 216
},
{
"id": "jvasp-105498",
"created_at": "2022-09-04T14:36:42.057914Z",
"updated_at": "2022-09-04T14:36:42.057937Z",
"structure_string": "Ga1 Ni2 Pt1\n1.0\n3.711309 -0.000000 0.000000\n0.000000 3.711309 0.000000\n-0.000000 -0.000000 3.716974\nGa Ni Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.499999 Ni\n-0.000000 0.500000 0.499999 Ni\n0.500000 0.500000 -0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"Pt"
],
"chemical_system": "Ga-Ni-Pt",
"density": 12.396211637290284,
"density_atomic": 0.0781297147115523,
"volume": 51.19691035309204,
"volume_molar": 7.70787501558554,
"formula_full": "Ga1 Ni2 Pt1",
"formula_reduced": "GaNi2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.97089213125,
"spacegroup": 123
},
{
"id": "jvasp-15328",
"created_at": "2022-09-04T14:36:42.065657Z",
"updated_at": "2022-09-04T14:36:42.065679Z",
"structure_string": "Dy2 Si4 Ni2\n1.0\n3.984158 -0.000000 -0.000000\n-0.000000 3.890208 -0.940047\n0.000000 -0.009933 8.478372\nDy Si Ni\n2 4 2\ndirect\n0.250000 0.894576 0.789150 Dy\n0.750000 0.105425 0.210850 Dy\n0.250000 0.250124 0.500246 Si\n0.750000 0.749878 0.499754 Si\n0.750000 0.459780 0.919558 Si\n0.250000 0.540221 0.080441 Si\n0.750000 0.322294 0.644587 Ni\n0.250000 0.677707 0.355412 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Ni"
],
"chemical_system": "Dy-Ni-Si",
"density": 7.011822850845948,
"density_atomic": 0.0608963287380374,
"volume": 131.37080946889654,
"volume_molar": 9.889168829710446,
"formula_full": "Dy2 Si4 Ni2",
"formula_reduced": "DySi2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.975614025,
"spacegroup": 63
},
{
"id": "jvasp-12952",
"created_at": "2022-09-04T14:36:42.066793Z",
"updated_at": "2022-09-04T14:36:42.066820Z",
"structure_string": "Na6 P2 S8\n1.0\n6.922635 0.000000 0.000000\n0.000000 6.922635 -0.000000\n0.000000 -0.000000 7.075256\nNa P S\n6 2 8\ndirect\n0.500000 0.000000 0.422046 Na\n0.000000 0.500000 0.577955 Na\n0.000000 0.500000 0.077955 Na\n0.500000 0.000000 0.922046 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.000000 P\n0.653265 0.307866 0.167336 S\n0.307866 0.346734 0.832664 S\n0.692134 0.653265 0.832664 S\n0.846734 0.807865 0.332664 S\n0.153266 0.192134 0.332664 S\n0.346734 0.692134 0.167336 S\n0.807865 0.153266 0.667336 S\n0.192134 0.846734 0.667336 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"P",
"S"
],
"chemical_system": "Na-P-S",
"density": 2.2351956810137117,
"density_atomic": 0.047188367908628126,
"volume": 339.0666113094047,
"volume_molar": 12.76191787700902,
"formula_full": "Na6 P2 S8",
"formula_reduced": "Na3PS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.1048078125,
"spacegroup": 114
},
{
"id": "jvasp-12469",
"created_at": "2022-09-04T14:36:42.070286Z",
"updated_at": "2022-09-04T14:36:42.070315Z",
"structure_string": "K4 Te2 Br12\n1.0\n0.000000 7.390115 -0.028162\n7.725623 0.000000 0.000000\n0.000000 -7.306031 -10.522018\nK Te Br\n4 2 12\ndirect\n0.274765 0.074824 0.752038 K\n0.725235 0.574824 0.747962 K\n0.725235 0.925176 0.247962 K\n0.274765 0.425176 0.252037 K\n0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.767541 0.202520 0.463773 Br\n0.232458 0.702520 0.036227 Br\n0.232458 0.797479 0.536227 Br\n0.767542 0.297479 0.963773 Br\n0.654849 0.698689 0.456874 Br\n0.654849 0.801310 0.956874 Br\n0.827675 0.993559 0.746131 Br\n0.345150 0.301310 0.543126 Br\n0.172325 0.493559 0.753869 Br\n0.827675 0.506441 0.246131 Br\n0.345150 0.198689 0.043126 Br\n0.172325 0.006441 0.253868 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Te",
"Br"
],
"chemical_system": "Br-K-Te",
"density": 3.7781406107596385,
"density_atomic": 0.02988416448547624,
"volume": 602.3256902078703,
"volume_molar": 20.151611609977493,
"formula_full": "K4 Te2 Br12",
"formula_reduced": "K2TeBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-9710",
"created_at": "2022-09-04T14:36:42.106510Z",
"updated_at": "2022-09-04T14:36:42.106528Z",
"structure_string": "Na4 U1 O5\n1.0\n4.262339 0.000000 1.850967\n2.131168 5.320966 0.925484\n0.011702 -0.000001 5.806113\nNa U O\n4 1 5\ndirect\n0.593977 0.600022 0.212023 Na\n0.406023 0.399979 0.787976 Na\n0.194000 0.212023 0.399978 Na\n0.806000 0.787977 0.600021 Na\n0.000000 0.000000 0.000000 U\n0.740729 0.178909 0.339633 O\n0.080362 0.660368 0.178908 O\n0.919638 0.339633 0.821091 O\n0.259271 0.821092 0.660366 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"U",
"O"
],
"chemical_system": "Na-O-U",
"density": 5.174559350272043,
"density_atomic": 0.07600747775664377,
"volume": 131.56600238752043,
"volume_molar": 7.923089856081441,
"formula_full": "Na4 U1 O5",
"formula_reduced": "Na4UO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.56517995,
"spacegroup": 87
},
{
"id": "jvasp-103447",
"created_at": "2022-09-04T14:36:42.108620Z",
"updated_at": "2022-09-04T14:36:42.108637Z",
"structure_string": "Mo1 W1 C2\n1.0\n2.842946 0.000000 0.000000\n0.000000 2.926829 0.000000\n0.000000 0.000000 5.068679\nMo W C\n1 1 2\ndirect\n0.500001 0.500000 0.166071 Mo\n0.500001 0.000000 0.667152 W\n0.000000 0.000000 0.999022 C\n0.000000 0.500000 0.501056 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mo",
"W",
"C"
],
"chemical_system": "C-Mo-W",
"density": 11.961292757216949,
"density_atomic": 0.09484168101980031,
"volume": 42.17554936805592,
"volume_molar": 6.349677373119045,
"formula_full": "Mo1 W1 C2",
"formula_reduced": "MoWC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.432401474999999,
"spacegroup": 25
},
{
"id": "jvasp-103793",
"created_at": "2022-09-04T14:36:42.116052Z",
"updated_at": "2022-09-04T14:36:42.116075Z",
"structure_string": "H18 C16 N2\n1.0\n5.260260 -0.023842 -1.056874\n-1.461076 6.735197 -1.960450\n-0.355180 -0.035289 8.934371\nH C N\n18 16 2\ndirect\n0.582699 0.359713 0.261419 H\n0.727836 0.069615 0.118191 H\n0.314316 0.538746 0.644874 H\n0.314356 0.538729 0.144871 H\n0.452554 0.244772 0.001855 H\n0.452565 0.244803 0.501881 H\n0.820832 0.799957 0.263557 H\n0.820738 0.799961 0.763506 H\n0.374013 0.943779 0.789782 H\n0.727791 0.069638 0.618197 H\n0.641204 0.607781 0.005185 H\n0.641149 0.607745 0.505147 H\n0.180560 0.937683 0.597817 H\n0.180646 0.937685 0.097850 H\n0.071342 0.668132 0.279110 H\n0.071248 0.668137 0.779097 H\n0.582705 0.359752 0.761447 H\n0.374077 0.943807 0.289829 H\n0.856659 0.171488 0.734735 C\n0.856686 0.171473 0.234731 C\n0.774984 0.335103 0.813588 C\n0.774982 0.335079 0.313572 C\n0.973274 0.754315 0.708193 C\n0.973351 0.754320 0.208225 C\n0.100182 0.132623 0.802008 C\n0.100216 0.132628 0.302019 C\n0.260899 0.269659 0.448577 C\n0.934366 0.469811 0.464703 C\n0.260890 0.269642 0.948563 C\n0.184377 0.437944 0.028777 C\n0.184356 0.437952 0.528777 C\n0.174317 0.943905 0.721480 C\n0.174382 0.943917 0.221511 C\n0.934392 0.469822 0.964718 C\n0.839898 0.626248 0.042483 N\n0.839846 0.626229 0.542452 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.2633331729377975,
"density_atomic": 0.11492039487767408,
"volume": 313.2603228375595,
"volume_molar": 5.24027155180785,
"formula_full": "H18 C16 N2",
"formula_reduced": "H9C8N",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.345961847222222,
"spacegroup": 1
}
]
}