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=69",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=67",
"results": [
{
"id": "jvasp-37261",
"created_at": "2022-09-04T14:38:02.038823Z",
"updated_at": "2022-09-04T14:38:02.038851Z",
"structure_string": "Sm1 Re3\n1.0\n0.000000 3.267897 3.267897\n3.267897 -0.000000 3.267897\n3.267897 3.267897 0.000000\nSm Re\n1 3\ndirect\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Re\n0.500001 0.500001 0.500001 Re\n0.250000 0.250000 0.250000 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Re"
],
"chemical_system": "Re-Sm",
"density": 16.867418464294634,
"density_atomic": 0.05730927530351786,
"volume": 69.79672974078709,
"volume_molar": 10.508143277167454,
"formula_full": "Sm1 Re3",
"formula_reduced": "SmRe3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.680133218749999,
"spacegroup": 225
},
{
"id": "jvasp-65714",
"created_at": "2022-09-04T14:35:50.720550Z",
"updated_at": "2022-09-04T14:35:50.720572Z",
"structure_string": "Ba1 Hf1 W2\n1.0\n-2.072917 2.072917 4.984858\n2.072917 -2.072917 4.984858\n2.072917 2.072917 -4.984858\nBa Hf W\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ba\n0.750001 0.250000 0.500001 Hf\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"W"
],
"chemical_system": "Ba-Hf-W",
"density": 13.246742706730247,
"density_atomic": 0.046685647029321875,
"volume": 85.67943799702975,
"volume_molar": 12.899340896395142,
"formula_full": "Ba1 Hf1 W2",
"formula_reduced": "BaHfW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.6795847425,
"spacegroup": 139
},
{
"id": "jvasp-103696",
"created_at": "2022-09-04T14:36:53.417079Z",
"updated_at": "2022-09-04T14:36:53.417108Z",
"structure_string": "Mo2 C1 N1\n1.0\n2.824769 0.000000 0.000000\n0.000000 2.905658 0.000000\n-0.000000 0.000000 5.022527\nMo C N\n2 1 1\ndirect\n0.500000 0.500000 0.166344 Mo\n0.500000 0.000000 0.667072 Mo\n0.000000 0.000000 0.998474 C\n-0.000000 0.500000 0.501412 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mo",
"C",
"N"
],
"chemical_system": "C-Mo-N",
"density": 8.777107775498868,
"density_atomic": 0.09703094852533516,
"volume": 41.2239606104189,
"volume_molar": 6.206412337015953,
"formula_full": "Mo2 C1 N1",
"formula_reduced": "Mo2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.6794012625,
"spacegroup": 25
},
{
"id": "jvasp-40292",
"created_at": "2022-09-04T14:37:49.519923Z",
"updated_at": "2022-09-04T14:37:49.519942Z",
"structure_string": "Pu6 O4\n1.0\n-6.152107 -0.000000 -0.000000\n3.076054 -5.327881 0.000000\n-3.076054 1.775961 5.535663\nPu O\n6 4\ndirect\n0.250001 0.082572 0.249999 Pu\n0.917429 0.417428 0.249999 Pu\n0.582574 0.750001 0.249999 Pu\n0.417427 0.250000 0.749999 Pu\n0.082573 0.582572 0.749999 Pu\n0.750001 0.917426 0.749999 Pu\n0.662862 0.337138 0.011414 O\n0.837137 0.162862 0.488584 O\n0.162862 0.837139 0.511415 O\n0.337138 0.662862 0.988585 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 13.983752535599706,
"density_atomic": 0.05511273456940656,
"volume": 181.4462678749217,
"volume_molar": 10.926949655194443,
"formula_full": "Pu6 O4",
"formula_reduced": "Pu3O2",
"formula_anonymous": "A2B3",
"energy_above_hull": 5.6786194,
"spacegroup": 167
},
{
"id": "jvasp-103820",
"created_at": "2022-09-04T14:36:55.315389Z",
"updated_at": "2022-09-04T14:36:55.315405Z",
"structure_string": "H6 C12 S2 O1\n1.0\n3.975534 0.020716 0.611035\n1.780365 5.793235 0.814270\n0.104842 0.028144 10.203591\nH C S O\n6 12 2 1\ndirect\n0.717367 0.995296 0.436995 H\n0.763140 0.625835 0.840737 H\n0.885263 0.669886 0.580755 H\n0.665056 0.779029 0.214621 H\n0.331626 0.737872 0.436506 H\n0.044010 0.037021 0.212616 H\n0.891922 0.190512 0.262355 C\n0.708379 0.167602 0.389053 C\n0.094251 0.451287 0.071442 C\n0.889604 0.411603 0.199545 C\n0.505809 0.362952 0.455154 C\n0.676863 0.607669 0.264168 C\n0.270547 0.261913 0.979838 C\n0.212862 0.313744 0.840318 C\n0.330700 0.356085 0.591746 C\n0.975354 0.506199 0.782555 C\n0.041466 0.529490 0.643362 C\n0.487036 0.583742 0.387754 C\n0.196452 0.693467 0.025117 S\n0.509540 0.154920 0.718566 S\n0.487910 0.083276 0.023204 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6329619105860222,
"density_atomic": 0.08966894406748926,
"volume": 234.1947952927199,
"volume_molar": 6.715971535772117,
"formula_full": "H6 C12 S2 O1",
"formula_reduced": "H6C12S2O",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 5.677618261904762,
"spacegroup": 1
},
{
"id": "jvasp-103822",
"created_at": "2022-09-04T14:36:51.910646Z",
"updated_at": "2022-09-04T14:36:51.910660Z",
"structure_string": "H6 C12 S2 O1\n1.0\n3.713485 0.020907 0.633659\n1.662439 6.003296 0.417887\n-0.094408 -0.084663 10.377345\nH C S O\n6 12 2 1\ndirect\n0.905085 0.855465 0.802186 H\n0.632589 0.737841 0.156351 H\n0.496091 0.799645 0.407333 H\n0.123427 0.122139 0.596054 H\n0.244417 0.137774 0.821809 H\n0.773816 0.841897 0.577033 H\n0.874941 0.687212 0.630654 C\n0.951642 0.695786 0.755901 C\n0.232165 0.353372 0.062940 C\n0.946104 0.480695 0.568769 C\n0.091926 0.498506 0.826099 C\n0.075520 0.283807 0.640768 C\n0.186128 0.530106 0.955911 C\n0.042569 0.422331 0.190479 C\n0.909813 0.481110 0.431268 C\n0.696930 0.653471 0.361399 C\n0.769097 0.620466 0.226511 C\n0.141955 0.291770 0.768255 C\n0.573000 0.121624 0.032045 S\n0.192006 0.271549 0.328167 S\n0.250811 0.706728 0.979834 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6528021063977416,
"density_atomic": 0.09075840573649456,
"volume": 231.38352673327933,
"volume_molar": 6.635353178728719,
"formula_full": "H6 C12 S2 O1",
"formula_reduced": "H6C12S2O",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 5.677163976190476,
"spacegroup": 1
},
{
"id": "jvasp-55128",
"created_at": "2022-09-04T14:38:20.377550Z",
"updated_at": "2022-09-04T14:38:20.377570Z",
"structure_string": "Na2 C8 N6\n1.0\n-3.646891 -0.098110 0.012312\n1.389058 7.572363 0.032950\n-0.225934 -2.460914 -8.867219\nNa C N\n2 8 6\ndirect\n0.169148 0.843723 0.845070 Na\n0.830850 0.156277 0.154930 Na\n0.250053 0.818911 0.202487 C\n0.298000 0.706143 0.293264 C\n0.379673 0.532612 0.226672 C\n0.701998 0.293858 0.706737 C\n0.620325 0.467389 0.773328 C\n0.749945 0.181090 0.797513 C\n0.240059 0.760728 0.449543 C\n0.759939 0.239272 0.550458 C\n0.189877 0.803415 0.579101 N\n0.810121 0.196585 0.420899 N\n0.444872 0.386294 0.172389 N\n0.210944 0.913074 0.125509 N\n0.789054 0.086926 0.874491 N\n0.555127 0.613706 0.827611 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"C",
"N"
],
"chemical_system": "C-N-Na",
"density": 1.5428737240870516,
"density_atomic": 0.0657491967504549,
"volume": 243.34898053167927,
"volume_molar": 9.159261341026701,
"formula_full": "Na2 C8 N6",
"formula_reduced": "NaC4N3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.67349734375,
"spacegroup": 2
},
{
"id": "jvasp-119636",
"created_at": "2022-09-04T14:38:51.758653Z",
"updated_at": "2022-09-04T14:38:51.758673Z",
"structure_string": "Rb2 Mn1 Fe1 C6 N6\n1.0\n6.112812 -0.000000 3.529233\n2.037604 5.763214 3.529233\n-0.000000 -0.000000 7.058467\nRb Mn Fe C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.811517 0.188482 0.188482 C\n0.188482 0.811517 0.811518 C\n0.188482 0.811517 0.188483 C\n0.811517 0.188482 0.811517 C\n0.188483 0.188482 0.811518 C\n0.811517 0.811517 0.188482 C\n0.693532 0.306468 0.306468 N\n0.306468 0.693532 0.693532 N\n0.306468 0.693532 0.306468 N\n0.693532 0.306468 0.693532 N\n0.306468 0.306468 0.693532 N\n0.693532 0.693532 0.306468 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Mn",
"Fe",
"C",
"N"
],
"chemical_system": "C-Fe-Mn-N-Rb",
"density": 2.923691469401299,
"density_atomic": 0.064343370773936,
"volume": 248.6658657690534,
"volume_molar": 9.359380286678157,
"formula_full": "Rb2 Mn1 Fe1 C6 N6",
"formula_reduced": "Rb2MnFe(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.673349515086207,
"spacegroup": 225
},
{
"id": "jvasp-101992",
"created_at": "2022-09-04T14:36:50.385757Z",
"updated_at": "2022-09-04T14:36:50.385784Z",
"structure_string": "H18 C22\n1.0\n5.264865 0.023697 1.038434\n2.128992 5.239798 0.681064\n0.167677 0.059453 11.964686\nH C\n18 22\ndirect\n0.590070 0.853537 0.590729 H\n0.176241 0.054255 0.266168 H\n0.823760 0.945745 0.733831 H\n0.221579 0.871924 0.049655 H\n0.778422 0.128077 0.950345 H\n0.742897 0.611813 0.844474 H\n0.838896 0.226543 0.123023 H\n0.161105 0.773457 0.876977 H\n0.802644 0.712728 0.018431 H\n0.257104 0.388187 0.155526 H\n0.757087 0.890737 0.235554 H\n0.242914 0.109263 0.764446 H\n0.789271 0.407547 0.341211 H\n0.210730 0.592453 0.658789 H\n0.887844 0.945576 0.418384 H\n0.112157 0.054425 0.581616 H\n0.409931 0.146463 0.409271 H\n0.197357 0.287273 0.981569 H\n0.328761 0.319615 0.903203 C\n0.671240 0.680386 0.096796 C\n0.308338 0.589418 0.845110 C\n0.691663 0.410583 0.154889 C\n0.348874 0.769311 0.114422 C\n0.369763 0.500005 0.172125 C\n0.651127 0.230690 0.885578 C\n0.645894 0.779339 0.217144 C\n0.630238 0.499995 0.827874 C\n0.354107 0.220661 0.782856 C\n0.170146 0.553008 0.400543 C\n0.333295 0.490140 0.725089 C\n0.342527 0.601712 0.293915 C\n0.657474 0.398289 0.706085 C\n0.937448 0.749377 0.453672 C\n0.062552 0.250623 0.546328 C\n0.230632 0.302788 0.449175 C\n0.769369 0.697212 0.550825 C\n0.676848 0.130030 0.765539 C\n0.829855 0.446993 0.599456 C\n0.666706 0.509860 0.274911 C\n0.323153 0.869970 0.234461 C\n",
"nsites": 40,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4275164956047368,
"density_atomic": 0.12177571247997343,
"volume": 328.47272403828623,
"volume_molar": 4.945272449947989,
"formula_full": "H18 C22",
"formula_reduced": "H9C11",
"formula_anonymous": "A9B11",
"energy_above_hull": 5.672824,
"spacegroup": 2
},
{
"id": "jvasp-38991",
"created_at": "2022-09-04T14:37:54.137000Z",
"updated_at": "2022-09-04T14:37:54.137026Z",
"structure_string": "Ta1 Nb1 Tc2\n1.0\n0.000000 3.189619 3.189619\n3.189619 -0.000000 3.189619\n3.189619 3.189619 0.000000\nTa Nb Tc\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ta\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Tc"
],
"chemical_system": "Nb-Ta-Tc",
"density": 12.021698769976327,
"density_atomic": 0.061633036756661465,
"volume": 64.90025821367092,
"volume_molar": 9.770962258076812,
"formula_full": "Ta1 Nb1 Tc2",
"formula_reduced": "TaNbTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.6720579,
"spacegroup": 225
},
{
"id": "jvasp-117912",
"created_at": "2022-09-04T14:38:53.894217Z",
"updated_at": "2022-09-04T14:38:53.894255Z",
"structure_string": "Ru1 C2 N1\n1.0\n2.578082 -0.000000 0.000000\n-0.000000 2.578082 0.000000\n-0.000000 0.000000 4.916711\nRu C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Ru\n0.000000 0.499999 0.184912 C\n0.499999 0.000000 -0.184912 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ru",
"C",
"N"
],
"chemical_system": "C-N-Ru",
"density": 7.068091456655761,
"density_atomic": 0.12240294201356884,
"volume": 32.678953088861086,
"volume_molar": 4.919931384763957,
"formula_full": "Ru1 C2 N1",
"formula_reduced": "RuC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.670658437499999,
"spacegroup": 115
},
{
"id": "jvasp-75887",
"created_at": "2022-09-04T14:35:51.359763Z",
"updated_at": "2022-09-04T14:35:51.359781Z",
"structure_string": "As1 Os2 W1\n1.0\n-0.000000 3.133307 3.133307\n3.133307 0.000000 3.133307\n3.133307 3.133307 0.000000\nAs Os W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Os\n0.750001 0.750001 0.750001 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"Os",
"W"
],
"chemical_system": "As-Os-W",
"density": 17.252883780352466,
"density_atomic": 0.0650161350474445,
"volume": 61.52318954488857,
"volume_molar": 9.262532686086983,
"formula_full": "As1 Os2 W1",
"formula_reduced": "AsOs2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.6699054375,
"spacegroup": 216
}
]
}