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=4012",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4010",
"results": [
{
"id": "jvasp-15066",
"created_at": "2022-09-04T14:36:45.179624Z",
"updated_at": "2022-09-04T14:36:45.179651Z",
"structure_string": "Sc1 P1\n1.0\n3.254276 0.000000 1.878857\n1.084758 3.068161 1.878857\n-0.000000 -0.000000 3.757714\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.3605037266175715,
"density_atomic": 0.0533057114750399,
"volume": 37.519431682972446,
"volume_molar": 11.297364941503188,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy_above_hull": 1.0557553750000004,
"spacegroup": 225
},
{
"id": "jvasp-100484",
"created_at": "2022-09-04T14:36:45.190383Z",
"updated_at": "2022-09-04T14:36:45.190402Z",
"structure_string": "Co1 Pd3\n1.0\n3.858533 -0.000000 0.000000\n0.000000 3.858533 -0.000000\n0.000000 0.000000 3.858533\nCo Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Pd"
],
"chemical_system": "Co-Pd",
"density": 10.931912600795107,
"density_atomic": 0.06962950931018892,
"volume": 57.446907778433506,
"volume_molar": 8.648834121711637,
"formula_full": "Co1 Pd3",
"formula_reduced": "CoPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0812395,
"spacegroup": 221
},
{
"id": "jvasp-103588",
"created_at": "2022-09-04T14:36:45.299989Z",
"updated_at": "2022-09-04T14:36:45.300009Z",
"structure_string": "Ba2 Yb6\n1.0\n7.871505 -0.000000 0.000000\n-3.935752 6.816923 0.000000\n-0.000000 -0.000000 6.468826\nYb Ba\n6 2\ndirect\n0.164133 0.328265 0.250000 Yb\n0.671734 0.835867 0.250000 Yb\n0.164133 0.835867 0.250000 Yb\n0.835867 0.671734 0.750001 Yb\n0.328265 0.164133 0.750001 Yb\n0.835867 0.164133 0.750001 Yb\n0.333333 0.666666 0.750001 Ba\n0.666666 0.333333 0.250000 Ba\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ba"
],
"chemical_system": "Ba-Yb",
"density": 6.280686661913316,
"density_atomic": 0.023047209697396685,
"volume": 347.11360312322955,
"volume_molar": 26.129587221485803,
"formula_full": "Ba2 Yb6",
"formula_reduced": "BaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-32150",
"created_at": "2022-09-04T14:36:52.642516Z",
"updated_at": "2022-09-04T14:36:52.642533Z",
"structure_string": "H4 C1\n1.0\n-1.850597 -3.205325 -1.308570\n-0.000000 -0.000000 3.925704\n-1.850592 3.205325 -1.308567\nH C\n4 1\ndirect\n0.279627 0.279627 0.279628 H\n-0.000001 -0.000001 0.720373 H\n-0.000000 0.720372 -0.000000 H\n0.720373 0.000000 0.000001 H\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 0.5719909776620922,
"density_atomic": 0.1073591638103358,
"volume": 46.57264291693966,
"volume_molar": 5.609340224220552,
"formula_full": "H4 C1",
"formula_reduced": "H4C",
"formula_anonymous": "AB4",
"energy_above_hull": 3.4334280000000006,
"spacegroup": 217
},
{
"id": "jvasp-107204",
"created_at": "2022-09-04T14:37:01.873294Z",
"updated_at": "2022-09-04T14:37:01.873317Z",
"structure_string": "Na1 Ga3\n1.0\n4.298478 0.000000 0.000000\n0.000000 4.298478 0.000000\n-0.000000 0.000000 4.298478\nNa Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ga"
],
"chemical_system": "Ga-Na",
"density": 4.85389151212413,
"density_atomic": 0.05036349567244278,
"volume": 79.42260453911793,
"volume_molar": 11.957352601509577,
"formula_full": "Na1 Ga3",
"formula_reduced": "NaGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0415563636363636,
"spacegroup": 221
},
{
"id": "jvasp-12085",
"created_at": "2022-09-04T14:36:45.239610Z",
"updated_at": "2022-09-04T14:36:45.239629Z",
"structure_string": "Th4 I8\n1.0\n3.962336 0.000000 0.000000\n-1.981168 3.431484 0.000000\n-0.000000 -0.000000 32.193689\nTh I\n4 8\ndirect\n0.666667 0.333333 0.750000 Th\n0.333333 0.666666 0.250000 Th\n0.000000 0.000000 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.333333 0.666666 0.428683 I\n0.666667 0.333333 0.928683 I\n0.666667 0.333333 0.571317 I\n0.333333 0.666666 0.071317 I\n0.000000 0.000000 0.179421 I\n0.000000 0.000000 0.679421 I\n0.000000 0.000000 0.820579 I\n0.000000 0.000000 0.320579 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Th",
"I"
],
"chemical_system": "I-Th",
"density": 7.372327020643695,
"density_atomic": 0.027414303924328327,
"volume": 437.72769256237865,
"volume_molar": 21.967148159672078,
"formula_full": "Th4 I8",
"formula_reduced": "ThI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4408893833333335,
"spacegroup": 194
},
{
"id": "jvasp-105410",
"created_at": "2022-09-04T14:36:45.204287Z",
"updated_at": "2022-09-04T14:36:45.204297Z",
"structure_string": "Si1 Ge1\n1.0\n3.424749 -0.000000 1.977280\n1.141583 3.228885 1.977280\n0.000000 0.000000 3.954560\nSi Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"Ge"
],
"chemical_system": "Ge-Si",
"density": 3.8248026815910214,
"density_atomic": 0.045735191457429304,
"volume": 43.73000169599413,
"volume_molar": 13.16741128241577,
"formula_full": "Si1 Ge1",
"formula_reduced": "SiGe",
"formula_anonymous": "AB",
"energy_above_hull": 1.3140522749999994,
"spacegroup": 216
},
{
"id": "jvasp-104900",
"created_at": "2022-09-04T14:36:45.219242Z",
"updated_at": "2022-09-04T14:36:45.219258Z",
"structure_string": "Rb6 Bi4\n1.0\n6.862785 0.004474 1.316113\n-0.503659 6.844280 1.316113\n-0.059378 -0.063950 9.735205\nRb Bi\n6 4\ndirect\n0.657426 0.757575 0.514414 Rb\n0.342574 0.242425 0.485586 Rb\n0.242425 0.342574 0.985586 Rb\n0.757575 0.657425 0.014413 Rb\n0.842275 0.157725 0.750000 Rb\n0.157725 0.842274 0.250000 Rb\n0.318122 0.884491 0.843923 Bi\n0.681879 0.115509 0.156077 Bi\n0.115509 0.681878 0.656077 Bi\n0.884491 0.318121 0.343923 Bi\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"Bi"
],
"chemical_system": "Bi-Rb",
"density": 4.885223406768391,
"density_atomic": 0.021812770465701427,
"volume": 458.44703751520603,
"volume_molar": 27.608325909215715,
"formula_full": "Rb6 Bi4",
"formula_reduced": "Rb3Bi2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.1655968600000001,
"spacegroup": 15
},
{
"id": "jvasp-101987",
"created_at": "2022-09-04T14:36:45.146840Z",
"updated_at": "2022-09-04T14:36:45.146861Z",
"structure_string": "H20 C32\n1.0\n8.115988 0.000000 -1.804878\n0.000000 3.804276 0.000000\n-0.045200 0.000000 15.266099\nH C\n20 32\ndirect\n0.498688 0.939374 0.704351 H\n0.484303 0.289075 0.055043 H\n0.515697 0.710926 0.944957 H\n0.484303 0.210925 0.555043 H\n0.322910 0.130388 0.902647 H\n0.677090 0.869613 0.097353 H\n0.677090 0.630388 0.597353 H\n0.322910 0.369613 0.402647 H\n0.943603 0.895289 0.206907 H\n0.056397 0.104712 0.793093 H\n0.515697 0.789076 0.444957 H\n0.943603 0.604713 0.706907 H\n0.245103 0.790988 0.245763 H\n0.754898 0.209013 0.754237 H\n0.754898 0.290988 0.254237 H\n0.245103 0.709013 0.745763 H\n0.498688 0.560627 0.204351 H\n0.501313 0.439374 0.795648 H\n0.501313 0.060627 0.295648 H\n0.056397 0.395288 0.293093 H\n0.789153 0.730417 0.579568 C\n0.789153 0.769585 0.079568 C\n0.210847 0.230416 0.920432 C\n0.222756 0.125217 0.508418 C\n0.777244 0.874784 0.491582 C\n0.777244 0.625218 0.991582 C\n0.372668 0.392576 0.072314 C\n0.372668 0.107424 0.572314 C\n0.627333 0.892577 0.427686 C\n0.627333 0.607425 0.927686 C\n0.076769 0.992779 0.531665 C\n0.923231 0.007222 0.468334 C\n0.210847 0.269584 0.420432 C\n0.222756 0.374783 0.008418 C\n0.936496 0.783502 0.140275 C\n0.761569 0.171022 0.320162 C\n0.063504 0.283501 0.359725 C\n0.936496 0.716500 0.640275 C\n0.085119 0.654840 0.118631 C\n0.914882 0.345161 0.881369 C\n0.914882 0.154840 0.381369 C\n0.085119 0.845161 0.618631 C\n0.238432 0.671022 0.179838 C\n0.761569 0.328979 0.820162 C\n0.923231 0.492778 0.968334 C\n0.238431 0.828979 0.679838 C\n0.380201 0.542001 0.156450 C\n0.619799 0.458000 0.843550 C\n0.619799 0.042000 0.343550 C\n0.380201 0.958001 0.656450 C\n0.063504 0.216499 0.859725 C\n0.076769 0.507223 0.031665 C\n",
"nsites": 52,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4259801337822553,
"density_atomic": 0.11039461951102658,
"volume": 471.03744938226873,
"volume_molar": 5.455103506560379,
"formula_full": "H20 C32",
"formula_reduced": "H5C8",
"formula_anonymous": "A5B8",
"energy_above_hull": 5.778081538461539,
"spacegroup": 14
},
{
"id": "jvasp-107433",
"created_at": "2022-09-04T14:37:01.983569Z",
"updated_at": "2022-09-04T14:37:01.983594Z",
"structure_string": "Ba1 Pb3\n1.0\n5.128344 -0.000000 0.000000\n0.000000 5.128344 0.000000\n-0.000000 -0.000000 5.128344\nBa Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 -0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Pb"
],
"chemical_system": "Ba-Pb",
"density": 9.343673488162965,
"density_atomic": 0.02965709059271467,
"volume": 134.87499684080976,
"volume_molar": 20.305905399497792,
"formula_full": "Ba1 Pb3",
"formula_reduced": "BaPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1782804099999999,
"spacegroup": 221
},
{
"id": "jvasp-102500",
"created_at": "2022-09-04T14:36:42.263753Z",
"updated_at": "2022-09-04T14:36:42.263779Z",
"structure_string": "Ho6 Th2\n1.0\n7.094760 0.000000 0.000000\n-3.547380 6.144242 0.000000\n-0.000000 -0.000000 5.688053\nHo Th\n6 2\ndirect\n0.166679 0.333358 0.250000 Ho\n0.666641 0.833321 0.250000 Ho\n0.166679 0.833321 0.250000 Ho\n0.833321 0.666641 0.750000 Ho\n0.333359 0.166679 0.750000 Ho\n0.833321 0.166679 0.750000 Ho\n0.333333 0.666666 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Th"
],
"chemical_system": "Ho-Th",
"density": 9.73512867487186,
"density_atomic": 0.0322641576513005,
"volume": 247.95316482336668,
"volume_molar": 18.665110755672433,
"formula_full": "Ho6 Th2",
"formula_reduced": "Ho3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 1.895748075,
"spacegroup": 194
},
{
"id": "jvasp-16214",
"created_at": "2022-09-04T14:36:45.238032Z",
"updated_at": "2022-09-04T14:36:45.238060Z",
"structure_string": "Hf4 P4\n1.0\n1.837484 -3.182614 0.000000\n1.837484 3.182614 0.000000\n-0.000000 0.000000 12.408305\nHf P\n4 4\ndirect\n0.333332 0.666666 0.616307 Hf\n0.666666 0.333332 0.116307 Hf\n0.666666 0.333332 0.383693 Hf\n0.333332 0.666666 0.883693 Hf\n0.666666 0.333332 0.750000 P\n0.333332 0.666666 0.250000 P\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"P"
],
"chemical_system": "Hf-P",
"density": 9.586674842385893,
"density_atomic": 0.055123907629568605,
"volume": 145.12759243702055,
"volume_molar": 10.924734872695616,
"formula_full": "Hf4 P4",
"formula_reduced": "HfP",
"formula_anonymous": "AB",
"energy_above_hull": 2.14794425,
"spacegroup": 194
}
]
}