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=3562",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3560",
"results": [
{
"id": "jvasp-63377",
"created_at": "2022-09-04T14:36:18.264750Z",
"updated_at": "2022-09-04T14:36:18.264775Z",
"structure_string": "B4 N4\n1.0\n2.514390 3.275901 0.963900\n-2.514390 3.275901 0.963900\n0.000000 2.283948 4.336399\nB N\n4 4\ndirect\n0.026022 0.276021 0.447962 B\n0.723979 0.973977 0.052038 B\n0.973977 0.723979 0.552038 B\n0.276021 0.026023 0.947962 B\n0.053399 0.303346 0.749950 N\n0.696654 0.946601 0.750051 N\n0.946601 0.696654 0.250051 N\n0.303346 0.053399 0.249949 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.7307238714576854,
"density_atomic": 0.13252479912557003,
"volume": 60.36606018485515,
"volume_molar": 4.544161394497867,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.7689079166666666,
"spacegroup": 70
},
{
"id": "jvasp-12340",
"created_at": "2022-09-04T14:38:15.818844Z",
"updated_at": "2022-09-04T14:38:15.818873Z",
"structure_string": "Tb1 Mn6 Sn6\n1.0\n2.730517 -4.729394 0.000000\n2.730517 4.729394 -0.000000\n0.000000 0.000000 8.968297\nTb Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000001 0.500000 0.751559 Mn\n0.500000 0.000001 0.751559 Mn\n0.500001 0.500001 0.751559 Mn\n0.000001 0.500000 0.248442 Mn\n0.500000 0.000001 0.248442 Mn\n0.500001 0.500001 0.248442 Mn\n0.333334 0.666667 0.000000 Sn\n0.666667 0.333334 0.000000 Sn\n0.333334 0.666667 0.500000 Sn\n0.666667 0.333334 0.500000 Sn\n0.000000 0.000000 0.666983 Sn\n0.000000 0.000000 0.333017 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Tb",
"density": 8.608635981232249,
"density_atomic": 0.05612456572823187,
"volume": 231.62762742698104,
"volume_molar": 10.729955202077818,
"formula_full": "Tb1 Mn6 Sn6",
"formula_reduced": "Tb(MnSn)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.7694616960212204,
"spacegroup": 191
},
{
"id": "jvasp-19829",
"created_at": "2022-09-04T14:36:46.079384Z",
"updated_at": "2022-09-04T14:36:46.079404Z",
"structure_string": "Fe6 P3\n1.0\n2.899407 -5.021920 -0.000000\n2.899407 5.021920 0.000000\n-0.000000 -0.000000 3.447491\nFe P\n6 3\ndirect\n0.000000 0.407594 0.500000 Fe\n0.592407 0.592407 0.500000 Fe\n0.407594 0.000000 0.500000 Fe\n0.742621 0.000000 0.000000 Fe\n0.257379 0.257379 0.000000 Fe\n0.000000 0.742621 0.000000 Fe\n0.666668 0.333334 0.000000 P\n0.333334 0.666668 0.000000 P\n0.000000 0.000000 0.500000 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Fe",
"P"
],
"chemical_system": "Fe-P",
"density": 7.079000032976111,
"density_atomic": 0.08964589336994853,
"volume": 100.39500596930877,
"volume_molar": 6.717698417202419,
"formula_full": "Fe6 P3",
"formula_reduced": "Fe2P",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7695021666666664,
"spacegroup": 189
},
{
"id": "jvasp-88246",
"created_at": "2022-09-04T14:36:21.951190Z",
"updated_at": "2022-09-04T14:36:21.951217Z",
"structure_string": "P4 H12 O16\n1.0\n6.057224 0.000000 -0.563816\n0.000000 5.315484 0.000000\n-0.176163 0.000000 9.800900\nP H O\n4 12 16\ndirect\n0.216796 0.209082 0.665916 P\n0.783204 0.709082 0.834084 P\n0.783204 0.790917 0.334084 P\n0.216796 0.290918 0.165916 P\n0.539510 0.105702 0.332402 H\n0.539510 0.394297 0.832402 H\n0.460490 0.894297 0.667598 H\n0.869518 0.436422 0.155796 H\n0.130482 0.936422 0.344203 H\n0.460489 0.605702 0.167598 H\n0.869518 0.063577 0.655796 H\n0.298981 0.167636 0.962521 H\n0.701019 0.667636 0.537479 H\n0.701019 0.832363 0.037479 H\n0.298981 0.332363 0.462521 H\n0.130482 0.563577 0.844203 H\n0.704465 0.432419 0.847089 O\n0.295535 0.932419 0.652910 O\n0.283135 0.177439 0.308269 O\n0.716864 0.677439 0.191731 O\n0.716864 0.822560 0.691731 O\n0.283136 0.322560 0.808269 O\n0.962358 0.291461 0.126990 O\n0.962359 0.208538 0.626990 O\n0.037642 0.708538 0.873009 O\n0.319562 0.116514 0.061823 O\n0.680438 0.616513 0.438177 O\n0.680438 0.883485 0.938177 O\n0.319562 0.383486 0.561823 O\n0.704465 0.067580 0.347089 O\n0.037641 0.791461 0.373009 O\n0.295535 0.567580 0.152910 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"H",
"O"
],
"chemical_system": "H-O-P",
"density": 2.066134624792093,
"density_atomic": 0.10157685951464551,
"volume": 315.03238191161233,
"volume_molar": 5.928654211968148,
"formula_full": "P4 H12 O16",
"formula_reduced": "PH3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.7695999375,
"spacegroup": 14
},
{
"id": "jvasp-59167",
"created_at": "2022-09-04T14:38:33.843156Z",
"updated_at": "2022-09-04T14:38:33.843183Z",
"structure_string": "Li2 Co2 P4 O14\n1.0\n4.932206 -0.065210 -0.053660\n0.235315 6.573497 0.067392\n0.324892 3.059749 7.633081\nLi Co P O\n2 2 4 14\ndirect\n0.278540 0.824101 0.004800 Li\n0.803907 0.090636 0.457536 Li\n0.757187 0.799437 0.269799 Co\n0.243371 0.224748 0.722474 Co\n0.276108 0.463615 0.311587 P\n0.714998 0.555426 0.678164 P\n0.244568 0.120762 0.166070 P\n0.765040 0.883415 0.839265 P\n0.672445 0.851922 0.025880 O\n0.589789 0.050052 0.696413 O\n0.898194 0.354675 0.747523 O\n0.443730 0.964083 0.299503 O\n0.824038 0.745907 0.512518 O\n0.289426 0.131910 0.981355 O\n0.068129 0.919865 0.800274 O\n0.153069 0.280280 0.470468 O\n0.098206 0.671135 0.228879 O\n0.705733 0.646344 0.834240 O\n0.945336 0.071623 0.229963 O\n0.290286 0.366586 0.156654 O\n0.571030 0.519523 0.331103 O\n0.421644 0.499322 0.660047 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.229039007948853,
"density_atomic": 0.08919406832546982,
"volume": 246.65317338953344,
"volume_molar": 6.751727859329349,
"formula_full": "Li2 Co2 P4 O14",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7696296727272727,
"spacegroup": 1
},
{
"id": "jvasp-112347",
"created_at": "2022-09-04T14:38:26.419623Z",
"updated_at": "2022-09-04T14:38:26.419655Z",
"structure_string": "Sr3 Pr1 Mn4 O12\n1.0\n6.268074 -0.000000 -2.216099\n-3.134037 5.428311 -2.216099\n-0.000000 -0.000000 6.648296\nSr Pr Mn O\n3 1 4 12\ndirect\n0.499999 0.500000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.499999 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.245752 0.245752 0.491504 O\n0.754247 0.754247 0.508496 O\n0.754247 0.000000 0.245752 O\n0.245752 0.491504 0.245752 O\n0.245752 0.000000 0.754248 O\n-0.000000 0.754247 0.245752 O\n0.508495 0.754247 0.754247 O\n-0.000000 0.245752 0.754248 O\n0.245752 0.754247 -0.000000 O\n0.491504 0.245752 0.245752 O\n0.754247 0.508496 0.754247 O\n0.754247 0.245752 -0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Pr-Sr",
"density": 5.986467171772242,
"density_atomic": 0.08841395375075949,
"volume": 226.2086373422498,
"volume_molar": 6.8113012760141025,
"formula_full": "Sr3 Pr1 Mn4 O12",
"formula_reduced": "Sr3PrMn4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7697869872758623,
"spacegroup": 229
},
{
"id": "jvasp-99442",
"created_at": "2022-09-04T14:36:34.251220Z",
"updated_at": "2022-09-04T14:36:34.251251Z",
"structure_string": "Y3 Mn3 Ga2 Ge1\n1.0\n6.993740 0.000000 0.000000\n-3.496871 6.056756 0.000000\n-0.000000 -0.000000 4.113869\nY Mn Ga Ge\n3 3 2 1\ndirect\n0.914534 0.664851 0.500000 Y\n0.750317 0.085466 0.500000 Y\n0.335150 0.249683 0.500000 Y\n0.558101 0.662768 -0.000000 Mn\n0.104667 0.441899 -0.000000 Mn\n0.337233 0.895334 -0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.333334 0.666667 0.500000 Ga\n0.666667 0.333334 -0.000000 Ge\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Y",
"Mn",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Mn-Y",
"density": 6.133057651881063,
"density_atomic": 0.05164668965463222,
"volume": 174.2609266960595,
"volume_molar": 11.660264772574578,
"formula_full": "Y3 Mn3 Ga2 Ge1",
"formula_reduced": "Y3Mn3Ga2Ge",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.769933186015326,
"spacegroup": 174
},
{
"id": "jvasp-43763",
"created_at": "2022-09-04T14:36:12.607249Z",
"updated_at": "2022-09-04T14:36:12.607279Z",
"structure_string": "Mn4 P4 O16\n1.0\n4.761225 -0.000000 0.000000\n-0.000000 6.539136 0.000000\n0.000000 0.000000 8.561812\nMn P O\n4 4 16\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.537441 0.250000 0.179107 P\n0.962558 0.250000 0.679107 P\n0.037441 0.750000 0.320892 P\n0.462559 0.750000 0.820892 P\n0.770084 0.750000 0.873919 O\n0.428524 0.750000 0.635656 O\n0.729915 0.750000 0.373919 O\n0.071476 0.750000 0.135657 O\n0.314016 0.553965 0.876310 O\n0.185983 0.553965 0.376310 O\n0.814016 0.446036 0.623690 O\n0.571475 0.250000 0.364343 O\n0.928523 0.250000 0.864343 O\n0.270084 0.250000 0.626081 O\n0.185983 0.946036 0.376310 O\n0.229916 0.250000 0.126081 O\n0.814016 0.053965 0.623690 O\n0.685983 0.053965 0.123690 O\n0.685983 0.446036 0.123690 O\n0.314016 0.946036 0.876310 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.735366439000909,
"density_atomic": 0.09003398630060827,
"volume": 266.56600452931247,
"volume_molar": 6.688741671276323,
"formula_full": "Mn4 P4 O16",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7699511235632186,
"spacegroup": 62
},
{
"id": "jvasp-18207",
"created_at": "2022-09-04T14:38:11.891023Z",
"updated_at": "2022-09-04T14:38:11.891039Z",
"structure_string": "Zr1 Co1 Sb1\n1.0\n3.870930 -0.000000 2.234882\n1.290310 3.649548 2.234882\n-0.000000 -0.000000 4.469764\nZr Co Sb\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.249999 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Sb"
],
"chemical_system": "Co-Sb-Zr",
"density": 7.150670689245069,
"density_atomic": 0.04750969731861362,
"volume": 63.14500342700864,
"volume_molar": 12.675603297604278,
"formula_full": "Zr1 Co1 Sb1",
"formula_reduced": "ZrCoSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.770020500000001,
"spacegroup": 216
},
{
"id": "jvasp-57946",
"created_at": "2022-09-04T14:37:02.576172Z",
"updated_at": "2022-09-04T14:37:02.576206Z",
"structure_string": "Y1 Ti4 Cu3 O12\n1.0\n6.091047 0.000025 -2.153567\n-3.045487 5.275045 -2.153524\n-0.000038 -0.000010 6.460600\nY Ti Cu O\n1 4 3 12\ndirect\n-0.000002 -0.000002 0.999997 Y\n0.500001 0.000003 0.999998 Ti\n0.999997 0.999999 0.499998 Ti\n0.000003 0.500002 0.000001 Ti\n0.499999 0.499998 0.500000 Ti\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000001 0.500001 0.500001 Cu\n0.704208 0.528311 0.824102 O\n0.175898 0.295783 0.471685 O\n0.528310 0.824099 0.704210 O\n0.704208 0.880105 0.175896 O\n0.119892 0.824101 0.295792 O\n0.175899 0.704215 0.880115 O\n0.295793 0.471689 0.175899 O\n0.824102 0.704217 0.528317 O\n0.880107 0.175898 0.704209 O\n0.824102 0.295786 0.119886 O\n0.471690 0.175900 0.295791 O\n0.295792 0.119895 0.824103 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti-Y",
"density": 5.303651571735334,
"density_atomic": 0.09634724678936407,
"volume": 207.58247554000508,
"volume_molar": 6.250454435055838,
"formula_full": "Y1 Ti4 Cu3 O12",
"formula_reduced": "YTi4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7701076066666674,
"spacegroup": 204
},
{
"id": "jvasp-58437",
"created_at": "2022-09-04T14:38:18.295006Z",
"updated_at": "2022-09-04T14:38:18.295021Z",
"structure_string": "K2 Yb2 C4 O12\n1.0\n6.277678 -0.178528 -1.437436\n-1.230122 6.158565 -1.437436\n0.064673 0.076621 6.841780\nYb K C O\n2 2 4 12\ndirect\n0.592562 0.407438 0.249999 Yb\n0.407438 0.592561 0.749999 Yb\n0.130465 0.869535 0.249999 K\n0.869535 0.130464 0.749999 K\n0.139950 0.391195 0.244498 C\n0.391195 0.139949 0.744498 C\n0.860050 0.608804 0.755501 C\n0.608805 0.860049 0.255501 C\n0.057720 0.588012 0.787961 O\n0.588013 0.057720 0.287961 O\n0.942280 0.411987 0.212038 O\n0.241224 0.197888 0.625206 O\n0.758776 0.802111 0.374792 O\n0.197888 0.241224 0.125206 O\n0.527799 0.290111 0.894847 O\n0.709889 0.472200 0.605151 O\n0.472201 0.709888 0.105151 O\n0.290111 0.527799 0.394847 O\n0.411987 0.942279 0.712038 O\n0.802112 0.758775 0.874792 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"K",
"C",
"O"
],
"chemical_system": "C-K-O-Yb",
"density": 4.171725614286744,
"density_atomic": 0.07563527772036736,
"volume": 264.4268733162108,
"volume_molar": 7.962079259184548,
"formula_full": "K2 Yb2 C4 O12",
"formula_reduced": "KYb(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.77023497,
"spacegroup": 15
},
{
"id": "jvasp-97010",
"created_at": "2022-09-04T14:36:17.443268Z",
"updated_at": "2022-09-04T14:36:17.443295Z",
"structure_string": "Na6 Sr2 B10 O20\n1.0\n6.888213 -0.004204 2.430911\n3.407674 6.655151 1.206709\n0.042941 0.058616 9.731463\nNa Sr B O\n6 2 10 20\ndirect\n0.277466 0.017242 0.114304 Na\n0.722532 0.982760 0.885696 Na\n0.849686 0.505133 0.163661 Na\n0.150312 0.494869 0.836339 Na\n0.206024 0.281175 0.446516 Na\n0.793974 0.718826 0.553484 Na\n0.210452 0.948447 0.773753 Sr\n0.789546 0.051554 0.226247 Sr\n0.306578 0.624921 0.285137 B\n0.841375 0.249305 0.454686 B\n0.158624 0.750696 0.545314 B\n0.859006 0.324801 0.921365 B\n0.140993 0.675200 0.078635 B\n0.506721 0.228501 0.622907 B\n0.493278 0.771500 0.377093 B\n0.608923 0.668812 0.864076 B\n0.391075 0.331189 0.135923 B\n0.693421 0.375080 0.714863 B\n0.825579 0.250429 0.814962 O\n0.174420 0.749572 0.185038 O\n0.159289 0.650420 0.436671 O\n0.982521 0.220163 0.320697 O\n0.017478 0.779838 0.679303 O\n0.763089 0.535180 0.936234 O\n0.491091 0.862512 0.894080 O\n0.508908 0.137489 0.105920 O\n0.681366 0.178331 0.490060 O\n0.318632 0.821670 0.509940 O\n0.526847 0.312002 0.730932 O\n0.586086 0.590280 0.753194 O\n0.413912 0.409721 0.246806 O\n0.840709 0.349581 0.563328 O\n0.667698 0.798412 0.357943 O\n0.987505 0.206320 0.002826 O\n0.012493 0.793681 0.997174 O\n0.332300 0.201589 0.642057 O\n0.236909 0.464821 0.063765 O\n0.473151 0.687999 0.269068 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Na",
"Sr",
"B",
"O"
],
"chemical_system": "B-Na-O-Sr",
"density": 2.7626732981767836,
"density_atomic": 0.08528717497827182,
"volume": 445.5535080119733,
"volume_molar": 7.061015635157608,
"formula_full": "Na6 Sr2 B10 O20",
"formula_reduced": "Na3Sr(BO2)5",
"formula_anonymous": "AB3C5D10",
"energy_above_hull": 2.770235854035088,
"spacegroup": 2
}
]
}