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=-created_at&page=963",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=961",
"results": [
{
"id": "jvasp-22127",
"created_at": "2022-09-04T14:38:17.813422Z",
"updated_at": "2022-09-04T14:38:17.813441Z",
"structure_string": "Na1 Zr2 Zn1 F11\n1.0\n5.325843 0.013108 2.019990\n1.014824 5.228280 2.019990\n0.001701 0.001406 7.829418\nNa Zr Zn F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.506284 0.506286 0.764143 Zr\n0.493714 0.493716 0.235858 Zr\n-0.000000 0.000000 0.500000 Zn\n0.813829 0.222529 0.687457 F\n0.777471 0.186171 0.312543 F\n0.186170 0.777472 0.312543 F\n0.222527 0.813830 0.687457 F\n0.499999 0.500001 0.500000 F\n0.328040 0.671960 0.000000 F\n0.671959 0.328041 0.000000 F\n0.246249 0.246249 0.347865 F\n0.753750 0.753752 0.652135 F\n0.266767 0.266769 0.891484 F\n0.733231 0.733233 0.108516 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Zn",
"F"
],
"chemical_system": "F-Na-Zn-Zr",
"density": 3.6570149962121916,
"density_atomic": 0.06884655687047495,
"volume": 217.87581953038517,
"volume_molar": 8.747192356082243,
"formula_full": "Na1 Zr2 Zn1 F11",
"formula_reduced": "NaZr2ZnF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.1567741005000005,
"spacegroup": 12
},
{
"id": "jvasp-87107",
"created_at": "2022-09-04T14:38:17.812085Z",
"updated_at": "2022-09-04T14:38:17.812103Z",
"structure_string": "Rb4 Co2 S4\n1.0\n5.572685 0.000000 -2.336900\n-1.259617 6.129590 -3.003745\n0.075452 0.002114 7.992827\nRb Co S\n4 2 4\ndirect\n0.647946 0.809586 0.295893 Rb\n0.352054 0.190413 0.704108 Rb\n0.852054 0.513693 0.704108 Rb\n0.147946 0.486306 0.295893 Rb\n0.250000 -0.000000 0.000000 Co\n0.750001 -0.000000 0.000000 Co\n0.403588 0.727984 0.807178 S\n0.596412 0.272015 0.192823 S\n0.096411 0.920807 0.192823 S\n0.903588 0.079192 0.807178 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Co",
"S"
],
"chemical_system": "Co-Rb-S",
"density": 3.5616116792504093,
"density_atomic": 0.03647723602458658,
"volume": 274.1435780183495,
"volume_molar": 16.50931215276543,
"formula_full": "Rb4 Co2 S4",
"formula_reduced": "Rb2CoS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9344081799999998,
"spacegroup": 72
},
{
"id": "jvasp-54950",
"created_at": "2022-09-04T14:38:17.805486Z",
"updated_at": "2022-09-04T14:38:17.805513Z",
"structure_string": "Hf1 Co2 Si2\n1.0\n3.521092 -0.000000 -1.270615\n-0.458512 3.491111 -1.270615\n-0.011836 -0.013491 5.481281\nHf Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.750000 0.500001 Co\n0.749999 0.250000 0.500001 Co\n0.378506 0.378507 0.757014 Si\n0.621493 0.621493 0.242987 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"Co",
"Si"
],
"chemical_system": "Co-Hf-Si",
"density": 8.703575024793963,
"density_atomic": 0.07434054121673063,
"volume": 67.25805217671365,
"volume_molar": 8.100749149031879,
"formula_full": "Hf1 Co2 Si2",
"formula_reduced": "Hf(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.7623344,
"spacegroup": 139
},
{
"id": "jvasp-97861",
"created_at": "2022-09-04T14:38:17.803099Z",
"updated_at": "2022-09-04T14:38:17.803127Z",
"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sb",
"S",
"I",
"F"
],
"chemical_system": "F-I-S-Sb",
"density": 3.040704365641981,
"density_atomic": 0.04678395827411979,
"volume": 1282.4908839146074,
"volume_molar": 12.872234377250974,
"formula_full": "Sb4 S28 I4 F24",
"formula_reduced": "SbS7IF6",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 1.0564976046666668,
"spacegroup": 19
},
{
"id": "jvasp-109245",
"created_at": "2022-09-04T14:38:17.798272Z",
"updated_at": "2022-09-04T14:38:17.798299Z",
"structure_string": "Rb2 Hg1 Bi1 Cl6\n1.0\n6.753070 -0.000000 3.898887\n2.251023 6.366855 3.898887\n-0.000000 -0.000000 7.797773\nRb Hg Bi Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.754469 0.245531 0.245531 Cl\n0.245531 0.245531 0.754469 Cl\n0.245530 0.754470 0.754469 Cl\n0.245530 0.754470 0.245531 Cl\n0.754469 0.245531 0.754469 Cl\n0.754468 0.754470 0.245532 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-Rb",
"density": 3.928693462954242,
"density_atomic": 0.0298265622888092,
"volume": 335.271624774269,
"volume_molar": 20.190529172245512,
"formula_full": "Rb2 Hg1 Bi1 Cl6",
"formula_reduced": "Rb2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-17393",
"created_at": "2022-09-04T14:38:17.790875Z",
"updated_at": "2022-09-04T14:38:17.790895Z",
"structure_string": "Sc3 P3 Ru3\n1.0\n3.284831 -5.689494 -0.000000\n3.284831 5.689494 0.000000\n0.000000 0.000000 3.638260\nSc P Ru\n3 3 3\ndirect\n0.589359 0.000000 0.500000 Sc\n0.000000 0.589359 0.500000 Sc\n0.410641 0.410641 0.500000 Sc\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.500000 P\n0.755839 0.755839 0.000000 Ru\n0.000000 0.244160 0.000000 Ru\n0.244160 0.000000 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"P",
"Ru"
],
"chemical_system": "P-Ru-Sc",
"density": 6.483841904489455,
"density_atomic": 0.06618081448203511,
"volume": 135.9910734015379,
"volume_molar": 9.099526512528369,
"formula_full": "Sc3 P3 Ru3",
"formula_reduced": "ScPRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.585457083333334,
"spacegroup": 189
},
{
"id": "jvasp-9685",
"created_at": "2022-09-04T14:38:17.781848Z",
"updated_at": "2022-09-04T14:38:17.781868Z",
"structure_string": "Sc2 Al6 C6\n1.0\n1.680507 -2.910722 -0.000000\n1.680507 2.910722 -0.000000\n-0.000000 0.000000 16.801490\nSc Al C\n2 6 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333334 0.666668 0.128807 Al\n0.666668 0.333334 0.871193 Al\n0.333334 0.666668 0.750000 Al\n0.333334 0.666668 0.371193 Al\n0.666668 0.333334 0.628807 Al\n0.666668 0.333334 0.250000 Al\n0.666668 0.333334 0.086526 C\n0.666668 0.333334 0.750000 C\n0.333334 0.666668 0.250000 C\n0.333334 0.666668 0.913474 C\n0.666668 0.333334 0.413474 C\n0.333334 0.666668 0.586526 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Al",
"C"
],
"chemical_system": "Al-C-Sc",
"density": 3.2718592214723925,
"density_atomic": 0.08517442060428253,
"volume": 164.36859682372864,
"volume_molar": 7.070363047115592,
"formula_full": "Sc2 Al6 C6",
"formula_reduced": "Sc(AlC)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 4.128660521428571,
"spacegroup": 194
},
{
"id": "jvasp-17282",
"created_at": "2022-09-04T14:38:17.780636Z",
"updated_at": "2022-09-04T14:38:17.780658Z",
"structure_string": "Ni2 B2\n1.0\n2.765122 -0.000000 -1.093562\n0.000000 2.977702 0.000000\n-0.031080 0.000000 3.964065\nNi B\n2 2\ndirect\n0.147734 0.749999 0.295468 Ni\n0.852266 0.250000 0.704534 Ni\n0.434531 0.749999 0.869062 B\n0.565468 0.250000 0.130939 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"B"
],
"chemical_system": "B-Ni",
"density": 7.094206620407101,
"density_atomic": 0.12293411888565145,
"volume": 32.53775303600333,
"volume_molar": 4.898673219923235,
"formula_full": "Ni2 B2",
"formula_reduced": "NiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.7383524916666666,
"spacegroup": 63
},
{
"id": "jvasp-109329",
"created_at": "2022-09-04T14:38:17.769987Z",
"updated_at": "2022-09-04T14:38:17.770016Z",
"structure_string": "La1 Bi2 Cl1 O4\n1.0\n3.978396 -0.000000 0.000000\n0.000000 3.978396 0.000000\n-0.000000 -0.000000 9.112550\nLa Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500001 0.285831 Bi\n0.500001 0.500001 0.714169 Bi\n0.000000 0.000000 0.500000 Cl\n-0.000000 0.500001 0.166031 O\n-0.000000 0.500001 0.833969 O\n0.500001 0.000000 0.166031 O\n0.500001 0.000000 0.833969 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-La-O",
"density": 7.5562570180903315,
"density_atomic": 0.05546691907816216,
"volume": 144.23011288452244,
"volume_molar": 10.857175520266047,
"formula_full": "La1 Bi2 Cl1 O4",
"formula_reduced": "LaBi2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6810577084375002,
"spacegroup": 123
},
{
"id": "jvasp-108745",
"created_at": "2022-09-04T14:38:17.767007Z",
"updated_at": "2022-09-04T14:38:17.767016Z",
"structure_string": "Nd1 Sm1 Mn4 Ge4\n1.0\n3.985557 -0.000000 0.000000\n0.000000 3.985557 0.000000\n-0.000000 -0.000000 10.912024\nNd Sm Mn Ge\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Sm\n-0.000000 0.500000 0.251800 Mn\n0.500000 0.000000 0.748200 Mn\n0.500000 0.000000 0.251800 Mn\n-0.000000 0.500000 0.748200 Mn\n0.500000 0.500000 0.125101 Ge\n0.000000 0.000000 0.621880 Ge\n0.000000 0.000000 0.378120 Ge\n0.500000 0.500000 0.874899 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"Sm",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Nd-Sm",
"density": 7.711081868037803,
"density_atomic": 0.05769213860445979,
"volume": 173.3338413498675,
"volume_molar": 10.438407910804106,
"formula_full": "Nd1 Sm1 Mn4 Ge4",
"formula_reduced": "NdSm(MnGe)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 2.748125314051724,
"spacegroup": 123
},
{
"id": "jvasp-109989",
"created_at": "2022-09-04T14:38:17.766702Z",
"updated_at": "2022-09-04T14:38:17.766717Z",
"structure_string": "Li3 Sn1\n1.0\n4.014476 -0.000000 2.317759\n1.338159 3.784885 2.317759\n-0.000000 -0.000000 4.635518\nLi Sn\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.749999 0.750000 Li\n0.500001 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Sn"
],
"chemical_system": "Li-Sn",
"density": 3.2896235581870252,
"density_atomic": 0.05679108489507265,
"volume": 70.43359019096765,
"volume_molar": 10.604024859054062,
"formula_full": "Li3 Sn1",
"formula_reduced": "Li3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.506415425,
"spacegroup": 225
},
{
"id": "jvasp-109036",
"created_at": "2022-09-04T14:38:17.764154Z",
"updated_at": "2022-09-04T14:38:17.764170Z",
"structure_string": "Cu2 Au6\n1.0\n5.686961 -0.000000 0.000000\n-2.843480 4.925053 0.000000\n-0.000000 -0.000000 4.737966\nCu Au\n2 6\ndirect\n0.333333 0.666666 0.750001 Cu\n0.666666 0.333333 0.250000 Cu\n0.169272 0.338543 0.250000 Au\n0.661456 0.830727 0.250000 Au\n0.169272 0.830727 0.250000 Au\n0.830727 0.661456 0.750001 Au\n0.338543 0.169272 0.750001 Au\n0.830728 0.169272 0.750001 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Au"
],
"chemical_system": "Au-Cu",
"density": 16.378330029185268,
"density_atomic": 0.06028467011310009,
"volume": 132.70372028230722,
"volume_molar": 9.989506036446512,
"formula_full": "Cu2 Au6",
"formula_reduced": "CuAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.28074838,
"spacegroup": 194
}
]
}