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=density&page=625",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=623",
"results": [
{
"id": "jvasp-1762",
"created_at": "2022-09-04T14:36:16.376186Z",
"updated_at": "2022-09-04T14:36:16.376207Z",
"structure_string": "Sr1 C1 N2\n1.0\n3.724712 0.021954 4.149025\n1.603913 3.361759 4.149025\n0.034573 0.021954 5.575543\nSr C N\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Sr\n0.000000 0.000000 0.000000 C\n0.081018 0.081018 0.081018 N\n0.918981 0.918981 0.918982 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"C",
"N"
],
"chemical_system": "C-N-Sr",
"density": 3.074259074979516,
"density_atomic": 0.05801637800300038,
"volume": 68.94604830024267,
"volume_molar": 10.380070192745501,
"formula_full": "Sr1 C1 N2",
"formula_reduced": "SrCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6958707025,
"spacegroup": 166
},
{
"id": "jvasp-20248",
"created_at": "2022-09-04T14:37:44.784550Z",
"updated_at": "2022-09-04T14:37:44.784580Z",
"structure_string": "Ba4 Mg8\n1.0\n3.321968 -5.753818 0.000000\n3.321968 5.753818 0.000000\n-0.000000 -0.000000 10.508507\nBa Mg\n4 8\ndirect\n0.333333 0.666667 0.556619 Ba\n0.666667 0.333333 0.056619 Ba\n0.666667 0.333333 0.443381 Ba\n0.333333 0.666667 0.943381 Ba\n0.161847 0.838153 0.250000 Mg\n0.838154 0.676307 0.750000 Mg\n0.323694 0.161847 0.750000 Mg\n0.676307 0.838154 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.838153 0.161847 0.750000 Mg\n0.161847 0.323694 0.250000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg",
"density": 3.0743430720323404,
"density_atomic": 0.029871612531192276,
"volume": 401.7191903339488,
"volume_molar": 20.160079251535592,
"formula_full": "Ba4 Mg8",
"formula_reduced": "BaMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1267944629411764,
"spacegroup": 194
},
{
"id": "jvasp-116474",
"created_at": "2022-09-04T14:38:43.180505Z",
"updated_at": "2022-09-04T14:38:43.180538Z",
"structure_string": "Ti3 Be9\n1.0\n4.260929 0.002315 6.176037\n1.925459 3.801069 6.176037\n0.003765 0.002315 7.503261\nTi Be\n3 9\ndirect\n0.857454 0.857450 0.857452 Ti\n0.142548 0.142548 0.142548 Ti\n0.000000 0.000000 0.000000 Ti\n0.417783 0.921452 0.417782 Be\n0.417784 0.417780 0.921453 Be\n0.921455 0.417780 0.417782 Be\n0.582220 0.078545 0.582218 Be\n0.582219 0.582218 0.078547 Be\n0.078548 0.582218 0.582218 Be\n0.665933 0.665929 0.665931 Be\n0.334070 0.334069 0.334069 Be\n0.500001 0.499999 0.500000 Be\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Be"
],
"chemical_system": "Be-Ti",
"density": 3.0744505558862816,
"density_atomic": 0.09887261686439115,
"volume": 121.36828558364762,
"volume_molar": 6.090807496538372,
"formula_full": "Ti3 Be9",
"formula_reduced": "TiBe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2669416583333333,
"spacegroup": 166
},
{
"id": "jvasp-27246",
"created_at": "2022-09-04T14:37:41.473665Z",
"updated_at": "2022-09-04T14:37:41.473686Z",
"structure_string": "Ni1 Cl2 O8\n1.0\n4.460860 -0.043126 6.174349\n1.965809 4.004587 6.174349\n-0.069963 -0.043126 7.616886\nNi Cl O\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ni\n0.251527 0.251526 0.251526 Cl\n0.748475 0.748473 0.748474 Cl\n0.262870 -0.008599 0.573025 O\n0.573025 0.262868 -0.008598 O\n-0.008597 0.573025 0.262869 O\n0.737132 0.008597 0.426976 O\n0.426976 0.737131 0.008598 O\n0.008599 0.426975 0.737131 O\n0.185278 0.185277 0.185278 O\n0.814724 0.814721 0.814723 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ni",
"Cl",
"O"
],
"chemical_system": "Cl-Ni-O",
"density": 3.0745231882188233,
"density_atomic": 0.07906506020432806,
"volume": 139.12592960243967,
"volume_molar": 7.616690285743114,
"formula_full": "Ni1 Cl2 O8",
"formula_reduced": "Ni(ClO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 2.262939866818181,
"spacegroup": 148
},
{
"id": "jvasp-48105",
"created_at": "2022-09-04T14:36:08.663446Z",
"updated_at": "2022-09-04T14:36:08.663471Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n0.000000 5.227809 -0.126674\n6.241417 0.000000 0.000000\n0.000000 -0.003399 -5.229059\nLi Co Si O\n2 2 2 8\ndirect\n0.316899 0.492046 0.316696 Li\n0.683101 0.992046 0.683304 Li\n0.164169 0.742036 0.835784 Co\n0.835831 0.242036 0.164215 Co\n0.327034 0.992061 0.327026 Si\n0.672966 0.492060 0.672973 Si\n0.185011 0.211245 0.226990 O\n0.227057 0.772878 0.184959 O\n0.292024 0.967959 0.640847 O\n0.359152 0.516160 0.707910 O\n0.640848 0.016159 0.292090 O\n0.707976 0.467958 0.359152 O\n0.772943 0.272878 0.815041 O\n0.814989 0.711245 0.773009 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.0745778000781523,
"density_atomic": 0.08205305242298715,
"volume": 170.62131860530155,
"volume_molar": 7.339325694985235,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4444619285714286,
"spacegroup": 20
},
{
"id": "jvasp-11169",
"created_at": "2022-09-04T14:36:39.997700Z",
"updated_at": "2022-09-04T14:36:39.997720Z",
"structure_string": "K3 Nb1 O8\n1.0\n5.701983 0.054175 -2.468960\n-3.257686 5.135345 -1.275548\n0.034368 -0.054175 6.213468\nK Nb O\n3 1 8\ndirect\n0.500000 0.250000 0.750000 K\n0.499999 0.750000 0.249999 K\n-0.000001 0.499999 0.500000 K\n0.000000 0.000000 0.000000 Nb\n0.569305 0.806106 0.806107 O\n-0.000000 0.193892 0.763199 O\n-0.000001 0.763198 0.193892 O\n0.430693 0.236801 0.236801 O\n0.285087 0.335633 0.335633 O\n-0.000001 0.664366 0.949453 O\n-0.000001 0.949453 0.664366 O\n0.714913 0.050547 0.050546 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Nb",
"O"
],
"chemical_system": "K-Nb-O",
"density": 3.0748248803635794,
"density_atomic": 0.06570273557536278,
"volume": 182.64079714360875,
"volume_molar": 9.165738240978481,
"formula_full": "K3 Nb1 O8",
"formula_reduced": "K3NbO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.108427616666667,
"spacegroup": 121
},
{
"id": "jvasp-41698",
"created_at": "2022-09-04T14:37:35.805897Z",
"updated_at": "2022-09-04T14:37:35.805917Z",
"structure_string": "Ca1 La1 Mg2\n1.0\n-0.000000 3.946240 3.946240\n3.946240 0.000000 3.946240\n3.946240 3.946240 0.000000\nCa La Mg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ca\n0.750001 0.750001 0.750001 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"La",
"Mg"
],
"chemical_system": "Ca-La-Mg",
"density": 3.0748817297732898,
"density_atomic": 0.032544643048759245,
"volume": 122.90809255480524,
"volume_molar": 18.50424584770363,
"formula_full": "Ca1 La1 Mg2",
"formula_reduced": "CaLaMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2481",
"created_at": "2022-09-04T14:36:52.675337Z",
"updated_at": "2022-09-04T14:36:52.675358Z",
"structure_string": "Al2 Cd1 S4\n1.0\n5.039406 0.000000 -2.391539\n-1.134947 4.909939 -2.391539\n-0.022436 -0.028213 6.457964\nAl Cd S\n2 1 4\ndirect\n0.249999 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Cd\n0.911596 0.904236 0.272058 S\n0.360461 0.367821 0.272058 S\n0.095763 0.639539 0.727941 S\n0.632179 0.088404 0.727941 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.074916010793661,
"density_atomic": 0.043994584934601955,
"volume": 159.11049076620486,
"volume_molar": 13.688368168382372,
"formula_full": "Al2 Cd1 S4",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3184179071428572,
"spacegroup": 82
},
{
"id": "jvasp-118090",
"created_at": "2022-09-04T14:38:50.546986Z",
"updated_at": "2022-09-04T14:38:50.547013Z",
"structure_string": "Sc2 N2 Cl2\n1.0\n1.796615 1.037276 9.117538\n-1.796615 1.037276 9.117538\n-0.000000 -2.074552 9.117538\nSc N Cl\n2 2 2\ndirect\n0.115970 0.115970 0.115969 Sc\n0.884033 0.884033 0.884028 Sc\n0.196429 0.196429 0.196428 N\n0.803573 0.803573 0.803569 N\n0.387090 0.387090 0.387088 Cl\n0.612913 0.612913 0.612910 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 3.0757053102742478,
"density_atomic": 0.05885360459608707,
"volume": 101.94787628010323,
"volume_molar": 10.232407685697448,
"formula_full": "Sc2 N2 Cl2",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8507108558333325,
"spacegroup": 166
},
{
"id": "jvasp-107858",
"created_at": "2022-09-04T14:36:37.010823Z",
"updated_at": "2022-09-04T14:36:37.010848Z",
"structure_string": "K2 Na1 Ta1 Cl6\n1.0\n6.260590 -0.000000 3.614553\n2.086863 5.902541 3.614553\n-0.000000 -0.000000 7.229106\nK Na Ta Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ta\n0.741213 0.741213 0.258787 Cl\n0.741213 0.258787 0.258787 Cl\n0.258787 0.258787 0.741213 Cl\n0.741213 0.258787 0.741213 Cl\n0.258787 0.741213 0.258787 Cl\n0.258787 0.741213 0.741213 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Ta",
"Cl"
],
"chemical_system": "Cl-K-Na-Ta",
"density": 3.0759960797221253,
"density_atomic": 0.037433560022508756,
"volume": 267.1399672910354,
"volume_molar": 16.08754485648411,
"formula_full": "K2 Na1 Ta1 Cl6",
"formula_reduced": "K2NaTaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.4055128604999999,
"spacegroup": 225
},
{
"id": "jvasp-48575",
"created_at": "2022-09-04T14:36:44.026796Z",
"updated_at": "2022-09-04T14:36:44.026806Z",
"structure_string": "Li4 Mn2 F8\n1.0\n0.000000 3.224800 -0.017836\n9.647953 0.000000 0.000000\n0.000000 -0.028027 -5.024792\nLi Mn F\n4 2 8\ndirect\n0.499998 0.818284 0.482830 Li\n0.500001 0.318284 0.017170 Li\n0.499998 0.681716 0.982830 Li\n0.500001 0.181716 0.517170 Li\n-0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000009 0.373478 0.170537 F\n0.000009 0.126522 0.670537 F\n0.500002 0.628316 0.346396 F\n0.500002 0.871683 0.846396 F\n0.499998 0.128316 0.153604 F\n0.499997 0.371683 0.653604 F\n-0.000010 0.873478 0.329463 F\n-0.000010 0.626522 0.829463 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.0762325668652184,
"density_atomic": 0.08954855551057238,
"volume": 156.3397636084383,
"volume_molar": 6.725000448822434,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4191611959113298,
"spacegroup": 55
},
{
"id": "jvasp-3522",
"created_at": "2022-09-04T14:36:46.593416Z",
"updated_at": "2022-09-04T14:36:46.593440Z",
"structure_string": "Zn2 Cl4\n1.0\n4.820215 -0.000000 -2.229667\n-1.031368 4.708582 -2.229667\n0.047583 0.059133 6.428000\nZn Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.249999 0.749999 0.499999 Zn\n0.378558 0.375000 0.249999 Cl\n0.124999 0.621440 0.749999 Cl\n0.624999 0.128558 0.749999 Cl\n0.871440 0.874999 0.249999 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Cl"
],
"chemical_system": "Cl-Zn",
"density": 3.0762596012824592,
"density_atomic": 0.04077101200812792,
"volume": 147.16338163997176,
"volume_molar": 14.770643315891826,
"formula_full": "Zn2 Cl4",
"formula_reduced": "ZnCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0008866666666666,
"spacegroup": 122
}
]
}