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=updated_at&page=4153",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4151",
"results": [
{
"id": "jvasp-116232",
"created_at": "2022-09-04T14:38:40.808162Z",
"updated_at": "2022-09-04T14:38:40.808198Z",
"structure_string": "La1 S1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nLa S\n1 1\ndirect\n0.000000 0.000000 0.872933 La\n0.000000 0.000000 0.127067 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"S"
],
"chemical_system": "La-S",
"density": 0.48874316792296546,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "La1 S1",
"formula_reduced": "LaS",
"formula_anonymous": "AB",
"energy_above_hull": 1.7465875,
"spacegroup": 99
},
{
"id": "jvasp-114181",
"created_at": "2022-09-04T14:38:40.811755Z",
"updated_at": "2022-09-04T14:38:40.811777Z",
"structure_string": "Sr1 Ca3 S1\n1.0\n5.665762 0.000000 -0.000000\n-0.000000 5.665762 0.000000\n-0.000000 0.000000 5.665762\nSr Ca S\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.000000 0.499999 Ca\n0.000000 0.499999 0.499999 Ca\n0.499999 0.499999 0.000000 Ca\n0.499999 0.499999 0.499999 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"S"
],
"chemical_system": "Ca-S-Sr",
"density": 2.190477306360285,
"density_atomic": 0.027491283881322305,
"volume": 181.8758273198372,
"volume_molar": 21.905636659230268,
"formula_full": "Sr1 Ca3 S1",
"formula_reduced": "SrCa3S",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-114421",
"created_at": "2022-09-04T14:38:40.819801Z",
"updated_at": "2022-09-04T14:38:40.819825Z",
"structure_string": "Sc1 P1 Se1\n1.0\n2.791988 -0.000000 0.000000\n-0.000000 2.791988 -0.000000\n0.000000 -0.000000 8.848962\nSc P Se\n1 1 1\ndirect\n0.000000 0.000000 0.654641 Sc\n0.000000 0.000000 0.363001 P\n0.000000 0.000000 -0.039870 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"P",
"Se"
],
"chemical_system": "P-Sc-Se",
"density": 3.7286544585690287,
"density_atomic": 0.04349124397278556,
"volume": 68.97940196599656,
"volume_molar": 13.8467889393284,
"formula_full": "Sc1 P1 Se1",
"formula_reduced": "ScPSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.126511372222222,
"spacegroup": 99
},
{
"id": "jvasp-116121",
"created_at": "2022-09-04T14:38:40.823017Z",
"updated_at": "2022-09-04T14:38:40.823036Z",
"structure_string": "Rb1 Ge1 Se1\n1.0\n4.099640 -0.000000 0.000000\n-0.000000 4.099640 -0.000000\n-0.000000 -0.000000 8.749033\nRb Ge Se\n1 1 1\ndirect\n0.000000 0.000000 0.642158 Rb\n0.000000 0.000000 0.254161 Ge\n0.000000 0.000000 0.002102 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"Se"
],
"chemical_system": "Ge-Rb-Se",
"density": 2.677134362728018,
"density_atomic": 0.02040185968489074,
"volume": 147.04541871845868,
"volume_molar": 29.517606987856567,
"formula_full": "Rb1 Ge1 Se1",
"formula_reduced": "RbGeSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4159497722222222,
"spacegroup": 99
},
{
"id": "jvasp-114482",
"created_at": "2022-09-04T14:38:40.828887Z",
"updated_at": "2022-09-04T14:38:40.828911Z",
"structure_string": "Cu1 B1 C1\n1.0\n3.327132 -0.000000 -0.000000\n-1.663566 2.881381 0.000000\n0.000000 0.000000 3.749578\nCu B C\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Cu\n0.000000 0.000000 0.000000 B\n0.333332 0.666666 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"B",
"C"
],
"chemical_system": "B-C-Cu",
"density": 3.989765219072784,
"density_atomic": 0.08345803265657788,
"volume": 35.94621038270485,
"volume_molar": 7.215771290440736,
"formula_full": "Cu1 B1 C1",
"formula_reduced": "CuBC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.523551011111111,
"spacegroup": 187
},
{
"id": "jvasp-114451",
"created_at": "2022-09-04T14:38:40.829620Z",
"updated_at": "2022-09-04T14:38:40.829640Z",
"structure_string": "Ca1 Pd1 Au1\n1.0\n2.873032 0.000000 0.000000\n0.000000 2.873032 -0.000000\n0.000000 0.000000 8.133051\nCa Pd Au\n1 1 1\ndirect\n0.000000 0.000000 0.687469 Ca\n0.000000 0.000000 0.002272 Pd\n0.000000 0.000000 0.342059 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Pd",
"Au"
],
"chemical_system": "Au-Ca-Pd",
"density": 8.495650118513373,
"density_atomic": 0.0446875795905563,
"volume": 67.1327475662607,
"volume_molar": 13.476095181652314,
"formula_full": "Ca1 Pd1 Au1",
"formula_reduced": "CaPdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5963345633333332,
"spacegroup": 99
},
{
"id": "jvasp-106343",
"created_at": "2022-09-04T14:38:40.830831Z",
"updated_at": "2022-09-04T14:38:40.830851Z",
"structure_string": "Nb3 B4 W3\n1.0\n6.162525 0.002259 0.000000\n-0.068035 6.162150 0.000000\n0.000000 0.000000 3.230114\nNb B W\n3 4 3\ndirect\n0.498362 0.999792 0.000000 Nb\n0.000208 0.501638 0.000000 Nb\n0.825300 0.174701 0.499999 Nb\n0.390768 0.609232 0.000000 B\n0.605418 0.394582 0.000000 B\n0.113495 0.108154 0.000000 B\n0.891846 0.886505 0.000000 B\n0.176665 0.823335 0.499999 W\n0.672367 0.674430 0.499999 W\n0.325570 0.327633 0.499999 W\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"B",
"W"
],
"chemical_system": "B-Nb-W",
"density": 11.824779645410977,
"density_atomic": 0.08152474185736044,
"volume": 122.6621485965141,
"volume_molar": 7.386887247722444,
"formula_full": "Nb3 B4 W3",
"formula_reduced": "Nb3B4W3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 6.915785853333333,
"spacegroup": 38
},
{
"id": "jvasp-112499",
"created_at": "2022-09-04T14:38:40.839001Z",
"updated_at": "2022-09-04T14:38:40.839025Z",
"structure_string": "Ag3 Bi3 S6\n1.0\n4.047350 0.000000 0.000000\n-2.023676 3.505108 0.000000\n-0.000000 -0.000000 19.001226\nAg Bi S\n3 3 6\ndirect\n0.333333 0.666667 0.666647 Ag\n0.666666 0.333334 0.333354 Ag\n0.000000 0.000000 0.000000 Ag\n0.666666 0.333334 0.833306 Bi\n0.333333 0.666667 0.166694 Bi\n0.000000 0.000000 0.500000 Bi\n0.666666 0.333334 0.586856 S\n0.000000 0.000000 0.746447 S\n0.333333 0.666667 0.920168 S\n0.000000 0.000000 0.253553 S\n0.666666 0.333334 0.079832 S\n0.333333 0.666667 0.413145 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"S"
],
"chemical_system": "Ag-Bi-S",
"density": 7.040721145050788,
"density_atomic": 0.044517160598581476,
"volume": 269.558970937207,
"volume_molar": 13.52768388420508,
"formula_full": "Ag3 Bi3 S6",
"formula_reduced": "AgBiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.02461289,
"spacegroup": 166
},
{
"id": "jvasp-112500",
"created_at": "2022-09-04T14:38:40.844137Z",
"updated_at": "2022-09-04T14:38:40.844155Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n2.847261 -0.019640 0.087023\n0.005482 4.868069 0.856326\n-0.293280 0.046032 9.451220\nLi Mn Co O\n4 1 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500012 0.745958 0.247883 Li\n-0.000000 0.500000 0.500000 Li\n0.499987 0.254042 0.752117 Li\n0.500000 -0.000000 0.500000 Mn\n-0.000018 0.751840 0.751134 Co\n0.499999 0.500000 0.000000 Co\n0.000017 0.248160 0.248866 Co\n0.500153 0.850745 0.871015 O\n0.000207 0.596544 0.119933 O\n0.500175 0.349871 0.371038 O\n0.000184 0.107964 0.620939 O\n0.499845 0.149255 0.128985 O\n0.999815 0.892036 0.379061 O\n0.499824 0.650128 0.628962 O\n-0.000208 0.403456 0.880068 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.911179048580435,
"density_atomic": 0.12212047892452708,
"volume": 131.01815633959578,
"volume_molar": 4.931311122454576,
"formula_full": "Li4 Mn1 Co3 O8",
"formula_reduced": "Li4MnCo3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.708717996336207,
"spacegroup": 10
},
{
"id": "jvasp-115841",
"created_at": "2022-09-04T14:38:40.847453Z",
"updated_at": "2022-09-04T14:38:40.847480Z",
"structure_string": "Rb2 Ag1 Se1\n1.0\n0.000000 4.070242 4.070242\n4.070242 0.000000 4.070242\n4.070242 4.070242 0.000000\nRb Ag Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Se"
],
"chemical_system": "Ag-Rb-Se",
"density": 4.4050901681755255,
"density_atomic": 0.02965987398659408,
"volume": 134.86233966496127,
"volume_molar": 20.3039998171332,
"formula_full": "Rb2 Ag1 Se1",
"formula_reduced": "Rb2AgSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112516",
"created_at": "2022-09-04T14:38:40.849089Z",
"updated_at": "2022-09-04T14:38:40.849111Z",
"structure_string": "Dy2 Br6 O12\n1.0\n6.238788 -0.000000 0.000000\n-0.000000 4.965534 1.303851\n0.000000 -1.304994 11.409840\nDy Br O\n2 6 12\ndirect\n0.613568 0.500000 0.750000 Dy\n0.386433 0.500000 0.250000 Dy\n0.044525 0.000001 0.750000 Br\n0.955475 0.000000 0.250000 Br\n0.200366 0.706601 0.527473 Br\n0.799634 0.293399 0.472527 Br\n0.200366 0.293400 0.972527 Br\n0.799634 0.706600 0.027473 Br\n0.646109 0.244684 0.347166 O\n0.353891 0.755316 0.652833 O\n0.380531 0.306919 0.087637 O\n0.619469 0.693081 0.912363 O\n0.380531 0.693081 0.412363 O\n0.126456 0.209986 0.319192 O\n0.126456 0.790014 0.180807 O\n0.873544 0.209986 0.819192 O\n0.353891 0.244684 0.847166 O\n0.873544 0.790014 0.680807 O\n0.619469 0.306919 0.587637 O\n0.646109 0.755316 0.152834 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Br",
"O"
],
"chemical_system": "Br-Dy-O",
"density": 4.544577181864597,
"density_atomic": 0.05493300292273383,
"volume": 364.079859754455,
"volume_molar": 10.962700816611935,
"formula_full": "Dy2 Br6 O12",
"formula_reduced": "Dy(BrO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.7969809815,
"spacegroup": 13
},
{
"id": "jvasp-112440",
"created_at": "2022-09-04T14:38:40.849264Z",
"updated_at": "2022-09-04T14:38:40.849295Z",
"structure_string": "Fe6 O7 F5\n1.0\n4.508307 -0.003263 0.052823\n-0.070096 7.434064 -0.557653\n-0.010926 -0.014348 5.413891\nFe O F\n6 7 5\ndirect\n0.550317 0.651808 0.184048 Fe\n0.494305 0.005083 0.501614 Fe\n0.512208 0.341021 0.814845 Fe\n0.973402 0.688689 0.673270 Fe\n0.968034 0.316143 0.354962 Fe\n0.000560 0.985017 -0.006038 Fe\n0.200241 0.903616 0.700541 O\n0.301254 0.235107 0.531206 O\n0.701167 0.420568 0.123808 O\n0.807833 0.087218 0.284238 O\n0.801172 0.771392 0.963473 O\n0.796138 0.455419 0.633905 O\n0.695050 0.778596 0.475163 O\n0.215684 0.221172 0.023696 F\n0.726344 0.098929 0.806463 F\n0.276732 0.576721 0.871899 F\n0.292284 0.888852 0.186894 F\n0.187261 0.574644 0.376009 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.961630095569336,
"density_atomic": 0.09922067560559591,
"volume": 181.41380201391033,
"volume_molar": 6.069441397414109,
"formula_full": "Fe6 O7 F5",
"formula_reduced": "Fe6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.473899384027777,
"spacegroup": 1
}
]
}