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=3446",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3444",
"results": [
{
"id": "jvasp-9388",
"created_at": "2022-09-04T14:38:08.962600Z",
"updated_at": "2022-09-04T14:38:08.962623Z",
"structure_string": "Nd2 Ta2 O8\n1.0\n0.000000 5.275225 -0.002576\n5.625124 0.000000 0.000000\n0.000000 -0.646723 -5.429802\nNd Ta O\n2 2 8\ndirect\n0.000000 0.764033 0.250000 Nd\n0.000000 0.235967 0.750000 Nd\n0.500001 0.688012 0.750000 Ta\n0.500001 0.311987 0.250000 Ta\n0.274337 0.561374 0.990556 O\n0.725665 0.561374 0.509444 O\n0.725664 0.438626 0.009444 O\n0.274337 0.438626 0.490556 O\n0.743612 0.091344 0.390125 O\n0.256390 0.091344 0.109876 O\n0.256390 0.908655 0.609876 O\n0.743612 0.908655 0.890125 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Ta",
"O"
],
"chemical_system": "Nd-O-Ta",
"density": 8.021500475739543,
"density_atomic": 0.07447300975047434,
"volume": 161.13220131973475,
"volume_molar": 8.08633997763417,
"formula_full": "Nd2 Ta2 O8",
"formula_reduced": "NdTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.752089116666667,
"spacegroup": 13
},
{
"id": "jvasp-53509",
"created_at": "2022-09-04T14:38:08.963401Z",
"updated_at": "2022-09-04T14:38:08.963415Z",
"structure_string": "Yb2 Ho4 S8\n1.0\n6.762947 -0.000044 -2.400793\n-3.376937 5.864644 -2.387855\n-0.009174 -0.000044 7.176432\nYb Ho S\n2 4 8\ndirect\n0.124999 0.750001 0.875000 Yb\n0.375001 0.250001 0.624999 Yb\n0.250003 0.628132 0.378129 Ho\n0.749996 0.871870 0.121872 Ho\n0.621871 0.371870 0.249996 Ho\n0.878130 0.128133 0.750004 Ho\n0.995040 0.855584 0.494752 S\n0.139459 0.144418 0.139168 S\n0.505248 0.000281 0.360826 S\n0.360545 0.499716 0.004970 S\n0.639168 0.644418 0.639460 S\n0.504970 -0.000283 0.860545 S\n0.860826 0.500281 0.005248 S\n0.994751 0.355584 0.495040 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Ho",
"S"
],
"chemical_system": "Ho-S-Yb",
"density": 7.367721082694978,
"density_atomic": 0.049208736176925304,
"volume": 284.5023279944508,
"volume_molar": 12.237950469501937,
"formula_full": "Yb2 Ho4 S8",
"formula_reduced": "Yb(HoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2352502619047616,
"spacegroup": 122
},
{
"id": "jvasp-59282",
"created_at": "2022-09-04T14:38:08.963815Z",
"updated_at": "2022-09-04T14:38:08.963829Z",
"structure_string": "Li2 Ca2 Pr2 Te2 O12\n1.0\n0.000000 5.529126 0.005841\n5.728677 0.000000 0.000000\n0.000000 -5.446725 -7.837636\nLi Ca Pr Te O\n2 2 2 2 12\ndirect\n0.500260 0.264049 0.001530 Li\n0.500260 0.735952 0.501531 Li\n0.263462 0.694887 0.750452 Ca\n0.263462 0.305113 0.250452 Ca\n0.734139 0.192072 0.748039 Pr\n0.734139 0.807928 0.248039 Pr\n0.999382 0.743671 0.999236 Te\n0.999382 0.256329 0.499235 Te\n0.669040 0.064827 0.454239 O\n0.330148 0.555434 0.044923 O\n0.763469 0.535858 0.450694 O\n0.149099 0.284410 0.739547 O\n0.854505 0.224320 0.260097 O\n0.763469 0.464142 0.950694 O\n0.669040 0.935174 0.954239 O\n0.330147 0.444567 0.544923 O\n0.236499 0.027832 0.051247 O\n0.149100 0.715591 0.239547 O\n0.236499 0.972169 0.551247 O\n0.854505 0.775680 0.760097 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Pr",
"Te",
"O"
],
"chemical_system": "Ca-Li-O-Pr-Te",
"density": 5.509298423793157,
"density_atomic": 0.08062190102934466,
"volume": 248.0715505916987,
"volume_molar": 7.469608981073354,
"formula_full": "Li2 Ca2 Pr2 Te2 O12",
"formula_reduced": "LiCaPrTeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 1.8250459036666664,
"spacegroup": 7
},
{
"id": "jvasp-9673",
"created_at": "2022-09-04T14:38:08.967393Z",
"updated_at": "2022-09-04T14:38:08.967428Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n5.900729 -0.000000 -3.097959\n-1.626468 5.672145 -3.097959\n-0.272800 -0.362020 6.648978\nZn Sb O\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n0.000000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.750353 0.751083 0.500707 O\n0.750377 0.249648 0.999294 O\n0.248917 0.249648 0.999294 O\n0.249647 0.248918 0.499294 O\n0.249647 0.750378 0.499294 O\n0.249623 0.750353 0.000706 O\n0.750353 0.249623 0.500706 O\n0.751083 0.750353 0.000706 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 5.917309366893489,
"density_atomic": 0.06688825350122413,
"volume": 209.30431379470514,
"volume_molar": 9.003285995335174,
"formula_full": "Zn2 Sb4 O8",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.676076657142857,
"spacegroup": 227
},
{
"id": "jvasp-18243",
"created_at": "2022-09-04T14:38:08.969589Z",
"updated_at": "2022-09-04T14:38:08.969604Z",
"structure_string": "Ti2 Si2\n1.0\n-3.642767 0.000000 0.000000\n-1.821383 -3.830066 -2.120275\n-1.821383 -3.830066 2.120275\nTi Si\n2 2\ndirect\n0.499999 0.449262 0.550739 Ti\n-0.000001 0.949274 0.050727 Ti\n0.750000 0.699232 0.800767 Si\n0.249998 0.199234 0.300769 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.2634514982003555,
"density_atomic": 0.06760832113351949,
"volume": 59.16431487923522,
"volume_molar": 8.907395804292923,
"formula_full": "Ti2 Si2",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.088028466666666,
"spacegroup": 65
},
{
"id": "jvasp-37179",
"created_at": "2022-09-04T14:38:08.974023Z",
"updated_at": "2022-09-04T14:38:08.974051Z",
"structure_string": "Mn1 Si1 Ni2\n1.0\n2.849932 2.849932 0.000000\n2.849932 -0.000000 -2.849932\n0.000000 2.849932 -2.849932\nMn Si Ni\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ni"
],
"chemical_system": "Mn-Ni-Si",
"density": 7.188458074790838,
"density_atomic": 0.08640253852905469,
"volume": 46.294936099069766,
"volume_molar": 6.969865541595086,
"formula_full": "Mn1 Si1 Ni2",
"formula_reduced": "MnSiNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2890676603448274,
"spacegroup": 225
},
{
"id": "jvasp-9850",
"created_at": "2022-09-04T14:38:08.974658Z",
"updated_at": "2022-09-04T14:38:08.974675Z",
"structure_string": "Ca4 Cr4 O8\n1.0\n3.068118 0.017062 0.002914\n1.485812 8.519099 -0.020270\n1.523193 0.485039 8.605286\nCa Cr O\n4 4 8\ndirect\n0.380061 0.302839 0.937052 Ca\n0.595889 0.725368 0.083037 Ca\n0.791744 0.097480 0.319102 Ca\n0.184199 0.930726 0.700981 Ca\n0.817101 0.603167 0.762751 Cr\n0.567940 0.250820 0.613420 Cr\n0.408004 0.777383 0.406666 Cr\n0.158850 0.425032 0.257330 Cr\n0.567753 0.558084 0.306540 O\n0.824398 0.786604 0.564698 O\n0.151545 0.241598 0.455389 O\n0.408202 0.470121 0.713537 O\n0.195957 0.729182 0.879086 O\n0.022866 0.184820 0.769402 O\n0.780000 0.299011 0.140999 O\n0.953090 0.843381 0.250677 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 3.6676523066005573,
"density_atomic": 0.07120690644522717,
"volume": 224.6973053422466,
"volume_molar": 8.457242507273182,
"formula_full": "Ca4 Cr4 O8",
"formula_reduced": "CaCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7627537049999995,
"spacegroup": 12
},
{
"id": "jvasp-11483",
"created_at": "2022-09-04T14:38:08.981787Z",
"updated_at": "2022-09-04T14:38:08.981810Z",
"structure_string": "Mn2 Fe4 O8\n1.0\n5.064139 0.000000 2.923782\n1.688046 4.774516 2.923782\n0.000000 0.000000 5.847564\nMn Fe O\n2 4 8\ndirect\n0.125001 0.125000 0.124999 Mn\n0.875001 0.875001 0.874998 Mn\n0.499999 0.500001 0.499999 Fe\n0.499999 0.500001 -0.000001 Fe\n0.000000 0.500001 0.499998 Fe\n0.500000 -0.000000 0.499999 Fe\n0.748987 0.748988 0.748986 O\n0.251011 0.251012 0.746963 O\n0.251014 0.746964 0.251011 O\n0.746964 0.251012 0.251010 O\n0.748988 0.253037 0.748986 O\n0.253037 0.748988 0.748986 O\n0.251011 0.251012 0.251012 O\n0.748987 0.748988 0.253035 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 5.417223288278257,
"density_atomic": 0.09901889630333584,
"volume": 141.38715460039273,
"volume_molar": 6.081809618996048,
"formula_full": "Mn2 Fe4 O8",
"formula_reduced": "Mn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.193537463054186,
"spacegroup": 227
},
{
"id": "jvasp-23048",
"created_at": "2022-09-04T14:38:08.988040Z",
"updated_at": "2022-09-04T14:38:08.988063Z",
"structure_string": "Zr4 Co7 Ge6\n1.0\n6.438301 -0.000000 -2.276284\n-3.219150 5.575732 -2.276284\n0.000000 0.000000 6.828850\nZr Co Ge\n4 7 6\ndirect\n0.500000 0.000000 0.000000 Zr\n-0.000000 0.500000 0.000000 Zr\n-0.000000 -0.000000 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.500000 0.250000 0.750000 Co\n0.000000 0.000000 0.000000 Co\n0.750000 0.250000 0.500000 Co\n0.250000 0.500000 0.750000 Co\n0.750000 0.500000 0.250001 Co\n0.500000 0.750000 0.250001 Co\n0.250000 0.750000 0.500000 Co\n0.318513 0.318513 0.000000 Ge\n0.681487 0.681487 0.000001 Ge\n0.681487 -0.000000 0.681487 Ge\n-0.000000 0.318513 0.318513 Ge\n0.318513 -0.000000 0.318513 Ge\n-0.000000 0.681487 0.681487 Ge\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Zr",
"density": 8.218361304978284,
"density_atomic": 0.0693470802238991,
"volume": 245.14370244734954,
"volume_molar": 8.684058132738208,
"formula_full": "Zr4 Co7 Ge6",
"formula_reduced": "Zr4Co7Ge6",
"formula_anonymous": "A4B6C7",
"energy_above_hull": 3.2850329411764707,
"spacegroup": 229
},
{
"id": "jvasp-18033",
"created_at": "2022-09-04T14:38:08.988252Z",
"updated_at": "2022-09-04T14:38:08.988263Z",
"structure_string": "Ti1 Zn3\n1.0\n3.921483 0.000000 -0.000000\n0.000000 3.921483 0.000000\n0.000000 0.000000 3.921483\nTi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.721329584620211,
"density_atomic": 0.06632984484161536,
"volume": 60.30467898050018,
"volume_molar": 9.079081632679634,
"formula_full": "Ti1 Zn3",
"formula_reduced": "TiZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-20641",
"created_at": "2022-09-04T14:38:08.993689Z",
"updated_at": "2022-09-04T14:38:08.993712Z",
"structure_string": "Sc2 Ir4\n1.0\n4.534842 -0.000000 2.618192\n1.511614 4.275489 2.618192\n-0.000000 0.000000 5.236384\nSc Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.874999 0.875000 0.874999 Sc\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.499999 0.500000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Ir"
],
"chemical_system": "Ir-Sc",
"density": 14.045962004056033,
"density_atomic": 0.0590978674370453,
"volume": 101.52650611955788,
"volume_molar": 10.190115178716315,
"formula_full": "Sc2 Ir4",
"formula_reduced": "ScIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2451424833333324,
"spacegroup": 227
},
{
"id": "jvasp-10118",
"created_at": "2022-09-04T14:38:08.996031Z",
"updated_at": "2022-09-04T14:38:08.996058Z",
"structure_string": "Na2 Ag2 F8\n1.0\n5.034058 -0.000000 -2.338677\n-1.086481 4.915414 -2.338677\n-0.010465 -0.013031 6.564777\nNa Ag F\n2 2 8\ndirect\n0.250001 0.250000 0.500000 Na\n0.750001 0.749999 0.500000 Na\n0.000000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.948657 0.448656 0.255889 F\n0.692768 0.192767 0.744111 F\n0.051344 0.551343 0.744110 F\n0.192767 0.051344 0.744111 F\n0.307234 0.807233 0.255889 F\n0.448657 0.307233 0.255890 F\n0.807234 0.948656 0.255889 F\n0.551345 0.692766 0.744110 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Ag",
"F"
],
"chemical_system": "Ag-F-Na",
"density": 4.237022125465346,
"density_atomic": 0.07401232341090673,
"volume": 162.13516137545867,
"volume_molar": 8.136673032902728,
"formula_full": "Na2 Ag2 F8",
"formula_reduced": "NaAgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
}
]
}