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=1200",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1198",
"results": [
{
"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-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-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-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-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-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-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-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-9496",
"created_at": "2022-09-04T14:38:08.961775Z",
"updated_at": "2022-09-04T14:38:08.961798Z",
"structure_string": "Sr4 Mn2 S2 O6\n1.0\n3.953105 0.000000 0.000000\n0.000000 3.953105 0.000000\n0.000000 0.000000 13.539180\nSr Mn S O\n4 2 2 6\ndirect\n0.500001 0.000000 0.138175 Sr\n0.000000 0.500001 0.861825 Sr\n0.500001 0.000000 0.400362 Sr\n0.000000 0.500001 0.599638 Sr\n0.000000 0.500001 0.276707 Mn\n0.500001 0.000000 0.723293 Mn\n0.000000 0.500001 0.092652 S\n0.500001 0.000000 0.907348 S\n0.500001 0.500001 0.272593 O\n0.000000 0.000000 0.272593 O\n0.000000 0.000000 0.727407 O\n0.500001 0.500001 0.727407 O\n0.000000 0.500001 0.416378 O\n0.500001 0.000000 0.583622 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"S",
"O"
],
"chemical_system": "Mn-O-S-Sr",
"density": 4.8697825109408015,
"density_atomic": 0.06616967074485681,
"volume": 211.57729579738285,
"volume_molar": 9.101058977942827,
"formula_full": "Sr4 Mn2 S2 O6",
"formula_reduced": "Sr2MnSO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.65271576591133,
"spacegroup": 129
},
{
"id": "jvasp-109168",
"created_at": "2022-09-04T14:38:08.956878Z",
"updated_at": "2022-09-04T14:38:08.956908Z",
"structure_string": "La1 Mn1 Fe1 Si2\n1.0\n3.776199 -0.026825 -4.503857\n-0.520038 3.740315 -4.503857\n0.023521 0.026825 5.877402\nLa Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750001 0.499999 Mn\n0.750000 0.250001 0.500000 Fe\n0.636054 0.636056 0.000001 Si\n0.363946 0.363947 0.000000 Si\n",
"nsites": 5,
"nelements": 4,
"elements": [
"La",
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-La-Mn-Si",
"density": 6.057175824740639,
"density_atomic": 0.059630587979685616,
"volume": 83.84958407090255,
"volume_molar": 10.09907995884858,
"formula_full": "La1 Mn1 Fe1 Si2",
"formula_reduced": "LaMnFeSi2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.258312988275862,
"spacegroup": 119
},
{
"id": "jvasp-109811",
"created_at": "2022-09-04T14:38:08.956158Z",
"updated_at": "2022-09-04T14:38:08.956181Z",
"structure_string": "Ba1 La1 Co2 O6\n1.0\n3.898072 -0.000000 0.000000\n0.000000 3.898072 0.000000\n0.000000 0.000000 7.697116\nBa La Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500001 Ba\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.749349 Co\n0.499999 0.499999 0.250651 Co\n0.499999 0.499999 0.500001 O\n0.499999 0.000000 0.770309 O\n-0.000000 0.499999 0.770309 O\n0.499999 0.000000 0.229692 O\n0.499999 0.499999 -0.000000 O\n-0.000000 0.499999 0.229692 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Co",
"O"
],
"chemical_system": "Ba-Co-La-O",
"density": 6.95827926573206,
"density_atomic": 0.08550120888765367,
"volume": 116.95741066234204,
"volume_molar": 7.043339899337486,
"formula_full": "Ba1 La1 Co2 O6",
"formula_reduced": "BaLa(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.494988377,
"spacegroup": 123
},
{
"id": "jvasp-33847",
"created_at": "2022-09-04T14:38:08.944425Z",
"updated_at": "2022-09-04T14:38:08.944451Z",
"structure_string": "Sm2 I6\n1.0\n10.491673 -0.000000 -0.000000\n-5.245835 9.086055 0.000000\n0.000000 -0.000000 4.071569\nSm I\n2 6\ndirect\n0.333334 0.666668 0.750000 Sm\n0.666667 0.333333 0.249999 Sm\n0.204525 0.409052 0.249999 I\n0.590948 0.795475 0.249999 I\n0.204525 0.795475 0.249999 I\n0.795474 0.590949 0.750000 I\n0.409052 0.204526 0.750000 I\n0.795474 0.204526 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"I"
],
"chemical_system": "I-Sm",
"density": 4.5441404282508255,
"density_atomic": 0.02061142793919211,
"volume": 388.13419543767765,
"volume_molar": 29.217484483688057,
"formula_full": "Sm2 I6",
"formula_reduced": "SmI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}