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=nelements&page=4084",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4082",
"results": [
{
"id": "jvasp-103517",
"created_at": "2022-09-04T14:36:41.528295Z",
"updated_at": "2022-09-04T14:36:41.528318Z",
"structure_string": "Ba2 Pr1 Nb1 O6\n1.0\n5.347594 -0.000000 3.087435\n1.782532 5.041760 3.087435\n-0.000000 0.000000 6.174869\nBa Pr Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.749999 Ba\n0.499999 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Nb\n0.768491 0.231508 0.231507 O\n0.231507 0.768492 0.768492 O\n0.231508 0.231508 0.768492 O\n0.768491 0.768492 0.231507 O\n0.231507 0.768492 0.231507 O\n0.768491 0.231508 0.768492 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Pr",
"density": 6.029086336200661,
"density_atomic": 0.060066407188493015,
"volume": 166.48240619118818,
"volume_molar": 10.025804841468306,
"formula_full": "Ba2 Pr1 Nb1 O6",
"formula_reduced": "Ba2PrNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.217287219,
"spacegroup": 225
},
{
"id": "jvasp-101865",
"created_at": "2022-09-04T14:36:41.707333Z",
"updated_at": "2022-09-04T14:36:41.707349Z",
"structure_string": "H12 C14 N4 O2\n1.0\n4.685640 -0.000034 -0.000231\n-2.342429 6.728804 -0.549948\n-0.000004 -0.271510 8.844526\nH C N O\n12 14 4 2\ndirect\n0.408557 0.003099 0.319140 H\n0.051671 0.676319 0.681758 H\n0.760830 0.948682 0.130739 H\n0.227197 0.209761 0.059731 H\n0.329943 0.415262 0.252768 H\n0.094513 0.003120 0.819149 H\n0.717988 0.621881 0.993350 H\n0.687879 0.948698 0.630737 H\n0.403933 0.621895 0.493355 H\n0.482554 0.209755 0.559722 H\n0.585332 0.415261 0.752746 H\n0.124612 0.676299 0.181764 H\n0.578791 0.705081 0.956099 C\n0.206091 0.734015 0.780252 C\n0.233711 0.919919 0.856400 C\n0.655480 0.312492 0.156259 C\n0.380753 0.624516 0.829492 C\n0.431753 0.000487 0.983006 C\n0.606410 0.890985 0.032247 C\n0.743770 0.624514 0.329500 C\n0.186180 0.919907 0.356398 C\n0.157018 0.312499 0.656254 C\n0.068727 0.000485 0.483001 C\n0.626315 0.705090 0.456103 C\n0.784591 0.890994 0.532246 C\n0.027905 0.734002 0.280256 C\n0.383795 0.442836 0.751078 N\n0.253443 0.182176 0.561403 N\n0.559052 0.442831 0.251093 N\n0.428725 0.182177 0.061410 N\n0.889377 0.312480 0.656273 O\n0.923104 0.312476 0.156277 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6015233576478616,
"density_atomic": 0.11504319853087143,
"volume": 278.1563830686863,
"volume_molar": 5.234677787912843,
"formula_full": "H12 C14 N4 O2",
"formula_reduced": "H6C7N2O",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.479195624999999,
"spacegroup": 15
},
{
"id": "jvasp-27714",
"created_at": "2022-09-04T14:36:59.919641Z",
"updated_at": "2022-09-04T14:36:59.919667Z",
"structure_string": "Mg2 Mn2 Ge4 O12\n1.0\n5.160757 -0.235039 0.900311\n1.045920 6.601814 0.573197\n-0.327658 -0.088912 6.700089\nMg Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.272505 0.727495 Mg\n0.250000 0.727495 0.272505 Mg\n0.750001 0.906036 0.093964 Mn\n0.250000 0.093964 0.906037 Mn\n0.787453 0.396634 0.207826 Ge\n0.712548 0.792173 0.603366 Ge\n0.212548 0.603366 0.792174 Ge\n0.287452 0.207826 0.396634 Ge\n0.638363 0.976992 0.785503 O\n0.861637 0.214498 0.023007 O\n0.611087 0.624066 0.146132 O\n0.888913 0.853868 0.375934 O\n0.388913 0.375934 0.853869 O\n0.899422 0.567553 0.709637 O\n0.100578 0.432447 0.290364 O\n0.399422 0.709636 0.567554 O\n0.138363 0.785502 0.976993 O\n0.600578 0.290363 0.432447 O\n0.111087 0.146132 0.624066 O\n0.361637 0.023007 0.214498 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-Mn-O",
"density": 4.58640554769888,
"density_atomic": 0.08617255592787022,
"volume": 232.09245431620687,
"volume_molar": 6.988467146130336,
"formula_full": "Mg2 Mn2 Ge4 O12",
"formula_reduced": "MgMn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.132334919137931,
"spacegroup": 15
},
{
"id": "jvasp-103937",
"created_at": "2022-09-04T14:36:50.612858Z",
"updated_at": "2022-09-04T14:36:50.612877Z",
"structure_string": "Zn1 H20 C12 O4\n1.0\n4.242405 0.114887 0.308543\n2.102713 4.578030 0.275099\n-0.402718 0.731882 15.861889\nZn H C O\n1 20 12 4\ndirect\n0.243696 0.915765 0.858967 Zn\n0.230470 0.361237 0.511937 H\n0.366660 0.517313 0.648532 H\n0.632880 0.547295 0.074926 H\n0.116952 0.426593 0.185895 H\n0.550132 0.315636 0.218592 H\n0.106263 0.182206 0.351063 H\n0.566379 0.032795 0.354577 H\n0.213255 0.866577 0.506003 H\n0.668096 0.710666 0.486164 H\n0.245067 0.598330 0.026889 H\n0.813442 0.362871 0.618954 H\n0.369171 0.073872 0.066260 H\n0.793008 -0.008493 0.100519 H\n0.166477 0.925008 0.215727 H\n0.625193 0.772641 0.224391 H\n0.131699 0.680299 0.369093 H\n0.588584 0.514498 0.353197 H\n0.365994 0.022346 0.651153 H\n0.812496 0.860323 0.616153 H\n0.678813 0.204715 0.484858 H\n0.720757 0.351021 0.958946 C\n0.514178 0.431736 0.041230 C\n0.521177 0.166365 0.096924 C\n0.382541 0.239760 0.186927 C\n0.379125 -0.030649 0.238009 C\n0.350413 0.990127 0.333818 C\n0.568186 0.342629 0.612418 C\n0.430367 0.682469 0.475869 C\n0.473223 0.385265 0.518895 C\n0.614732 0.037682 0.652027 C\n0.732636 -0.003404 0.742388 C\n0.370610 0.705165 0.380767 C\n0.654122 0.536746 0.895422 O\n0.511593 0.116247 0.801010 O\n0.063106 -0.144874 0.755105 O\n0.976379 0.089310 0.958977 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.602070701199323,
"density_atomic": 0.12154567958766858,
"volume": 304.4123010008974,
"volume_molar": 4.954631691088901,
"formula_full": "Zn1 H20 C12 O4",
"formula_reduced": "ZnH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.606704443243244,
"spacegroup": 1
},
{
"id": "jvasp-105072",
"created_at": "2022-09-04T14:36:50.615070Z",
"updated_at": "2022-09-04T14:36:50.615091Z",
"structure_string": "Rb2 Li1 Tb1 Cl6\n1.0\n6.311053 -0.000000 3.643688\n2.103684 5.950118 3.643688\n-0.000000 -0.000000 7.287377\nTb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Li\n0.744948 0.255051 0.255052 Cl\n0.255051 0.255051 0.744950 Cl\n0.255050 0.744949 0.744950 Cl\n0.255050 0.744949 0.255052 Cl\n0.744948 0.255051 0.744950 Cl\n0.744948 0.744949 0.255052 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Rb",
"Li",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Tb",
"density": 3.3345245392794,
"density_atomic": 0.03654276091369249,
"volume": 273.6520106846394,
"volume_molar": 16.479709275999227,
"formula_full": "Rb2 Li1 Tb1 Cl6",
"formula_reduced": "Rb2LiTbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107060",
"created_at": "2022-09-04T14:36:50.649253Z",
"updated_at": "2022-09-04T14:36:50.649269Z",
"structure_string": "In2 Cu2 Se2 S2\n1.0\n5.226074 0.010512 -4.703961\n-1.015624 5.116680 -4.714584\n-0.020022 -0.010512 7.031266\nIn Cu Se S\n2 2 2 2\ndirect\n0.376936 0.626935 0.750001 In\n0.123065 0.873065 0.250001 In\n0.890289 0.140289 0.750000 Cu\n0.609711 0.359711 0.250000 Cu\n0.539214 0.750000 0.289215 Se\n0.960786 0.250000 0.210786 Se\n0.250000 0.023674 0.773674 S\n0.750000 0.476326 0.726327 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Cu",
"Se",
"S"
],
"chemical_system": "Cu-In-S-Se",
"density": 5.131196299297448,
"density_atomic": 0.04271176360157294,
"volume": 187.30202935720936,
"volume_molar": 14.09948981778459,
"formula_full": "In2 Cu2 Se2 S2",
"formula_reduced": "InCuSeS",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.4699034466666666,
"spacegroup": 24
},
{
"id": "jvasp-101153",
"created_at": "2022-09-04T14:36:41.702581Z",
"updated_at": "2022-09-04T14:36:41.702598Z",
"structure_string": "Mn1 Cu1 Ag2 O4\n1.0\n2.907658 0.000000 0.000000\n-0.000000 5.197120 1.576250\n-0.000000 0.157408 6.465660\nMn Cu Ag O\n1 1 2 4\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.369881 0.351584 O\n0.000000 0.946885 0.327773 O\n0.500000 0.630120 0.648416 O\n0.000000 0.053115 0.672226 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Cu-Mn-O",
"density": 6.818199685215353,
"density_atomic": 0.08248779032269933,
"volume": 96.98405022977718,
"volume_molar": 7.300645024482856,
"formula_full": "Mn1 Cu1 Ag2 O4",
"formula_reduced": "MnCu(AgO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7580670264224136,
"spacegroup": 10
},
{
"id": "jvasp-49402",
"created_at": "2022-09-04T14:37:00.443637Z",
"updated_at": "2022-09-04T14:37:00.443656Z",
"structure_string": "Zn4 Hg4 O2 F12\n1.0\n6.465389 0.000000 3.732794\n2.155129 6.095627 3.732794\n0.000000 0.000000 7.465589\nZn Hg O F\n4 4 2 12\ndirect\n0.000000 0.000000 0.000000 Zn\n-0.000000 -0.000000 0.500000 Zn\n0.500000 -0.000000 -0.000000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.500000 0.500000 0.499999 Hg\n-0.000000 0.500000 0.500000 Hg\n0.500000 -0.000000 0.500000 Hg\n0.500000 0.500000 -0.000001 Hg\n0.625000 0.625000 0.624999 O\n0.375000 0.375000 0.375000 O\n0.674518 0.674518 0.075481 F\n0.325482 0.924518 0.325481 F\n0.674518 0.075482 0.075482 F\n0.674518 0.075482 0.674518 F\n0.075482 0.674518 0.075481 F\n0.325482 0.325482 0.924518 F\n0.924518 0.924518 0.325481 F\n0.924518 0.325482 0.924517 F\n0.075482 0.674518 0.674518 F\n0.325482 0.924518 0.924517 F\n0.924518 0.325482 0.325481 F\n0.075482 0.075482 0.674518 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O-Zn",
"density": 7.472259919094076,
"density_atomic": 0.0747731298255972,
"volume": 294.2233400061409,
"volume_molar": 8.053883492701454,
"formula_full": "Zn4 Hg4 O2 F12",
"formula_reduced": "Zn2Hg2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-104732",
"created_at": "2022-09-04T14:36:50.472935Z",
"updated_at": "2022-09-04T14:36:50.472967Z",
"structure_string": "K1 Ti1 O2 F1\n1.0\n3.866977 -0.000000 0.000000\n0.000000 3.866977 0.000000\n0.000000 0.000000 4.147090\nK Ti O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 F\n",
"nsites": 5,
"nelements": 4,
"elements": [
"K",
"Ti",
"O",
"F"
],
"chemical_system": "F-K-O-Ti",
"density": 3.6942265449376737,
"density_atomic": 0.08062753191851073,
"volume": 62.01355642454043,
"volume_molar": 7.4690873163356954,
"formula_full": "K1 Ti1 O2 F1",
"formula_reduced": "KTiO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0043347231666668,
"spacegroup": 123
},
{
"id": "jvasp-107524",
"created_at": "2022-09-04T14:36:59.153725Z",
"updated_at": "2022-09-04T14:36:59.153760Z",
"structure_string": "Sr2 Cu1 C1 O5\n1.0\n3.682056 -0.000000 0.000000\n0.000000 4.316407 0.000000\n-0.000000 -0.000000 7.476226\nSr Cu C O\n2 1 1 5\ndirect\n0.500000 0.508329 0.771755 Sr\n0.500000 0.508329 0.228245 Sr\n-0.000000 0.004467 -0.000000 Cu\n-0.000000 0.971489 0.500000 C\n0.500000 0.029329 -0.000000 O\n-0.000000 0.525628 -0.000000 O\n-0.000000 0.669149 0.500000 O\n-0.000000 0.112641 0.346940 O\n-0.000000 0.112641 0.653061 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O-Sr",
"density": 4.622864120632741,
"density_atomic": 0.07574383856942336,
"volume": 118.82154601593116,
"volume_molar": 7.95066750476394,
"formula_full": "Sr2 Cu1 C1 O5",
"formula_reduced": "Sr2CuCO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.937035618888889,
"spacegroup": 25
},
{
"id": "jvasp-104972",
"created_at": "2022-09-04T14:36:50.917789Z",
"updated_at": "2022-09-04T14:36:50.917812Z",
"structure_string": "Ba2 V2 Se4 S2\n1.0\n6.941744 0.004384 0.000000\n-3.524913 5.980202 0.000000\n-0.000000 -0.000000 5.857392\nBa V Se S\n2 2 4 2\ndirect\n0.334290 0.665709 -0.000000 Ba\n0.666218 0.333781 0.500000 Ba\n0.994795 0.005203 0.255879 V\n0.994795 0.005203 0.744121 V\n0.172952 0.827047 0.500000 Se\n0.335327 0.171943 -0.000000 Se\n0.828056 0.664672 -0.000000 Se\n0.827967 0.172031 -0.000000 Se\n0.681244 0.834733 0.500000 S\n0.165266 0.318756 0.500000 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"V",
"Se",
"S"
],
"chemical_system": "Ba-S-Se-V",
"density": 5.1643025241812595,
"density_atomic": 0.0411102035256652,
"volume": 243.24861329759597,
"volume_molar": 14.648773889529306,
"formula_full": "Ba2 V2 Se4 S2",
"formula_reduced": "BaVSe2S",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.597925380666667,
"spacegroup": 38
},
{
"id": "jvasp-101902",
"created_at": "2022-09-04T14:36:41.644683Z",
"updated_at": "2022-09-04T14:36:41.644705Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.972551 0.128883 0.183689\n1.214998 4.136928 0.643123\n0.065704 -0.293237 7.229982\nZn H C O\n1 4 4 4\ndirect\n0.700928 0.843129 0.273233 Zn\n-0.002062 0.558253 0.675815 H\n0.170049 0.123399 0.721430 H\n0.512718 0.614511 0.836291 H\n0.677744 0.182157 0.887899 H\n0.464700 0.336394 0.520969 C\n0.238270 0.349741 0.696996 C\n0.439000 0.391247 0.864558 C\n0.210124 0.421260 0.039859 C\n0.402046 0.595970 0.410294 O\n0.704547 0.069253 0.494705 O\n0.255673 0.187735 0.166367 O\n0.965692 0.695382 0.049766 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.54683841504409,
"density_atomic": 0.10986619913478857,
"volume": 118.3257462474973,
"volume_molar": 5.481340764880543,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.958384184615385,
"spacegroup": 1
}
]
}