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=volume&page=3418",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3416",
"results": [
{
"id": "jvasp-14342",
"created_at": "2022-09-04T14:36:57.544958Z",
"updated_at": "2022-09-04T14:36:57.544966Z",
"structure_string": "Te4 Au2 Cl2\n1.0\n4.091898 0.000000 0.000000\n-2.045949 6.111434 -0.000000\n0.000000 -0.000000 8.786088\nTe Au Cl\n4 2 2\ndirect\n0.610257 0.220516 0.951938 Te\n0.389742 0.779484 0.048062 Te\n0.389742 0.779484 0.451938 Te\n0.610257 0.220516 0.548062 Te\n0.910105 0.820209 0.250000 Au\n0.089895 0.179790 0.750000 Au\n0.165153 0.330305 0.250000 Cl\n0.834847 0.669694 0.750000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Te",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Te",
"density": 7.370496516230265,
"density_atomic": 0.036410489101734306,
"volume": 219.71690568745873,
"volume_molar": 16.53957666751901,
"formula_full": "Te4 Au2 Cl2",
"formula_reduced": "Te2AuCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5193467927083334,
"spacegroup": 63
},
{
"id": "jvasp-26813",
"created_at": "2022-09-04T14:38:27.223647Z",
"updated_at": "2022-09-04T14:38:27.223675Z",
"structure_string": "Na1 Zr2 Fe1 F11\n1.0\n5.340992 0.014318 2.029022\n1.010698 5.244510 2.029022\n0.002353 0.001948 7.849986\nNa Zr Fe F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.505337 0.505338 0.764981 Zr\n0.494663 0.494663 0.235019 Zr\n-0.000000 0.000000 0.500000 Fe\n0.812242 0.223265 0.689107 F\n0.776736 0.187758 0.310893 F\n0.187758 0.776736 0.310893 F\n0.223264 0.812243 0.689107 F\n0.500000 0.500000 0.500000 F\n0.328601 0.671399 -0.000000 F\n0.671399 0.328601 -0.000000 F\n0.247094 0.247095 0.348628 F\n0.752905 0.752906 0.651372 F\n0.266243 0.266244 0.891918 F\n0.733756 0.733756 0.108081 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Na-Zr",
"density": 3.553888655455274,
"density_atomic": 0.06826579193621296,
"volume": 219.7293779879663,
"volume_molar": 8.82160828900519,
"formula_full": "Na1 Zr2 Fe1 F11",
"formula_reduced": "NaZr2FeF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.5777864405000006,
"spacegroup": 12
},
{
"id": "jvasp-91321",
"created_at": "2022-09-04T14:36:31.093888Z",
"updated_at": "2022-09-04T14:36:31.093913Z",
"structure_string": "Ba2 Y2 Co4 O10\n1.0\n3.862164 0.000000 0.000000\n0.000000 7.366521 -0.000000\n0.000000 0.000000 7.723753\nBa Y Co O\n2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.733179 0.750000 Co\n0.500000 0.266822 0.250000 Co\n0.500000 0.733216 0.250000 Co\n0.500000 0.266783 0.750000 Co\n0.500000 -0.000030 0.750000 O\n0.500000 0.692395 0.499997 O\n0.000000 0.307545 0.750000 O\n0.000000 0.307610 0.250000 O\n0.000000 0.692390 0.750000 O\n0.500000 0.307605 -0.000003 O\n0.500000 0.692395 0.000003 O\n0.500000 0.307605 0.500003 O\n0.000000 0.692454 0.250000 O\n0.500000 0.000031 0.250000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Y",
"density": 6.409468177596965,
"density_atomic": 0.08191265175567612,
"volume": 219.74627379527723,
"volume_molar": 7.351905512670327,
"formula_full": "Ba2 Y2 Co4 O10",
"formula_reduced": "BaYCo2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.548767857777778,
"spacegroup": 123
},
{
"id": "jvasp-106590",
"created_at": "2022-09-04T14:36:58.287732Z",
"updated_at": "2022-09-04T14:36:58.287764Z",
"structure_string": "Pu6 Th2\n1.0\n6.815918 -0.000000 0.000000\n-3.407959 5.902759 0.000000\n-0.000000 -0.000000 5.462491\nPu Th\n6 2\ndirect\n0.162687 0.325375 0.250000 Pu\n0.674625 0.837313 0.250000 Pu\n0.162687 0.837313 0.250000 Pu\n0.837313 0.674625 0.750000 Pu\n0.325375 0.162687 0.750000 Pu\n0.837313 0.162687 0.750000 Pu\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Th"
],
"chemical_system": "Pu-Th",
"density": 14.568107240881233,
"density_atomic": 0.03640154723421606,
"volume": 219.77087810378308,
"volume_molar": 16.543639536122296,
"formula_full": "Pu6 Th2",
"formula_reduced": "Pu3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 6.8039339,
"spacegroup": 194
},
{
"id": "jvasp-107317",
"created_at": "2022-09-04T14:37:02.060769Z",
"updated_at": "2022-09-04T14:37:02.060786Z",
"structure_string": "Mg6 Sn2 Ge1\n1.0\n4.699202 -0.000000 0.000000\n-2.349601 4.069629 0.000000\n-0.000000 -0.000000 11.491887\nMg Sn Ge\n6 2 1\ndirect\n0.000000 0.000000 0.239812 Mg\n0.333333 0.666667 0.924301 Mg\n0.666666 0.333333 0.584706 Mg\n0.666666 0.333333 0.075700 Mg\n0.000000 0.000000 0.760188 Mg\n0.333333 0.666667 0.415294 Mg\n0.333333 0.666667 0.670745 Sn\n0.666666 0.333333 0.329255 Sn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"Ge"
],
"chemical_system": "Ge-Mg-Sn",
"density": 3.4446006812590895,
"density_atomic": 0.04095172772934807,
"volume": 219.77094738179136,
"volume_molar": 14.7054620010189,
"formula_full": "Mg6 Sn2 Ge1",
"formula_reduced": "Mg6Sn2Ge",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-52540",
"created_at": "2022-09-04T14:38:12.114513Z",
"updated_at": "2022-09-04T14:38:12.114540Z",
"structure_string": "Na4 Dy4 O8\n1.0\n4.979387 6.629225 0.024751\n-4.979387 6.629225 -0.024751\n-5.050230 0.000000 3.304084\nNa Dy O\n4 4 8\ndirect\n0.694343 0.694344 0.749999 Na\n0.930285 0.930286 0.749999 Na\n0.069715 0.069715 0.250000 Na\n0.305657 0.305657 0.250000 Na\n0.182668 0.182669 0.749999 Dy\n0.443227 0.443228 0.749999 Dy\n0.817332 0.817332 0.250000 Dy\n0.556773 0.556774 0.250000 Dy\n0.206881 0.669261 0.749215 O\n0.438853 0.934460 0.794064 O\n0.330740 0.793119 0.249216 O\n0.065541 0.561147 0.294064 O\n0.934459 0.438854 0.705934 O\n0.669260 0.206882 0.750783 O\n0.561147 0.065542 0.205935 O\n0.793119 0.330740 0.250784 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Dy",
"O"
],
"chemical_system": "Dy-Na-O",
"density": 6.572622370300289,
"density_atomic": 0.07279694233308191,
"volume": 219.78945113919906,
"volume_molar": 8.272518827021244,
"formula_full": "Na4 Dy4 O8",
"formula_reduced": "NaDyO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.617088125,
"spacegroup": 15
},
{
"id": "jvasp-51357",
"created_at": "2022-09-04T14:37:05.490773Z",
"updated_at": "2022-09-04T14:37:05.490792Z",
"structure_string": "Yb4 S6\n1.0\n2.996746 3.720932 8.599055\n-2.470486 3.210859 3.980480\n-3.237267 -6.366314 -1.744018\nYb S\n4 6\ndirect\n0.165725 0.192994 0.732220 Yb\n0.834273 0.807007 0.267779 Yb\n0.433503 0.693001 0.267784 Yb\n0.566496 0.307000 0.732216 Yb\n0.567654 0.828311 0.757370 S\n0.884340 0.250001 0.768679 S\n0.189718 0.671690 0.757375 S\n0.432345 0.171690 0.242629 S\n0.115659 0.750000 0.231320 S\n0.810281 0.328311 0.242625 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.682360575636431,
"density_atomic": 0.04549445029615515,
"volume": 219.80702997625022,
"volume_molar": 13.237088745545183,
"formula_full": "Yb4 S6",
"formula_reduced": "Yb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.204292,
"spacegroup": 15
},
{
"id": "jvasp-58508",
"created_at": "2022-09-04T14:37:27.964678Z",
"updated_at": "2022-09-04T14:37:27.964704Z",
"structure_string": "Ba2 Tl2 Cu2 O8\n1.0\n3.686763 -0.000000 -0.477857\n-0.061937 3.686243 -0.477857\n0.214767 0.218406 16.117957\nBa Tl Cu O\n2 2 2 8\ndirect\n0.117802 0.117802 0.235604 Ba\n0.882197 0.882198 0.764396 Ba\n0.287418 0.287419 0.574836 Tl\n0.712581 0.712582 0.425164 Tl\n0.544151 0.544151 0.088303 Cu\n0.455849 0.455849 0.911697 Cu\n0.778491 0.778492 0.556983 O\n0.943231 0.443232 0.886463 O\n0.556769 0.056769 0.113537 O\n0.649053 0.649053 0.298106 O\n0.056769 0.556769 0.113537 O\n0.443230 0.943231 0.886463 O\n0.350946 0.350947 0.701894 O\n0.221508 0.221509 0.443018 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Tl",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Tl",
"density": 7.089649026123571,
"density_atomic": 0.06368919911448206,
"volume": 219.81749173568411,
"volume_molar": 9.455513405303046,
"formula_full": "Ba2 Tl2 Cu2 O8",
"formula_reduced": "BaTlCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.1814532885714284,
"spacegroup": 139
},
{
"id": "jvasp-118660",
"created_at": "2022-09-04T14:38:53.402273Z",
"updated_at": "2022-09-04T14:38:53.402303Z",
"structure_string": "Na1 Al1 Te1\n1.0\n5.153090 0.000000 0.000000\n0.000000 5.153090 -0.000000\n0.000000 0.000000 8.278497\nNa Al Te\n1 1 1\ndirect\n0.000000 0.000000 0.356107 Na\n0.000000 0.000000 -0.005847 Al\n0.000000 0.000000 0.702107 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Al",
"Te"
],
"chemical_system": "Al-Na-Te",
"density": 1.3413278439905973,
"density_atomic": 0.01364690925755122,
"volume": 219.82999545043617,
"volume_molar": 44.12823919575621,
"formula_full": "Na1 Al1 Te1",
"formula_reduced": "NaAlTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6471865222222223,
"spacegroup": 99
},
{
"id": "jvasp-113047",
"created_at": "2022-09-04T14:38:46.119443Z",
"updated_at": "2022-09-04T14:38:46.119465Z",
"structure_string": "Zr8 Co3 Cu1\n1.0\n5.297411 -0.050720 0.000000\n-2.558294 4.638994 0.000000\n-0.000000 -0.000000 8.992955\nZr Co Cu\n8 3 1\ndirect\n0.000000 0.500000 0.915743 Zr\n0.500000 0.000000 0.416139 Zr\n0.000000 0.500000 0.583862 Zr\n0.500000 0.000000 0.084257 Zr\n0.331995 0.162195 0.742637 Zr\n0.837805 0.668005 0.257364 Zr\n0.668005 0.837804 0.742637 Zr\n0.162195 0.331995 0.257364 Zr\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Zr",
"density": 7.328105645809288,
"density_atomic": 0.0545871650382022,
"volume": 219.83189622692328,
"volume_molar": 11.032155188468709,
"formula_full": "Zr8 Co3 Cu1",
"formula_reduced": "Zr8Co3Cu",
"formula_anonymous": "AB3C8",
"energy_above_hull": 4.444700762500001,
"spacegroup": 21
},
{
"id": "jvasp-107330",
"created_at": "2022-09-04T14:36:32.639840Z",
"updated_at": "2022-09-04T14:36:32.639866Z",
"structure_string": "In1 Sn3 Se4\n1.0\n4.258484 -0.000000 0.000000\n0.000000 4.258629 0.054844\n0.000000 -0.153382 12.120846\nIn Sn Se\n1 3 4\ndirect\n-0.000000 0.749862 0.375010 In\n-0.000000 0.749904 0.875011 Sn\n0.500000 0.249956 0.624462 Sn\n0.500000 0.249996 0.125483 Sn\n-0.000000 0.750012 0.125172 Se\n-0.000000 0.750311 0.624864 Se\n0.500000 0.250057 0.874995 Se\n0.500000 0.249905 0.375002 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Sn",
"Se"
],
"chemical_system": "In-Se-Sn",
"density": 5.942624572993387,
"density_atomic": 0.036388274020212205,
"volume": 219.8510431013113,
"volume_molar": 16.549674097361542,
"formula_full": "In1 Sn3 Se4",
"formula_reduced": "InSn3Se4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8600898170833334,
"spacegroup": 123
},
{
"id": "jvasp-21747",
"created_at": "2022-09-04T14:37:38.303528Z",
"updated_at": "2022-09-04T14:37:38.303557Z",
"structure_string": "Pr4 Cd2 Ni4\n1.0\n7.561040 0.000000 0.000000\n-0.000000 7.561040 0.000000\n-0.000000 0.000000 3.845630\nPr Cd Ni\n4 2 4\ndirect\n0.322169 0.822169 0.500000 Pr\n0.822169 0.677831 0.500000 Pr\n0.177831 0.322169 0.500000 Pr\n0.677831 0.177831 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.383571 0.116429 0.000000 Ni\n0.883571 0.383571 0.000000 Ni\n0.116429 0.616429 0.000000 Ni\n0.616429 0.883571 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Ni"
],
"chemical_system": "Cd-Ni-Pr",
"density": 7.7284104844770205,
"density_atomic": 0.045485129099180795,
"volume": 219.8520746900574,
"volume_molar": 13.23980140161559,
"formula_full": "Pr4 Cd2 Ni4",
"formula_reduced": "Pr2CdNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6753488500000003,
"spacegroup": 127
}
]
}