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=1072",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1070",
"results": [
{
"id": "jvasp-22430",
"created_at": "2022-09-04T14:37:53.113687Z",
"updated_at": "2022-09-04T14:37:53.113697Z",
"structure_string": "Nd2 B8 Ir8\n1.0\n7.739916 0.000000 0.000000\n-0.000000 7.739916 -0.000000\n0.000000 0.000000 3.973823\nNd B Ir\n2 8 8\ndirect\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.777215 0.342336 0.392353 B\n0.842337 0.722786 0.892353 B\n0.342336 0.222786 0.607646 B\n0.222786 0.657664 0.392353 B\n0.277214 0.842337 0.107647 B\n0.157664 0.277214 0.892353 B\n0.657664 0.777215 0.607646 B\n0.722786 0.157664 0.107647 B\n0.891998 0.338851 0.891639 Ir\n0.338851 0.108003 0.108360 Ir\n0.661149 0.891998 0.108360 Ir\n0.608003 0.161149 0.608360 Ir\n0.108003 0.661149 0.891639 Ir\n0.161149 0.391997 0.391640 Ir\n0.838851 0.608003 0.391640 Ir\n0.391997 0.838851 0.608360 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"B",
"Ir"
],
"chemical_system": "B-Ir-Nd",
"density": 13.341871636533119,
"density_atomic": 0.07561213329200073,
"volume": 238.05703154131592,
"volume_molar": 7.964516404719802,
"formula_full": "Nd2 B8 Ir8",
"formula_reduced": "Nd(BIr)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.942078470370369,
"spacegroup": 86
},
{
"id": "jvasp-26716",
"created_at": "2022-09-04T14:37:43.929167Z",
"updated_at": "2022-09-04T14:37:43.929174Z",
"structure_string": "Na4 Ti5 O12\n1.0\n2.676307 -4.635499 -0.000000\n2.676307 4.635499 0.000000\n0.000000 0.000000 9.594325\nNa Ti O\n4 5 12\ndirect\n0.666668 0.333334 0.388993 Na\n0.333334 0.666668 0.594365 Na\n0.000000 0.000000 0.803626 Na\n0.000000 0.000000 0.179827 Na\n0.333334 0.666668 0.963134 Ti\n0.000000 0.000000 0.491721 Ti\n0.333334 0.666668 0.274261 Ti\n0.666668 0.333334 0.020291 Ti\n0.666668 0.333334 0.709166 Ti\n0.332043 0.236261 0.613023 O\n0.572364 0.984226 0.114181 O\n0.095786 0.332047 0.370413 O\n0.667954 0.763741 0.370413 O\n0.015775 0.588138 0.114181 O\n0.588156 0.572374 0.869253 O\n0.763740 0.095783 0.613023 O\n0.984219 0.411846 0.869253 O\n0.411863 0.427638 0.114181 O\n0.427627 0.015782 0.869253 O\n0.904218 0.667959 0.613023 O\n0.236261 0.904215 0.370413 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 3.6501616510425334,
"density_atomic": 0.08821500266662374,
"volume": 238.0547453970137,
"volume_molar": 6.82666278746085,
"formula_full": "Na4 Ti5 O12",
"formula_reduced": "Na4Ti5O12",
"formula_anonymous": "A4B5C12",
"energy_above_hull": 2.5908237936507934,
"spacegroup": 147
},
{
"id": "jvasp-66312",
"created_at": "2022-09-04T14:36:11.217917Z",
"updated_at": "2022-09-04T14:36:11.217942Z",
"structure_string": "Ba4 Ni1 Pb1\n1.0\n0.000000 4.918828 4.918828\n4.918828 0.000000 4.918828\n4.918828 4.918828 -0.000000\nBa Ni Pb\n4 1 1\ndirect\n0.124790 0.625071 0.625071 Ba\n0.625071 0.625071 0.625071 Ba\n0.625071 0.124790 0.625071 Ba\n0.625071 0.625071 0.124790 Ba\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pb"
],
"chemical_system": "Ba-Ni-Pb",
"density": 5.687207958764123,
"density_atomic": 0.02520788129478601,
"volume": 238.02079714018006,
"volume_molar": 23.889912403092833,
"formula_full": "Ba4 Ni1 Pb1",
"formula_reduced": "Ba4NiPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1464145166666666,
"spacegroup": 216
},
{
"id": "jvasp-107191",
"created_at": "2022-09-04T14:38:47.054799Z",
"updated_at": "2022-09-04T14:38:47.054826Z",
"structure_string": "Lu6 Th2\n1.0\n7.007651 -0.000000 0.000000\n-3.503825 6.068804 0.000000\n-0.000000 0.000000 5.596733\nLu Th\n6 2\ndirect\n0.166072 0.332145 0.250000 Lu\n0.667854 0.833927 0.250000 Lu\n0.166072 0.833927 0.250000 Lu\n0.833926 0.667854 0.750000 Lu\n0.332145 0.166073 0.750000 Lu\n0.833927 0.166073 0.750000 Lu\n0.333333 0.666666 0.750000 Th\n0.666666 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Th"
],
"chemical_system": "Lu-Th",
"density": 10.56160314228664,
"density_atomic": 0.03361087525121954,
"volume": 238.01819917527223,
"volume_molar": 17.917238735940067,
"formula_full": "Lu6 Th2",
"formula_reduced": "Lu3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8465807125000004,
"spacegroup": 194
},
{
"id": "jvasp-112692",
"created_at": "2022-09-04T14:38:42.979320Z",
"updated_at": "2022-09-04T14:38:42.979349Z",
"structure_string": "Ce1 Y1 Co17\n1.0\n6.194128 0.000477 0.762143\n0.674171 6.157331 0.762143\n0.000531 0.000477 6.240840\nCe Y Co\n1 1 17\ndirect\n0.653142 0.653143 0.653142 Ce\n0.342171 0.342172 0.342171 Y\n0.004598 0.498560 0.004598 Co\n0.498560 0.004598 0.004598 Co\n0.004598 0.004598 0.498560 Co\n0.654174 0.143633 0.654174 Co\n0.143632 0.654175 0.654174 Co\n0.654174 0.654175 0.143632 Co\n0.347154 0.846329 0.347153 Co\n0.846329 0.347154 0.347153 Co\n0.347154 0.347154 0.846328 Co\n0.289605 0.713130 -0.000338 Co\n0.713130 -0.000337 0.289604 Co\n-0.000338 0.289605 0.713130 Co\n0.289604 -0.000337 0.713130 Co\n-0.000337 0.713130 0.289604 Co\n0.713130 0.289605 -0.000338 Co\n0.902601 0.902602 0.902600 Co\n0.096915 0.096915 0.096915 Co\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Co"
],
"chemical_system": "Ce-Co-Y",
"density": 8.587428474555372,
"density_atomic": 0.07982698855855971,
"volume": 238.01474091762742,
"volume_molar": 7.5439909092678095,
"formula_full": "Ce1 Y1 Co17",
"formula_reduced": "CeYCo17",
"formula_anonymous": "ABC17",
"energy_above_hull": 4.03830822368421,
"spacegroup": 160
},
{
"id": "jvasp-66477",
"created_at": "2022-09-04T14:36:19.707275Z",
"updated_at": "2022-09-04T14:36:19.707307Z",
"structure_string": "Ba4 In1 W1\n1.0\n0.000000 4.918771 4.918771\n4.918771 -0.000000 4.918771\n4.918771 4.918771 0.000000\nBa In W\n4 1 1\ndirect\n0.124453 0.625182 0.625182 Ba\n0.625182 0.625182 0.625182 Ba\n0.625182 0.124453 0.625182 Ba\n0.625182 0.625182 0.124453 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"W"
],
"chemical_system": "Ba-In-W",
"density": 5.915994061239943,
"density_atomic": 0.02520875765143148,
"volume": 238.0125225909056,
"volume_molar": 23.88908189475189,
"formula_full": "Ba4 In1 W1",
"formula_reduced": "Ba4InW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.372543975,
"spacegroup": 216
},
{
"id": "jvasp-107691",
"created_at": "2022-09-04T14:36:51.926367Z",
"updated_at": "2022-09-04T14:36:51.926389Z",
"structure_string": "Sr2 Sn6\n1.0\n6.999783 -0.000000 0.000000\n-3.499891 6.061991 0.000000\n0.000000 -0.000000 5.608990\nSr Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666666 0.333333 0.250000 Sr\n0.150247 0.300493 0.250000 Sn\n0.699507 0.849753 0.250000 Sn\n0.150247 0.849753 0.250000 Sn\n0.849753 0.699507 0.750000 Sn\n0.300493 0.150247 0.750000 Sn\n0.849753 0.150247 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Sn"
],
"chemical_system": "Sn-Sr",
"density": 6.192028256659491,
"density_atomic": 0.033612859280574406,
"volume": 238.0041499362529,
"volume_molar": 17.91618115475325,
"formula_full": "Sr2 Sn6",
"formula_reduced": "SrSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.27177085,
"spacegroup": 194
},
{
"id": "jvasp-18528",
"created_at": "2022-09-04T14:36:54.110616Z",
"updated_at": "2022-09-04T14:36:54.110635Z",
"structure_string": "Tl2 W1 Cl6\n1.0\n6.024146 -0.000000 3.478043\n2.008049 5.679619 3.478043\n-0.000000 -0.000000 6.956084\nTl W Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750001 0.750000 0.749999 Tl\n0.000000 0.000000 0.000000 W\n0.242950 0.757050 0.757049 Cl\n0.242950 0.757050 0.242949 Cl\n0.757051 0.242950 0.757049 Cl\n0.757051 0.242950 0.242949 Cl\n0.757051 0.757050 0.242949 Cl\n0.242950 0.242950 0.757049 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"W",
"Cl"
],
"chemical_system": "Cl-Tl-W",
"density": 5.61876091921974,
"density_atomic": 0.037814903763798396,
"volume": 238.00139903082425,
"volume_molar": 15.925310289339457,
"formula_full": "Tl2 W1 Cl6",
"formula_reduced": "Tl2WCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8431899561111108,
"spacegroup": 225
},
{
"id": "jvasp-11046",
"created_at": "2022-09-04T14:37:19.707826Z",
"updated_at": "2022-09-04T14:37:19.707836Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.877164 0.000000 -0.000000\n-0.000000 3.877164 -0.000000\n0.000000 0.000000 15.832524\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.184270 Sr\n0.000000 0.500000 0.815730 Sr\n0.500000 0.000000 0.413700 Sr\n0.000000 0.500000 0.586300 Sr\n0.000000 0.500000 0.305932 Mn\n0.500000 0.000000 0.694068 Mn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.092040 S\n0.500000 0.000000 0.907960 S\n0.500000 0.500000 0.288580 O\n0.000000 0.000000 0.288580 O\n0.000000 0.000000 0.711420 O\n0.500000 0.500000 0.711420 O\n0.000000 0.500000 0.430437 O\n0.500000 0.000000 0.569563 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.215849750362551,
"density_atomic": 0.0672266521893736,
"volume": 238.0008445895673,
"volume_molar": 8.957966169482866,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.453163851422414,
"spacegroup": 129
},
{
"id": "jvasp-57735",
"created_at": "2022-09-04T14:38:33.072514Z",
"updated_at": "2022-09-04T14:38:33.072541Z",
"structure_string": "Tb3 Al9\n1.0\n5.721950 -0.011002 5.492751\n2.334250 5.224184 5.492751\n-0.017002 -0.011002 7.931629\nTb Al\n3 9\ndirect\n0.782266 0.782266 0.782266 Tb\n0.217734 0.217734 0.217734 Tb\n0.000000 0.000000 0.000000 Tb\n0.703053 0.703052 0.263713 Al\n0.703053 0.263713 0.703052 Al\n0.263713 0.703052 0.703052 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.296948 0.736287 0.296947 Al\n0.296948 0.296948 0.736287 Al\n0.736287 0.296948 0.296947 Al\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Al"
],
"chemical_system": "Al-Tb",
"density": 5.020890745472548,
"density_atomic": 0.050421503533254954,
"volume": 237.9936963221561,
"volume_molar": 11.943596160372653,
"formula_full": "Tb3 Al9",
"formula_reduced": "TbAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5056792,
"spacegroup": 166
},
{
"id": "jvasp-86628",
"created_at": "2022-09-04T14:35:44.576482Z",
"updated_at": "2022-09-04T14:35:44.576494Z",
"structure_string": "Ce2 P10\n1.0\n4.661078 -0.182027 0.000000\n-1.492841 5.369551 0.000000\n0.000000 0.000000 9.613280\nCe P\n2 10\ndirect\n0.415309 0.104063 0.250000 Ce\n0.584691 0.895936 0.750000 Ce\n0.230799 0.559485 0.250000 P\n0.769201 0.440514 0.750000 P\n0.133794 0.478955 0.906628 P\n0.866206 0.521044 0.406628 P\n0.866206 0.521044 0.093372 P\n0.133794 0.478955 0.593372 P\n0.212615 0.109688 0.946758 P\n0.787386 0.890311 0.446758 P\n0.787386 0.890311 0.053242 P\n0.212615 0.109688 0.553242 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ce",
"P"
],
"chemical_system": "Ce-P",
"density": 4.116459970835791,
"density_atomic": 0.05042273475541771,
"volume": 237.98788499290293,
"volume_molar": 11.943304521682943,
"formula_full": "Ce2 P10",
"formula_reduced": "CeP5",
"formula_anonymous": "AB5",
"energy_above_hull": 3.0606371666666665,
"spacegroup": 11
},
{
"id": "jvasp-25844",
"created_at": "2022-09-04T14:38:29.999143Z",
"updated_at": "2022-09-04T14:38:29.999159Z",
"structure_string": "Rb2 Al2 Sb2 O7\n1.0\n2.867198 -4.966132 0.000000\n2.867198 4.966132 -0.000000\n0.000000 -0.000000 8.356913\nRb Al Sb O\n2 2 2 7\ndirect\n0.333333 0.666667 0.407889 Rb\n0.666667 0.333333 0.592111 Rb\n0.000000 0.000000 0.793075 Al\n0.000000 0.000000 0.206925 Al\n0.666667 0.333333 0.151468 Sb\n0.333333 0.666667 0.848532 Sb\n0.168039 0.336079 0.716736 O\n0.336079 0.168039 0.283264 O\n0.663922 0.831962 0.716736 O\n0.168039 0.831961 0.716736 O\n0.831962 0.663922 0.283264 O\n0.000000 0.000000 0.000000 O\n0.831961 0.168039 0.283264 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Sb",
"O"
],
"chemical_system": "Al-O-Rb-Sb",
"density": 4.049818065165104,
"density_atomic": 0.05462501028052623,
"volume": 237.98622523343468,
"volume_molar": 11.024511902283136,
"formula_full": "Rb2 Al2 Sb2 O7",
"formula_reduced": "Rb2Al2Sb2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 1.861526330769231,
"spacegroup": 164
}
]
}