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=1212",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1210",
"results": [
{
"id": "jvasp-91523",
"created_at": "2022-09-04T14:35:53.963139Z",
"updated_at": "2022-09-04T14:35:53.963167Z",
"structure_string": "Tl2 Si1 Hg1 Se4\n1.0\n-4.021744 4.021744 -3.424047\n4.021744 -4.021744 -3.424047\n-4.021744 -4.021744 3.424047\nTl Si Hg Se\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Si\n0.500001 0.500001 0.000000 Hg\n0.958265 0.958265 0.326352 Se\n0.631912 0.631912 0.673647 Se\n0.041736 0.368088 0.000000 Se\n0.368088 0.041736 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Si",
"Hg",
"Se"
],
"chemical_system": "Hg-Se-Si-Tl",
"density": 7.145653975263545,
"density_atomic": 0.03611282249077088,
"volume": 221.52796287369975,
"volume_molar": 16.675907183768423,
"formula_full": "Tl2 Si1 Hg1 Se4",
"formula_reduced": "Tl2SiHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.7895077333333334,
"spacegroup": 121
},
{
"id": "jvasp-48884",
"created_at": "2022-09-04T14:36:19.566957Z",
"updated_at": "2022-09-04T14:36:19.566985Z",
"structure_string": "Li2 Cr2 C4 O12\n1.0\n0.000000 4.800337 0.162094\n7.784967 0.000000 0.000000\n0.000000 -2.489197 -6.011858\nLi Cr C O\n2 2 4 12\ndirect\n0.515561 0.952258 0.359515 Li\n0.484440 0.452258 0.640486 Li\n0.259034 0.994904 0.759107 Cr\n0.740966 0.494904 0.240894 Cr\n0.526907 0.735698 0.892118 C\n0.473094 0.235698 0.107883 C\n0.040986 0.753427 0.399441 C\n0.959014 0.253427 0.600560 C\n0.748725 0.746409 0.346310 O\n0.251276 0.246409 0.653691 O\n0.192963 0.895189 0.456154 O\n0.165732 0.608882 0.385677 O\n0.336674 0.372862 0.127690 O\n0.657657 0.585847 0.936510 O\n0.240669 0.755669 0.853834 O\n0.759332 0.255669 0.146167 O\n0.807038 0.395189 0.543847 O\n0.663326 0.872862 0.872311 O\n0.342344 0.085846 0.063491 O\n0.834268 0.108881 0.614324 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Cr",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O",
"density": 2.682874102715873,
"density_atomic": 0.0902833367149884,
"volume": 221.52482094383757,
"volume_molar": 6.670268267787929,
"formula_full": "Li2 Cr2 C4 O12",
"formula_reduced": "LiCr(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.66838284,
"spacegroup": 4
},
{
"id": "jvasp-113053",
"created_at": "2022-09-04T14:38:46.369631Z",
"updated_at": "2022-09-04T14:38:46.369647Z",
"structure_string": "U4 Si6 Ru2\n1.0\n8.222003 -0.000000 0.000000\n-4.111002 7.120463 0.000000\n0.000000 0.000000 3.783774\nU Si Ru\n4 6 2\ndirect\n0.000000 0.000000 0.000000 U\n-0.000000 0.500000 -0.000000 U\n0.500000 0.500000 -0.000000 U\n0.500000 0.000000 -0.000000 U\n0.671706 0.835853 0.500090 Si\n0.164147 0.835853 0.500090 Si\n0.164147 0.328294 0.500090 Si\n0.328294 0.164147 0.499909 Si\n0.835853 0.164147 0.499909 Si\n0.835853 0.671706 0.499909 Si\n0.333333 0.666666 0.499937 Ru\n0.666666 0.333333 0.500062 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-U",
"density": 9.91566701576643,
"density_atomic": 0.05417141656960086,
"volume": 221.5190364199187,
"volume_molar": 11.116823486169308,
"formula_full": "U4 Si6 Ru2",
"formula_reduced": "U2Si3Ru",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.7079730500000005,
"spacegroup": 191
},
{
"id": "jvasp-66254",
"created_at": "2022-09-04T14:35:51.600722Z",
"updated_at": "2022-09-04T14:35:51.600752Z",
"structure_string": "Ba4 Fe1 P1\n1.0\n0.000000 4.802416 4.802416\n4.802416 0.000000 4.802416\n4.802416 4.802416 0.000000\nBa Fe P\n4 1 1\ndirect\n0.123765 0.625412 0.625412 Ba\n0.625412 0.625412 0.625412 Ba\n0.625412 0.123765 0.625412 Ba\n0.625412 0.625412 0.123765 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"P"
],
"chemical_system": "Ba-Fe-P",
"density": 4.7685181151832206,
"density_atomic": 0.02708581593946565,
"volume": 221.51815597541744,
"volume_molar": 22.233558602993316,
"formula_full": "Ba4 Fe1 P1",
"formula_reduced": "Ba4FeP",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1690574799999998,
"spacegroup": 216
},
{
"id": "jvasp-4633",
"created_at": "2022-09-04T14:36:54.958255Z",
"updated_at": "2022-09-04T14:36:54.958265Z",
"structure_string": "Cd2 P2 S6\n1.0\n5.677879 -0.008005 4.822459\n2.226453 5.223148 4.822459\n-0.012133 -0.008006 7.449448\nCd P S\n2 2 6\ndirect\n0.672097 0.672096 0.672097 Cd\n0.328103 0.328102 0.328103 Cd\n0.941983 0.941981 0.941984 P\n0.058241 0.058241 0.058241 P\n0.901125 0.231531 0.605106 S\n0.605106 0.901123 0.231533 S\n0.768658 0.395123 0.099081 S\n0.099080 0.768658 0.395124 S\n0.395125 0.099080 0.768658 S\n0.231533 0.605105 0.901124 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"P",
"S"
],
"chemical_system": "Cd-P-S",
"density": 3.592224494159732,
"density_atomic": 0.04514755622978199,
"volume": 221.49593101128718,
"volume_molar": 13.338796743172207,
"formula_full": "Cd2 P2 S6",
"formula_reduced": "CdPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.35031305,
"spacegroup": 148
},
{
"id": "jvasp-112331",
"created_at": "2022-09-04T14:38:26.649646Z",
"updated_at": "2022-09-04T14:38:26.649667Z",
"structure_string": "Er4 Zn4 Rh4\n1.0\n3.984211 0.000000 0.000000\n0.000000 6.884303 0.000000\n0.000000 -0.000000 8.074660\nEr Zn Rh\n4 4 4\ndirect\n0.250000 0.540988 0.183024 Er\n0.750000 0.459012 0.816976 Er\n0.750000 0.959011 0.683024 Er\n0.250000 0.040988 0.316976 Er\n0.250000 0.635870 0.564203 Zn\n0.750000 0.364129 0.435797 Zn\n0.750000 0.864129 0.064203 Zn\n0.250000 0.135871 0.935797 Zn\n0.250000 0.751967 0.876271 Rh\n0.750000 0.248032 0.123729 Rh\n0.750000 0.748032 0.376271 Rh\n0.250000 0.251968 0.623729 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Zn",
"Rh"
],
"chemical_system": "Er-Rh-Zn",
"density": 10.063989961558807,
"density_atomic": 0.05418195791087066,
"volume": 221.4759389046074,
"volume_molar": 11.114660658639218,
"formula_full": "Er4 Zn4 Rh4",
"formula_reduced": "ErZnRh",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5265644666666669,
"spacegroup": 62
},
{
"id": "jvasp-117352",
"created_at": "2022-09-04T14:38:26.189979Z",
"updated_at": "2022-09-04T14:38:26.190005Z",
"structure_string": "Li2 V2 Cd2 F12\n1.0\n5.155126 0.000000 0.000000\n-2.577563 4.464470 0.000000\n-0.000000 -0.000000 9.622791\nLi V Cd F\n2 2 2 12\ndirect\n0.333334 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 V\n0.333334 0.666667 0.250000 V\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.009513 0.648112 0.137545 F\n0.638600 0.648112 0.362455 F\n0.990489 0.351888 0.862455 F\n0.361401 0.351888 0.637545 F\n0.351889 0.361401 0.137545 F\n0.990489 0.638599 0.637545 F\n0.648113 0.638599 0.862455 F\n0.361401 0.009512 0.862455 F\n0.351889 0.990488 0.362455 F\n0.648112 0.009512 0.637545 F\n0.009513 0.361401 0.362455 F\n0.638601 0.990488 0.137545 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"Cd",
"F"
],
"chemical_system": "Cd-F-Li-V",
"density": 4.263057007528116,
"density_atomic": 0.08127598811610719,
"volume": 221.46762429127307,
"volume_molar": 7.4094955959157875,
"formula_full": "Li2 V2 Cd2 F12",
"formula_reduced": "LiVCdF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-26367",
"created_at": "2022-09-04T14:37:48.384314Z",
"updated_at": "2022-09-04T14:37:48.384331Z",
"structure_string": "Nb2 I4 O2\n1.0\n-3.932121 0.000182 -0.000669\n-0.000093 -7.579360 0.012056\n1.965105 2.057212 7.427740\nNb I O\n2 4 2\ndirect\n0.020296 0.708134 0.998874 Nb\n0.021480 0.291868 0.001125 Nb\n0.158162 0.586110 0.310240 I\n0.128817 0.067810 0.256111 I\n0.872648 0.932192 0.743889 I\n0.847860 0.413893 0.689761 I\n0.505389 0.713041 0.998078 O\n0.507339 0.286953 0.001922 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.4394678932929645,
"density_atomic": 0.03612452378467695,
"volume": 221.45620652841342,
"volume_molar": 16.670505598621705,
"formula_full": "Nb2 I4 O2",
"formula_reduced": "NbI2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4790063624999998,
"spacegroup": 5
},
{
"id": "jvasp-112067",
"created_at": "2022-09-04T14:38:43.231954Z",
"updated_at": "2022-09-04T14:38:43.231969Z",
"structure_string": "H4 C10 S3 O1\n1.0\n3.699276 0.311070 0.000472\n1.149677 6.081614 0.003662\n-0.002259 -0.002155 10.002498\nH C S O\n4 10 3 1\ndirect\n0.121813 0.139887 0.181832 H\n-0.048757 0.164882 0.684379 H\n-0.050951 0.165179 0.435068 H\n0.124167 0.139547 0.937624 H\n0.829040 0.626130 0.559726 C\n0.180602 0.586815 0.059752 C\n0.938078 0.521591 0.689151 C\n0.106514 0.497879 0.189688 C\n0.106706 0.497864 0.929818 C\n0.938000 0.521572 0.430339 C\n-0.008628 0.305927 0.741482 C\n0.076153 0.293472 0.240202 C\n0.077480 0.293286 0.879282 C\n-0.009852 0.306071 0.377997 C\n0.011199 0.705317 0.309488 S\n0.010288 0.705469 0.810026 S\n0.599265 0.898884 0.559644 S\n0.270700 0.768578 0.059732 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7721023835676637,
"density_atomic": 0.08128072250883076,
"volume": 221.45472437261353,
"volume_molar": 7.409064011882673,
"formula_full": "H4 C10 S3 O1",
"formula_reduced": "H4C10S3O",
"formula_anonymous": "AB3C4D10",
"energy_above_hull": 5.501314083333333,
"spacegroup": 6
},
{
"id": "jvasp-23364",
"created_at": "2022-09-04T14:37:33.406274Z",
"updated_at": "2022-09-04T14:37:33.406293Z",
"structure_string": "Er4 Ge4 Rh4\n1.0\n4.287860 -0.000000 0.000000\n0.000000 6.852739 0.000000\n0.000000 0.000000 7.536592\nEr Ge Rh\n4 4 4\ndirect\n0.250000 0.503194 0.696298 Er\n0.750000 0.496806 0.303701 Er\n0.250000 0.003194 0.803701 Er\n0.750000 0.996806 0.196299 Er\n0.250000 0.286172 0.104878 Ge\n0.750000 0.713829 0.895122 Ge\n0.250000 0.786172 0.395122 Ge\n0.750000 0.213829 0.604878 Ge\n0.750000 0.841234 0.568874 Rh\n0.250000 0.158766 0.431126 Rh\n0.750000 0.341234 0.931125 Rh\n0.250000 0.658766 0.068874 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Rh"
],
"chemical_system": "Er-Ge-Rh",
"density": 10.281957628763301,
"density_atomic": 0.05418779171524858,
"volume": 221.45209502278297,
"volume_molar": 11.113464065200786,
"formula_full": "Er4 Ge4 Rh4",
"formula_reduced": "ErGeRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.167852983333333,
"spacegroup": 62
},
{
"id": "jvasp-66225",
"created_at": "2022-09-04T14:36:06.340348Z",
"updated_at": "2022-09-04T14:36:06.340378Z",
"structure_string": "Ba4 Be1 Mo1\n1.0\n0.000000 4.801905 4.801905\n4.801905 0.000000 4.801905\n4.801905 4.801905 0.000000\nBa Be Mo\n4 1 1\ndirect\n0.123971 0.625343 0.625343 Ba\n0.625343 0.625343 0.625343 Ba\n0.625343 0.123971 0.625343 Ba\n0.625343 0.625343 0.123971 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Mo"
],
"chemical_system": "Ba-Be-Mo",
"density": 4.906015325286713,
"density_atomic": 0.02709446396033662,
"volume": 221.44745172974652,
"volume_molar": 22.226462087663982,
"formula_full": "Ba4 Be1 Mo1",
"formula_reduced": "Ba4BeMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5183076466666665,
"spacegroup": 216
},
{
"id": "jvasp-12639",
"created_at": "2022-09-04T14:37:18.499877Z",
"updated_at": "2022-09-04T14:37:18.499911Z",
"structure_string": "Ba2 Dy2 Fe4 O10\n1.0\n3.898268 0.000000 0.000000\n0.000000 7.356462 -0.000000\n0.000000 0.000000 7.721869\nBa Dy Fe 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 Dy\n0.000000 0.500000 0.000000 Dy\n0.500000 0.733468 0.250000 Fe\n0.500000 0.266532 0.750000 Fe\n0.500000 0.264813 0.250000 Fe\n0.500000 0.735187 0.750000 Fe\n0.000000 0.307050 0.750000 O\n0.000000 0.692950 0.250000 O\n0.000000 0.305914 0.250000 O\n0.000000 0.694086 0.750000 O\n0.500000 0.691171 0.495853 O\n0.500000 0.691171 0.004148 O\n0.500000 0.308828 0.504148 O\n0.500000 0.997973 0.250000 O\n0.500000 0.308828 0.995853 O\n0.500000 0.002026 0.750000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Dy",
"Fe",
"O"
],
"chemical_system": "Ba-Dy-Fe-O",
"density": 7.371432060743234,
"density_atomic": 0.08128480844721034,
"volume": 221.44359252184168,
"volume_molar": 7.408691580925634,
"formula_full": "Ba2 Dy2 Fe4 O10",
"formula_reduced": "BaDyFe2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.3780312188888884,
"spacegroup": 123
}
]
}