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=-updated_at&page=4517",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4515",
"results": [
{
"id": "jvasp-98977",
"created_at": "2022-09-04T14:35:44.934183Z",
"updated_at": "2022-09-04T14:35:44.934208Z",
"structure_string": "Sn8 S12\n1.0\n3.821539 -0.000000 0.000000\n0.000000 8.992395 0.000000\n0.000000 0.000000 14.072419\nSn S\n8 12\ndirect\n0.250000 0.012893 0.330709 Sn\n0.250000 0.512893 0.169291 Sn\n0.750000 0.487107 0.830709 Sn\n0.250000 0.666284 0.551308 Sn\n0.750000 0.333716 0.448692 Sn\n0.250000 0.166284 0.948692 Sn\n0.750000 0.833717 0.051308 Sn\n0.750000 0.987107 0.669291 Sn\n0.250000 0.788892 0.713308 S\n0.750000 0.211109 0.286693 S\n0.750000 0.982406 0.892386 S\n0.250000 0.159890 0.506420 S\n0.750000 0.840111 0.493581 S\n0.250000 0.659890 0.993581 S\n0.750000 0.340110 0.006420 S\n0.250000 0.517594 0.392386 S\n0.750000 0.482406 0.607614 S\n0.250000 0.017594 0.107614 S\n0.750000 0.711109 0.213307 S\n0.250000 0.288892 0.786693 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 4.582180880487367,
"density_atomic": 0.04135686084200611,
"volume": 483.59569833902924,
"volume_molar": 14.561406831640662,
"formula_full": "Sn8 S12",
"formula_reduced": "Sn2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.29053068,
"spacegroup": 62
},
{
"id": "jvasp-65063",
"created_at": "2022-09-04T14:35:44.933393Z",
"updated_at": "2022-09-04T14:35:44.933430Z",
"structure_string": "K4 Sr1 Be1\n1.0\n0.000000 5.488627 5.488627\n5.488627 -0.000000 5.488627\n5.488627 5.488627 0.000000\nK Sr Be\n4 1 1\ndirect\n0.122149 0.625951 0.625951 K\n0.625951 0.625951 0.625951 K\n0.625951 0.122149 0.625951 K\n0.625951 0.625951 0.122149 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Sr",
"Be"
],
"chemical_system": "Be-K-Sr",
"density": 1.2705508115248558,
"density_atomic": 0.018143877357835392,
"volume": 330.69006594717274,
"volume_molar": 33.19103541779261,
"formula_full": "K4 Sr1 Be1",
"formula_reduced": "K4SrBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65598",
"created_at": "2022-09-04T14:35:44.930661Z",
"updated_at": "2022-09-04T14:35:44.930691Z",
"structure_string": "Ba1 Bi2 Cl1\n1.0\n4.202328 0.000000 0.000000\n0.000000 4.202138 0.000000\n0.000000 0.000000 7.821988\nBa Bi Cl\n1 2 1\ndirect\n0.500000 0.500000 0.297182 Ba\n0.000000 0.000000 0.959143 Bi\n0.500000 0.500000 0.800948 Bi\n0.000000 0.000000 0.442729 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Cl"
],
"chemical_system": "Ba-Bi-Cl",
"density": 7.101803657553937,
"density_atomic": 0.02895893514749777,
"volume": 138.12662584541286,
"volume_molar": 20.795449588623256,
"formula_full": "Ba1 Bi2 Cl1",
"formula_reduced": "BaBi2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2774521209375,
"spacegroup": 99
},
{
"id": "jvasp-60638",
"created_at": "2022-09-04T14:35:44.930489Z",
"updated_at": "2022-09-04T14:35:44.930520Z",
"structure_string": "U2 Br8\n1.0\n7.011504 0.039011 0.437630\n0.352764 6.875629 1.578618\n0.048863 -0.029646 7.063107\nU Br\n2 8\ndirect\n0.438144 0.802453 0.802454 U\n0.561854 0.197547 0.197547 U\n0.333294 0.559073 0.174661 Br\n0.666705 0.825339 0.440927 Br\n0.756576 0.942151 0.942152 Br\n0.243422 0.057849 0.057849 Br\n0.855790 0.333432 0.333432 Br\n0.144208 0.666568 0.666569 Br\n0.333294 0.174661 0.559074 Br\n0.666705 0.440926 0.825340 Br\n",
"nsites": 10,
"nelements": 2,
"elements": [
"U",
"Br"
],
"chemical_system": "Br-U",
"density": 5.43766464735267,
"density_atomic": 0.029361320560919304,
"volume": 340.58413616825754,
"volume_molar": 20.51045608628254,
"formula_full": "U2 Br8",
"formula_reduced": "UBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.9293924840000002,
"spacegroup": 12
},
{
"id": "jvasp-74650",
"created_at": "2022-09-04T14:35:44.925133Z",
"updated_at": "2022-09-04T14:35:44.925158Z",
"structure_string": "Be1 Sb2 Te1\n1.0\n5.243862 0.000000 0.000000\n0.000000 5.243862 -0.000000\n0.000000 -0.000000 3.599749\nBe Sb Te\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Te"
],
"chemical_system": "Be-Sb-Te",
"density": 6.3768912124845185,
"density_atomic": 0.04040966624189681,
"volume": 98.98621720990096,
"volume_molar": 14.90272333344895,
"formula_full": "Be1 Sb2 Te1",
"formula_reduced": "BeSb2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.651859016666667,
"spacegroup": 123
},
{
"id": "jvasp-98125",
"created_at": "2022-09-04T14:35:44.924687Z",
"updated_at": "2022-09-04T14:35:44.924700Z",
"structure_string": "Bi8 O12\n1.0\n5.527593 0.000000 0.000000\n-0.000000 8.238942 0.000000\n0.000000 0.000000 8.238942\nBi O\n8 12\ndirect\n0.219633 0.250984 0.514985 Bi\n0.780366 0.514985 0.749016 Bi\n0.219633 0.749016 0.485015 Bi\n0.219633 0.750984 0.985014 Bi\n0.219633 0.249016 0.014985 Bi\n0.780366 0.014985 0.750984 Bi\n0.780366 0.985014 0.249016 Bi\n0.780366 0.485015 0.250984 Bi\n0.000000 0.752072 0.252073 O\n0.500000 0.374283 0.125717 O\n0.500000 0.625717 0.874283 O\n0.500000 0.000000 0.000000 O\n0.000000 0.247927 0.747927 O\n0.500000 0.125717 0.625717 O\n0.000000 0.500000 0.000000 O\n0.000000 0.747927 0.752072 O\n0.000000 0.000000 0.500000 O\n0.000000 0.252073 0.247927 O\n0.500000 0.874283 0.374283 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.248554421006222,
"density_atomic": 0.05330292558678556,
"volume": 375.2139264370555,
"volume_molar": 11.297955400581168,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.70285382,
"spacegroup": 117
},
{
"id": "jvasp-106155",
"created_at": "2022-09-04T14:35:44.917008Z",
"updated_at": "2022-09-04T14:35:44.917026Z",
"structure_string": "Ba2 Ni1 N2\n1.0\n3.932199 0.000000 -1.210012\n-0.371627 3.915405 -1.207680\n0.014478 0.011635 7.041326\nBa Ni N\n2 1 2\ndirect\n0.855042 0.855042 0.210085 Ba\n0.144957 0.144956 0.789916 Ba\n0.500000 0.499999 0.500000 Ni\n0.362792 0.362792 0.225587 N\n0.637207 0.637206 0.774413 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"N"
],
"chemical_system": "Ba-N-Ni",
"density": 5.528492473271115,
"density_atomic": 0.04606664568506693,
"volume": 108.53839965215465,
"volume_molar": 13.072670411408208,
"formula_full": "Ba2 Ni1 N2",
"formula_reduced": "Ba2NiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.195690168,
"spacegroup": 139
},
{
"id": "jvasp-69636",
"created_at": "2022-09-04T14:35:44.916886Z",
"updated_at": "2022-09-04T14:35:44.916912Z",
"structure_string": "Be2 Cu1 Br1\n1.0\n-1.631315 1.631315 5.911752\n1.631315 -1.631315 5.911752\n1.631315 1.631315 -5.911752\nBe Cu Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Cu\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Br"
],
"chemical_system": "Be-Br-Cu",
"density": 4.260894907511728,
"density_atomic": 0.06356354846635658,
"volume": 62.92914880479261,
"volume_molar": 9.474204800236171,
"formula_full": "Be2 Cu1 Br1",
"formula_reduced": "Be2CuBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.94360418875,
"spacegroup": 119
},
{
"id": "jvasp-4924",
"created_at": "2022-09-04T14:35:44.914245Z",
"updated_at": "2022-09-04T14:35:44.914269Z",
"structure_string": "Co2 O2\n1.0\n0.833651 2.357923 1.443927\n-2.719076 -0.154235 4.709577\n1.667303 -2.357923 0.000000\nCo O\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.500001 0.500000 Co\n0.249999 0.250000 0.749999 O\n0.749998 0.750002 0.250000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 6.65366157750593,
"density_atomic": 0.10694754826785714,
"volume": 37.40151190732992,
"volume_molar": 5.630929233568922,
"formula_full": "Co2 O2",
"formula_reduced": "CoO",
"formula_anonymous": "AB",
"energy_above_hull": 1.5619872,
"spacegroup": 166
},
{
"id": "jvasp-92187",
"created_at": "2022-09-04T14:35:44.914189Z",
"updated_at": "2022-09-04T14:35:44.914225Z",
"structure_string": "Ca1 Ce1 Mg6\n1.0\n6.808832 -0.001815 0.000000\n-3.405988 5.895715 0.000000\n0.000000 0.000000 5.236010\nCa Ce Mg\n1 1 6\ndirect\n0.083123 0.416876 0.250000 Ca\n0.416859 0.083142 0.750000 Ce\n0.078951 0.914738 0.250000 Mg\n0.585261 0.421048 0.250000 Mg\n0.585674 0.914326 0.250000 Mg\n0.432685 0.591087 0.750000 Mg\n0.908912 0.067315 0.750000 Mg\n0.908530 0.591469 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"Mg"
],
"chemical_system": "Ca-Ce-Mg",
"density": 2.576060073449508,
"density_atomic": 0.038066881883272334,
"volume": 210.15643005726264,
"volume_molar": 15.819895042799132,
"formula_full": "Ca1 Ce1 Mg6",
"formula_reduced": "CaCeMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-89367",
"created_at": "2022-09-04T14:35:44.912648Z",
"updated_at": "2022-09-04T14:35:44.912675Z",
"structure_string": "Ba2 Li2 Zr4 F22\n1.0\n7.090006 0.008867 -3.946607\n-4.642118 6.651750 -0.221210\n0.006188 -0.008867 8.114422\nBa Li Zr F\n2 2 4 22\ndirect\n-0.000000 0.804910 0.804910 Ba\n-0.000000 0.195089 0.195089 Ba\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.852751 0.214249 0.638502 Zr\n0.424254 0.638502 0.785751 Zr\n0.147249 0.785751 0.361498 Zr\n0.575746 0.361498 0.214249 Zr\n0.434612 0.489666 0.275153 F\n0.278657 0.811193 0.677563 F\n0.866370 0.467463 0.188806 F\n0.866370 0.677564 0.398907 F\n0.565388 0.840542 0.055055 F\n0.785488 0.944945 0.510334 F\n0.500000 0.500000 -0.000000 F\n0.071945 0.188958 0.882986 F\n0.721343 0.398907 0.532537 F\n0.500000 -0.000000 0.500000 F\n0.214512 0.724847 0.159458 F\n0.785488 0.275153 0.840541 F\n0.133630 0.532537 0.811193 F\n0.305972 0.117014 0.188958 F\n0.278657 0.601093 0.467463 F\n0.721343 0.188807 0.322437 F\n0.214513 0.055055 0.489666 F\n0.565389 0.510334 0.724846 F\n0.694029 0.882986 0.811042 F\n0.133630 0.322436 0.601093 F\n0.928056 0.811042 0.117013 F\n0.434612 0.159458 0.944945 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Zr",
"F"
],
"chemical_system": "Ba-F-Li-Zr",
"density": 4.645112775110366,
"density_atomic": 0.07832818190988036,
"volume": 383.00391083398534,
"volume_molar": 7.688344875575829,
"formula_full": "Ba2 Li2 Zr4 F22",
"formula_reduced": "BaLiZr2F11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.3566632051666667,
"spacegroup": 87
},
{
"id": "jvasp-43211",
"created_at": "2022-09-04T14:35:44.911396Z",
"updated_at": "2022-09-04T14:35:44.911424Z",
"structure_string": "Li1 Mn1 O2\n1.0\n0.000000 2.820127 -0.000000\n-2.739903 1.410063 0.002988\n0.354228 -1.410063 4.825118\nLi Mn O\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.724902 0.785348 0.235154 O\n0.275100 0.214650 0.764847 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.180860215793244,
"density_atomic": 0.10727868210477892,
"volume": 37.28606580096879,
"volume_molar": 5.6135484160014055,
"formula_full": "Li1 Mn1 O2",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9367285603448277,
"spacegroup": 12
}
]
}