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=created_at&page=3566",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3564",
"results": [
{
"id": "jvasp-29649",
"created_at": "2022-09-04T14:38:13.343116Z",
"updated_at": "2022-09-04T14:38:13.343143Z",
"structure_string": "Zn1 I2\n1.0\n3.893923 -0.013005 6.053153\n1.769095 3.468878 6.053153\n-0.021310 -0.013005 7.197419\nZn I\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.746925 0.746930 0.746927 I\n0.253072 0.253074 0.253072 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zn",
"I"
],
"chemical_system": "I-Zn",
"density": 5.408836868658385,
"density_atomic": 0.030611791726550413,
"volume": 98.0014507742133,
"volume_molar": 19.67261770821745,
"formula_full": "Zn1 I2",
"formula_reduced": "ZnI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-38205",
"created_at": "2022-09-04T14:38:13.345742Z",
"updated_at": "2022-09-04T14:38:13.345758Z",
"structure_string": "Rb3 Ru1\n1.0\n0.000000 4.303619 4.303619\n4.303619 0.000000 4.303619\n4.303619 4.303619 -0.000000\nRb Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ru"
],
"chemical_system": "Rb-Ru",
"density": 3.723585960602876,
"density_atomic": 0.02509161106192469,
"volume": 159.4158298615511,
"volume_molar": 24.0006141699618,
"formula_full": "Rb3 Ru1",
"formula_reduced": "Rb3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 0.673895125,
"spacegroup": 225
},
{
"id": "jvasp-19349",
"created_at": "2022-09-04T14:38:13.347345Z",
"updated_at": "2022-09-04T14:38:13.347368Z",
"structure_string": "Al4 Bi4 O12\n1.0\n5.371684 -0.000000 0.000000\n0.000000 5.411138 0.000000\n0.000000 0.000000 9.409076\nAl Bi O\n4 4 12\ndirect\n0.957023 0.029132 0.750000 Al\n0.457023 0.470868 0.250000 Al\n0.542976 0.529132 0.750000 Al\n0.042976 0.970868 0.250000 Al\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.664548 0.211259 0.750000 O\n0.164548 0.288741 0.250000 O\n0.624295 0.368820 0.100778 O\n0.124295 0.131180 0.899222 O\n0.875704 0.868820 0.399222 O\n0.124295 0.131180 0.600778 O\n0.375705 0.631180 0.899222 O\n0.875704 0.868820 0.100778 O\n0.335452 0.788741 0.250000 O\n0.624295 0.368820 0.399222 O\n0.375705 0.631180 0.600778 O\n0.835451 0.711259 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 6.896367958923201,
"density_atomic": 0.07312804325371183,
"volume": 273.492891511012,
"volume_molar": 8.235063447693616,
"formula_full": "Al4 Bi4 O12",
"formula_reduced": "AlBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6677675200000002,
"spacegroup": 62
},
{
"id": "jvasp-47759",
"created_at": "2022-09-04T14:38:13.352596Z",
"updated_at": "2022-09-04T14:38:13.352627Z",
"structure_string": "Li2 Mn3 O6\n1.0\n0.416045 -5.004538 0.083231\n4.336396 2.532621 0.083231\n-1.922777 1.000107 4.740090\nLi Mn O\n2 3 6\ndirect\n0.508817 0.491182 0.500000 Li\n0.157849 0.842151 0.500000 Li\n-0.000574 0.000574 -0.000000 Mn\n0.667241 0.332758 -0.000000 Mn\n0.333333 0.666667 -0.000000 Mn\n0.294449 0.288958 0.770745 O\n0.372217 0.044375 0.229255 O\n0.088977 0.422311 0.196599 O\n0.955624 0.627782 0.770745 O\n0.577689 0.911023 0.803400 O\n0.711041 0.705550 0.229255 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.169642700644539,
"density_atomic": 0.10055312496188527,
"volume": 109.39490944880686,
"volume_molar": 5.989014028437899,
"formula_full": "Li2 Mn3 O6",
"formula_reduced": "Li2Mn3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.9655466112852658,
"spacegroup": 12
},
{
"id": "jvasp-19945",
"created_at": "2022-09-04T14:38:13.364918Z",
"updated_at": "2022-09-04T14:38:13.364945Z",
"structure_string": "Sm2 Ru4\n1.0\n4.658099 -0.000000 2.689355\n1.552700 4.391698 2.689355\n-0.000000 -0.000000 5.378709\nSm Ru\n2 4\ndirect\n0.875000 0.875000 0.875002 Sm\n0.125000 0.125000 0.125000 Sm\n0.500000 0.500000 0.500001 Ru\n0.500000 0.500000 0.000001 Ru\n-0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Ru"
],
"chemical_system": "Ru-Sm",
"density": 10.639445239137466,
"density_atomic": 0.054529563285565685,
"volume": 110.03205671350457,
"volume_molar": 11.043808894017126,
"formula_full": "Sm2 Ru4",
"formula_reduced": "SmRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.038519958333333,
"spacegroup": 227
},
{
"id": "jvasp-54930",
"created_at": "2022-09-04T14:38:13.371068Z",
"updated_at": "2022-09-04T14:38:13.371097Z",
"structure_string": "Zr1 In1 Pt2\n1.0\n4.078159 -0.000000 2.354527\n1.359386 3.844926 2.354527\n-0.000000 -0.000000 4.709052\nZr In Pt\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.750001 0.750001 0.750000 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Pt"
],
"chemical_system": "In-Pt-Zr",
"density": 13.407960672383368,
"density_atomic": 0.05417193707018702,
"volume": 73.83896933235862,
"volume_molar": 11.11671667231967,
"formula_full": "Zr1 In1 Pt2",
"formula_reduced": "ZrInPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0562368175000003,
"spacegroup": 225
},
{
"id": "jvasp-34052",
"created_at": "2022-09-04T14:38:13.378278Z",
"updated_at": "2022-09-04T14:38:13.378299Z",
"structure_string": "Te2 Mo2 S2\n1.0\n1.516127 -3.020051 0.003990\n0.009331 -0.013952 -13.404311\n1.857410 2.823040 -0.001412\nTe Mo S\n2 2 2\ndirect\n0.666517 0.365871 0.332911 Te\n0.333483 0.634128 0.667090 Te\n0.666792 0.776508 0.333777 Mo\n0.333208 0.223493 0.666224 Mo\n0.333441 0.886408 0.667130 S\n0.666559 0.113593 0.332872 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.403631292042573,
"density_atomic": 0.045261519566300874,
"volume": 132.56293773369586,
"volume_molar": 13.305211176523866,
"formula_full": "Te2 Mo2 S2",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.427277888888889,
"spacegroup": 164
},
{
"id": "jvasp-76926",
"created_at": "2022-09-04T14:38:13.381051Z",
"updated_at": "2022-09-04T14:38:13.381072Z",
"structure_string": "Li1 Ga2 Au1\n1.0\n-11.265143 0.005370 -6.660626\n-6.835075 -0.401202 -1.310212\n-5.833685 2.353460 -2.979822\nLi Ga Au\n1 2 1\ndirect\n0.055655 0.000915 -0.000684 Li\n0.679721 -0.000289 0.000216 Ga\n0.286714 -0.002129 0.001601 Ga\n0.477913 0.001500 -0.001133 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Li",
"density": 7.6571494149719355,
"density_atomic": 0.05372005509952701,
"volume": 74.46008744014149,
"volume_molar": 11.210228189161006,
"formula_full": "Li1 Ga2 Au1",
"formula_reduced": "LiGa2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-38027",
"created_at": "2022-09-04T14:38:13.383588Z",
"updated_at": "2022-09-04T14:38:13.383610Z",
"structure_string": "Sb2 Br2 O2\n1.0\n3.837941 -0.000000 -0.000000\n0.000000 3.837941 -0.000000\n0.000000 0.000000 8.284620\nSb Br O\n2 2 2\ndirect\n0.500000 0.000000 0.852192 Sb\n0.000000 0.500000 0.147808 Sb\n0.000000 0.500000 0.662973 Br\n0.500000 0.000000 0.337027 Br\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.923730890654484,
"density_atomic": 0.049167946370693674,
"volume": 122.03072210427467,
"volume_molar": 12.248103092606426,
"formula_full": "Sb2 Br2 O2",
"formula_reduced": "SbBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7889745683333335,
"spacegroup": 129
},
{
"id": "jvasp-53199",
"created_at": "2022-09-04T14:38:13.383842Z",
"updated_at": "2022-09-04T14:38:13.383874Z",
"structure_string": "Y4 Si1 S3\n1.0\n-5.610244 0.000058 -0.000679\n-0.000063 -5.610278 -0.002886\n2.804470 2.802281 5.627119\nY Si S\n4 1 3\ndirect\n0.748932 0.749074 0.500444 Y\n0.245762 0.245915 0.494086 Y\n0.997350 0.497539 0.997270 Y\n0.497336 0.997516 0.997269 Y\n0.997328 0.997531 0.997251 Si\n0.497356 0.497520 0.997255 S\n0.247340 0.747495 0.497267 S\n0.747342 0.247496 0.497268 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Si",
"S"
],
"chemical_system": "S-Si-Y",
"density": 4.500788650211116,
"density_atomic": 0.04518301733650997,
"volume": 177.05767502020342,
"volume_molar": 13.328328020125012,
"formula_full": "Y4 Si1 S3",
"formula_reduced": "Y4SiS3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.73902755,
"spacegroup": 139
},
{
"id": "jvasp-16388",
"created_at": "2022-09-04T14:38:13.390450Z",
"updated_at": "2022-09-04T14:38:13.390481Z",
"structure_string": "Y2 Cu2 As4\n1.0\n3.920676 0.000000 -0.000000\n-0.000000 3.920676 -0.000000\n-0.000000 -0.000000 9.886930\nY Cu As\n2 2 4\ndirect\n0.500001 0.000000 0.763809 Y\n0.000000 0.500001 0.236191 Y\n0.000000 0.000000 0.500000 Cu\n0.500001 0.500001 0.500000 Cu\n0.500001 0.500001 0.000000 As\n0.000000 0.000000 0.000000 As\n0.500001 0.000000 0.338446 As\n0.000000 0.500001 0.661554 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Cu",
"As"
],
"chemical_system": "As-Cu-Y",
"density": 6.605820389486705,
"density_atomic": 0.05263887746030176,
"volume": 151.9789248171809,
"volume_molar": 11.44048097253151,
"formula_full": "Y2 Cu2 As4",
"formula_reduced": "YCuAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.56705985,
"spacegroup": 129
},
{
"id": "jvasp-109716",
"created_at": "2022-09-04T14:38:13.391222Z",
"updated_at": "2022-09-04T14:38:13.391256Z",
"structure_string": "Mn4 Ga1\n1.0\n2.551373 -0.000000 0.000000\n-1.275687 2.186759 0.316563\n-0.000000 0.007715 10.228230\nMn Ga\n4 1\ndirect\n0.595672 0.191346 0.212981 Mn\n0.200699 0.401399 0.397902 Mn\n0.799300 0.598603 0.602098 Mn\n0.404326 0.808656 0.787019 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 8.424274145580972,
"density_atomic": 0.08762783172472559,
"volume": 57.05949698386946,
"volume_molar": 6.8724064506331475,
"formula_full": "Mn4 Ga1",
"formula_reduced": "Mn4Ga",
"formula_anonymous": "AB4",
"energy_above_hull": 3.537078258103448,
"spacegroup": 166
}
]
}