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_molar&page=634",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=632",
"results": [
{
"id": "jvasp-28686",
"created_at": "2022-09-04T14:37:49.229395Z",
"updated_at": "2022-09-04T14:37:49.229422Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.348116 0.000000 0.000000\n-1.674058 2.899548 -0.000307\n0.000000 -0.003783 35.741665\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333333 0.666666 0.332459 Te\n0.333190 0.666381 0.226051 Te\n0.333061 0.666122 0.091608 Mo\n0.333480 0.666960 0.473988 Mo\n0.666596 0.333190 0.279282 Mo\n0.666868 0.333736 0.658064 W\n0.333606 0.667212 0.704879 Se\n0.666764 0.333526 0.427341 Se\n0.666868 0.333732 0.520608 Se\n0.333461 0.666923 0.611196 Se\n0.666341 0.332680 0.049187 S\n0.666441 0.332881 0.134086 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.296932582692089,
"density_atomic": 0.03458403579978029,
"volume": 346.98090383298285,
"volume_molar": 17.41306536595205,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.723919725000001,
"spacegroup": 156
},
{
"id": "jvasp-106002",
"created_at": "2022-09-04T14:35:52.196974Z",
"updated_at": "2022-09-04T14:35:52.196995Z",
"structure_string": "Sc3 Te4\n1.0\n4.051134 -0.022411 13.278623\n1.961806 3.544503 13.278623\n-0.038260 -0.022411 13.882797\nSc Te\n3 4\ndirect\n0.994953 0.994952 0.994952 Sc\n0.505197 0.505197 0.505197 Sc\n0.416439 0.416439 0.416439 Sc\n0.290466 0.290466 0.290466 Te\n0.707276 0.707275 0.707276 Te\n0.125258 0.125258 0.125258 Te\n0.875412 0.875412 0.875412 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Sc",
"Te"
],
"chemical_system": "Sc-Te",
"density": 5.294172004907648,
"density_atomic": 0.03458653374009105,
"volume": 202.39090891857535,
"volume_molar": 17.4118077436,
"formula_full": "Sc3 Te4",
"formula_reduced": "Sc3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.692543830952381,
"spacegroup": 160
},
{
"id": "jvasp-37578",
"created_at": "2022-09-04T14:38:01.759465Z",
"updated_at": "2022-09-04T14:38:01.759486Z",
"structure_string": "U2 Bi2 Sb2\n1.0\n4.419593 -0.000000 0.000000\n0.000000 4.419593 0.000000\n-0.000000 -0.000000 8.881307\nU Bi Sb\n2 2 2\ndirect\n0.000000 0.500000 0.292001 U\n0.500000 0.000000 0.707999 U\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.643626 Sb\n0.500000 0.000000 0.356374 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Bi",
"Sb"
],
"chemical_system": "Bi-Sb-U",
"density": 10.888644299628163,
"density_atomic": 0.03458675469704564,
"volume": 173.47681366915043,
"volume_molar": 17.411696508531932,
"formula_full": "U2 Bi2 Sb2",
"formula_reduced": "UBiSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4616721333333333,
"spacegroup": 129
},
{
"id": "jvasp-105387",
"created_at": "2022-09-04T14:36:57.459172Z",
"updated_at": "2022-09-04T14:36:57.459205Z",
"structure_string": "Tb1 Er1 Te2\n1.0\n4.339992 0.000000 0.000000\n0.000000 4.339992 0.000000\n-0.000000 0.000000 6.139541\nTb Er Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 -0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Er",
"Te"
],
"chemical_system": "Er-Tb-Te",
"density": 8.348312021355682,
"density_atomic": 0.03458965492853594,
"volume": 115.64151213026588,
"volume_molar": 17.410236593692716,
"formula_full": "Tb1 Er1 Te2",
"formula_reduced": "TbErTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8286459833333334,
"spacegroup": 123
},
{
"id": "jvasp-7962",
"created_at": "2022-09-04T14:36:38.549830Z",
"updated_at": "2022-09-04T14:36:38.549852Z",
"structure_string": "Y1 Pb3\n1.0\n4.871908 0.000000 0.000000\n-0.000000 4.871908 0.000000\n-0.000000 -0.000000 4.871908\nY Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Pb"
],
"chemical_system": "Pb-Y",
"density": 10.202803436758272,
"density_atomic": 0.034590971187079385,
"volume": 115.63711172972508,
"volume_molar": 17.409574097906287,
"formula_full": "Y1 Pb3",
"formula_reduced": "YPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8360869774999999,
"spacegroup": 221
},
{
"id": "jvasp-108641",
"created_at": "2022-09-04T14:38:26.949555Z",
"updated_at": "2022-09-04T14:38:26.949582Z",
"structure_string": "La1 Er1 Tl2\n1.0\n4.735865 0.000000 2.734253\n1.578622 4.465016 2.734253\n-0.000000 -0.000000 5.468506\nLa Er Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Tl\n0.749999 0.750001 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Er",
"Tl"
],
"chemical_system": "Er-La-Tl",
"density": 10.266496003915575,
"density_atomic": 0.03459146575846701,
"volume": 115.63545840843454,
"volume_molar": 17.409325184567958,
"formula_full": "La1 Er1 Tl2",
"formula_reduced": "LaErTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.38938005,
"spacegroup": 225
},
{
"id": "jvasp-29046",
"created_at": "2022-09-04T14:37:06.725271Z",
"updated_at": "2022-09-04T14:37:06.725298Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n3.368126 0.000000 0.000000\n-1.684063 2.916961 0.000244\n0.000000 0.002962 35.307095\nTe Mo W S\n4 2 2 4\ndirect\n0.333471 0.666943 0.344016 Te\n0.667025 0.334047 0.028014 Te\n0.666798 0.333591 0.135123 Te\n0.333479 0.666959 0.236207 Te\n0.333557 0.667111 0.081509 Mo\n0.333258 0.666512 0.479346 Mo\n0.666831 0.333658 0.290092 W\n0.666334 0.332666 0.651927 W\n0.332985 0.665969 0.694919 S\n0.666652 0.333299 0.436506 S\n0.666547 0.333092 0.522166 S\n0.333074 0.666146 0.608922 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.735941669512352,
"density_atomic": 0.03459396251462,
"volume": 346.88133789035,
"volume_molar": 17.40806869827341,
"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.547605238888889,
"spacegroup": 156
},
{
"id": "jvasp-79325",
"created_at": "2022-09-04T14:36:45.402929Z",
"updated_at": "2022-09-04T14:36:45.402950Z",
"structure_string": "Ca1 Ce1 Mg2\n1.0\n-0.000065 3.867139 3.866509\n3.866513 -0.000057 3.866499\n3.866407 3.867024 0.000049\nCa Ce Mg\n1 1 2\ndirect\n0.250000 0.249999 0.250000 Ca\n0.750001 0.750001 0.749998 Ce\n0.500000 0.500000 0.500000 Mg\n0.000001 0.999999 -0.000001 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"Mg"
],
"chemical_system": "Ca-Ce-Mg",
"density": 3.2859678117112927,
"density_atomic": 0.03459478103843129,
"volume": 115.62437685489051,
"volume_molar": 17.40765681768592,
"formula_full": "Ca1 Ce1 Mg2",
"formula_reduced": "CaCeMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3442909866666669,
"spacegroup": 225
},
{
"id": "jvasp-40247",
"created_at": "2022-09-04T14:37:41.297110Z",
"updated_at": "2022-09-04T14:37:41.297120Z",
"structure_string": "Sm2 Cl4\n1.0\n7.012411 0.000000 0.000000\n-0.000000 7.012411 0.000000\n0.000000 0.000000 3.526958\nSm Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.279142 0.279142 0.000000 Cl\n0.720857 0.720857 0.000000 Cl\n0.220858 0.779142 0.500000 Cl\n0.779142 0.220858 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Cl"
],
"chemical_system": "Cl-Sm",
"density": 4.237002939643292,
"density_atomic": 0.03459523123102973,
"volume": 173.434308327975,
"volume_molar": 17.407430289405095,
"formula_full": "Sm2 Cl4",
"formula_reduced": "SmCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0063533333333333,
"spacegroup": 136
},
{
"id": "jvasp-41124",
"created_at": "2022-09-04T14:37:34.600686Z",
"updated_at": "2022-09-04T14:37:34.600709Z",
"structure_string": "Na1 Ac1 Hg2\n1.0\n-0.000000 3.866656 3.866656\n3.866656 0.000000 3.866656\n3.866656 3.866656 -0.000000\nNa Ac Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Na\n0.250001 0.250001 0.250001 Ac\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg-Na",
"density": 9.352047900074524,
"density_atomic": 0.034595800680517715,
"volume": 115.62096905745445,
"volume_molar": 17.407143761789882,
"formula_full": "Na1 Ac1 Hg2",
"formula_reduced": "NaAcHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100805",
"created_at": "2022-09-04T14:36:42.073291Z",
"updated_at": "2022-09-04T14:36:42.073316Z",
"structure_string": "Sr1 In3 Hg1\n1.0\n4.546538 0.077872 -5.597709\n-0.512962 4.518179 -5.597709\n-0.068342 -0.077872 7.211150\nSr In Hg\n1 3 1\ndirect\n0.008022 0.008022 0.000000 Sr\n0.747725 0.247725 0.500000 In\n0.247725 0.747725 0.500001 In\n0.389237 0.389237 0.000000 In\n0.607294 0.607293 0.000000 Hg\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sr",
"density": 7.26953526647585,
"density_atomic": 0.03459827384648919,
"volume": 144.51588024838318,
"volume_molar": 17.405899458221345,
"formula_full": "Sr1 In3 Hg1",
"formula_reduced": "SrIn3Hg",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-22898",
"created_at": "2022-09-04T14:38:20.414694Z",
"updated_at": "2022-09-04T14:38:20.414713Z",
"structure_string": "Yb22 Sb20\n1.0\n10.320851 -0.000000 -5.881950\n-3.352179 9.761294 -5.881950\n0.015565 0.021802 12.023104\nYb Sb\n22 20\ndirect\n0.265308 0.603059 0.206118 Yb\n0.603059 0.940808 0.206118 Yb\n0.603059 0.265308 0.206118 Yb\n0.734692 0.396941 0.793881 Yb\n0.059191 0.396941 0.793881 Yb\n0.396941 0.734691 0.793881 Yb\n0.663077 0.663076 0.326154 Yb\n0.336923 0.336923 0.673845 Yb\n0.834431 0.834431 -0.000000 Yb\n0.165568 0.834431 -0.000000 Yb\n0.834431 0.165569 -0.000000 Yb\n0.165569 0.165569 -0.000000 Yb\n0.189366 0.937931 0.378732 Yb\n0.559199 0.810634 0.621267 Yb\n0.062069 0.810634 0.621267 Yb\n0.810634 0.062069 0.621267 Yb\n0.810634 0.559198 0.621267 Yb\n0.440801 0.189366 0.378732 Yb\n0.940809 0.603059 0.206118 Yb\n0.396941 0.059191 0.793882 Yb\n0.189366 0.440801 0.378732 Yb\n0.937931 0.189366 0.378732 Yb\n0.349594 0.000000 -0.000000 Sb\n0.469163 0.469162 0.350699 Sb\n0.881536 0.881536 0.350699 Sb\n0.469163 0.881536 0.350699 Sb\n0.881536 0.469162 0.350699 Sb\n0.530837 0.118463 0.649301 Sb\n0.118464 0.530837 0.649300 Sb\n0.530837 0.530837 0.649300 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.371865 0.628135 -0.000000 Sb\n0.628135 0.371865 -0.000000 Sb\n0.371865 0.371865 -0.000000 Sb\n0.874620 0.874619 0.749238 Sb\n0.125380 0.125380 0.250762 Sb\n0.650406 0.000000 -0.000000 Sb\n-0.000000 0.650406 -0.000000 Sb\n-0.000000 0.349594 -0.000000 Sb\n0.628135 0.628135 -0.000000 Sb\n0.118464 0.118463 0.649301 Sb\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Yb",
"Sb"
],
"chemical_system": "Sb-Yb",
"density": 8.538682381433157,
"density_atomic": 0.03459885460287414,
"volume": 1213.913017701778,
"volume_molar": 17.40560729284876,
"formula_full": "Yb22 Sb20",
"formula_reduced": "Yb11Sb10",
"formula_anonymous": "A10B11",
"energy_above_hull": 0.4861352714285714,
"spacegroup": 139
}
]
}