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=1014",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1012",
"results": [
{
"id": "jvasp-93095",
"created_at": "2022-09-04T14:36:02.730543Z",
"updated_at": "2022-09-04T14:36:02.730576Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n8.359936 0.111553 0.000000\n-4.083360 7.295694 0.000000\n0.000000 0.000000 3.272517\nRb Mg B\n1 6 1\ndirect\n0.161441 0.338558 0.250000 Rb\n0.170785 0.940324 0.250000 Mg\n0.559676 0.329215 0.250000 Mg\n0.713539 0.786460 0.250000 Mg\n0.372793 0.792472 0.750001 Mg\n0.707528 0.127206 0.750001 Mg\n0.913842 0.586158 0.750001 Mg\n0.400396 0.099604 0.750001 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"B"
],
"chemical_system": "B-Mg-Rb",
"density": 1.9992944114709357,
"density_atomic": 0.039783873599704304,
"volume": 201.086502548597,
"volume_molar": 15.137140291046874,
"formula_full": "Rb1 Mg6 B1",
"formula_reduced": "RbMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-102575",
"created_at": "2022-09-04T14:36:46.989923Z",
"updated_at": "2022-09-04T14:36:46.989954Z",
"structure_string": "Yb1 Mg3\n1.0\n4.423840 -0.237768 -2.766185\n-1.480336 4.175583 -2.766185\n0.177731 0.237768 5.214456\nYb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.000000 Mg\n0.750000 0.250000 0.500001 Mg\n0.249999 0.749999 0.500001 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 4.062256992052982,
"density_atomic": 0.03978529961641977,
"volume": 100.53964752220094,
"volume_molar": 15.136597733486981,
"formula_full": "Yb1 Mg3",
"formula_reduced": "YbMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108618",
"created_at": "2022-09-04T14:38:27.519297Z",
"updated_at": "2022-09-04T14:38:27.519331Z",
"structure_string": "Dy1 Ho1 Hg2\n1.0\n4.520079 -0.000000 2.609669\n1.506693 4.261571 2.609669\n-0.000000 -0.000000 5.219338\nDy Ho Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Dy\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Ho",
"Hg"
],
"chemical_system": "Dy-Hg-Ho",
"density": 12.03408957247956,
"density_atomic": 0.039785865975087785,
"volume": 100.5382163229683,
"volume_molar": 15.136382261406117,
"formula_full": "Dy1 Ho1 Hg2",
"formula_reduced": "DyHoHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36360",
"created_at": "2022-09-04T14:37:13.813276Z",
"updated_at": "2022-09-04T14:37:13.813307Z",
"structure_string": "Pr1 As1\n1.0\n3.894983 -0.000000 -0.000000\n-0.000000 3.894983 -0.000000\n0.000000 0.000000 3.313410\nPr As\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"As"
],
"chemical_system": "As-Pr",
"density": 7.129730062577118,
"density_atomic": 0.03978722812823642,
"volume": 50.26738715132127,
"volume_molar": 15.135864053133607,
"formula_full": "Pr1 As1",
"formula_reduced": "PrAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.7696058000000001,
"spacegroup": 123
},
{
"id": "jvasp-109556",
"created_at": "2022-09-04T14:38:18.285371Z",
"updated_at": "2022-09-04T14:38:18.285392Z",
"structure_string": "Li1 Nd1 In2\n1.0\n4.520010 -0.000000 2.609629\n1.506670 4.261507 2.609629\n-0.000000 -0.000000 5.219258\nLi Nd In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 In\n0.750000 0.750001 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nd",
"In"
],
"chemical_system": "In-Li-Nd",
"density": 6.290082452784633,
"density_atomic": 0.03978768069425691,
"volume": 100.53363076720815,
"volume_molar": 15.135691889849857,
"formula_full": "Li1 Nd1 In2",
"formula_reduced": "LiNdIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2258353600000001,
"spacegroup": 225
},
{
"id": "jvasp-109363",
"created_at": "2022-09-04T14:38:10.557860Z",
"updated_at": "2022-09-04T14:38:10.557880Z",
"structure_string": "Sn1 Se1 S1\n1.0\n3.800975 0.000000 0.000000\n-1.900487 3.291741 0.000000\n-0.000000 -0.000000 6.026186\nSn Se S\n1 1 1\ndirect\n0.333332 0.666666 0.008087 Sn\n0.000000 0.000000 0.739691 Se\n0.666665 0.333333 0.252224 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"Se",
"S"
],
"chemical_system": "S-Se-Sn",
"density": 5.0595636071088075,
"density_atomic": 0.0397885445013326,
"volume": 75.39858614078038,
"volume_molar": 15.135363294825488,
"formula_full": "Sn1 Se1 S1",
"formula_reduced": "SnSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9684116888888892,
"spacegroup": 156
},
{
"id": "jvasp-40212",
"created_at": "2022-09-04T14:38:32.670364Z",
"updated_at": "2022-09-04T14:38:32.670384Z",
"structure_string": "Ca1 Sn1 S3\n1.0\n0.000000 -4.153228 -2.796809\n0.000000 -4.153228 2.796809\n-5.408957 0.000000 0.000000\nCa Sn S\n1 1 3\ndirect\n0.198870 0.801130 0.000000 Ca\n0.677095 0.322906 0.500000 Sn\n0.699697 0.300304 0.000000 S\n0.088864 0.643727 0.500000 S\n0.356274 0.911136 0.500000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.3695213899159224,
"density_atomic": 0.03979036271225321,
"volume": 125.6585680346231,
"volume_molar": 15.134671688090737,
"formula_full": "Ca1 Sn1 S3",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.020878424,
"spacegroup": 38
},
{
"id": "jvasp-107447",
"created_at": "2022-09-04T14:36:50.851969Z",
"updated_at": "2022-09-04T14:36:50.851993Z",
"structure_string": "Ho2 Cd1 Hg1\n1.0\n4.519836 -0.000000 2.609528\n1.506612 4.261342 2.609528\n-0.000000 -0.000000 5.219057\nHo Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750001 Ho\n0.500000 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Ho",
"density": 10.619535030556799,
"density_atomic": 0.03979228549512739,
"volume": 100.52199692047859,
"volume_molar": 15.133940373285215,
"formula_full": "Ho2 Cd1 Hg1",
"formula_reduced": "Ho2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.22694580625,
"spacegroup": 225
},
{
"id": "jvasp-56619",
"created_at": "2022-09-04T14:37:37.577810Z",
"updated_at": "2022-09-04T14:37:37.577832Z",
"structure_string": "Ho10 Ga6\n1.0\n4.234284 -7.333995 -0.000000\n4.234284 7.333995 0.000000\n-0.000000 0.000000 6.473966\nHo Ga\n10 6\ndirect\n0.241888 0.241888 0.750000 Ho\n0.758112 -0.000001 0.750000 Ho\n0.333332 0.666667 0.000000 Ho\n0.758111 0.758111 0.250000 Ho\n-0.000000 0.241888 0.250000 Ho\n-0.000001 0.758112 0.750000 Ho\n0.666667 0.333332 0.000000 Ho\n0.241888 -0.000000 0.250000 Ho\n0.333332 0.666667 0.500000 Ho\n0.666667 0.333332 0.500000 Ho\n0.598433 -0.000000 0.250000 Ga\n-0.000000 0.401567 0.750000 Ga\n0.401567 0.401567 0.250000 Ga\n-0.000000 0.598433 0.250000 Ga\n0.401567 -0.000000 0.750000 Ga\n0.598432 0.598432 0.750000 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ho",
"Ga"
],
"chemical_system": "Ga-Ho",
"density": 8.538926433158288,
"density_atomic": 0.03979229428203268,
"volume": 402.08789889313925,
"volume_molar": 15.13393703141958,
"formula_full": "Ho10 Ga6",
"formula_reduced": "Ho5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.8208865333333333,
"spacegroup": 193
},
{
"id": "jvasp-102668",
"created_at": "2022-09-04T14:36:51.710279Z",
"updated_at": "2022-09-04T14:36:51.710310Z",
"structure_string": "Te2 As4\n1.0\n5.672045 -0.039204 -1.473711\n-3.400504 4.539846 -1.473711\n0.019787 0.039204 5.860335\nTe As\n2 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.250001 0.750000 0.500001 Te\n0.625001 0.375000 0.750001 As\n0.625002 0.875001 0.250001 As\n0.625001 0.375001 0.250001 As\n0.125001 0.375000 0.750001 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Te",
"As"
],
"chemical_system": "As-Te",
"density": 6.110907403429609,
"density_atomic": 0.03979273368476514,
"volume": 150.78129709638753,
"volume_molar": 15.133769918163752,
"formula_full": "Te2 As4",
"formula_reduced": "TeAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.707007088888889,
"spacegroup": 141
},
{
"id": "jvasp-30469",
"created_at": "2022-09-04T14:37:57.587008Z",
"updated_at": "2022-09-04T14:37:57.587023Z",
"structure_string": "Sc2 Sn6\n1.0\n6.342371 -0.000000 -0.000000\n-3.171185 5.492654 0.000000\n0.000000 0.000000 5.770636\nSc Sn\n2 6\ndirect\n0.333334 0.666667 0.750000 Sc\n0.666666 0.333333 0.249999 Sc\n0.168605 0.337208 0.249999 Sn\n0.662791 0.831394 0.249999 Sn\n0.168605 0.831394 0.249999 Sn\n0.831395 0.662790 0.750000 Sn\n0.337211 0.168606 0.750000 Sn\n0.831395 0.168606 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Sn"
],
"chemical_system": "Sc-Sn",
"density": 6.6261144838956545,
"density_atomic": 0.03979535848437793,
"volume": 201.02846926584368,
"volume_molar": 15.132771733578057,
"formula_full": "Sc2 Sn6",
"formula_reduced": "ScSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8989100875,
"spacegroup": 194
},
{
"id": "jvasp-94351",
"created_at": "2022-09-04T14:35:40.739447Z",
"updated_at": "2022-09-04T14:35:40.739475Z",
"structure_string": "Mg3 Sn3\n1.0\n3.382623 -0.000000 0.000000\n-1.691312 2.929438 0.000000\n-0.000000 -0.000000 15.214237\nMg Sn\n3 3\ndirect\n0.000000 0.000000 0.163755 Mg\n0.333333 0.666667 0.325141 Mg\n0.000000 0.000000 0.841310 Mg\n0.333333 0.666667 0.001897 Sn\n0.000000 0.000000 0.488930 Sn\n0.333333 0.666667 0.678967 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.725675071865612,
"density_atomic": 0.039798175685952585,
"volume": 150.76067926695941,
"volume_molar": 15.131700526980719,
"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3097228714285714,
"spacegroup": 156
}
]
}