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=density_atomic&page=1084",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1082",
"results": [
{
"id": "jvasp-8539",
"created_at": "2022-09-04T14:37:05.148707Z",
"updated_at": "2022-09-04T14:37:05.148726Z",
"structure_string": "Tl1 In1 S2\n1.0\n3.754696 -0.016220 6.808763\n1.740353 3.327036 6.808763\n-0.026921 -0.016220 7.775362\nTl In S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.499999 In\n0.768380 0.768381 0.768378 S\n0.231620 0.231620 0.231620 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 6.483056017213429,
"density_atomic": 0.04073956486633498,
"volume": 98.18465202374776,
"volume_molar": 14.782044873965695,
"formula_full": "Tl1 In1 S2",
"formula_reduced": "TlInS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5126331424999999,
"spacegroup": 166
},
{
"id": "jvasp-59712",
"created_at": "2022-09-04T14:37:28.288133Z",
"updated_at": "2022-09-04T14:37:28.288162Z",
"structure_string": "Cd6 P4\n1.0\n6.261223 0.000000 -0.000000\n0.000000 6.261223 -0.000000\n0.000000 0.000000 6.261223\nCd P\n6 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.250000 0.750000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 5.40095950810827,
"density_atomic": 0.04074013692126978,
"volume": 245.45818339601993,
"volume_molar": 14.78183731104727,
"formula_full": "Cd6 P4",
"formula_reduced": "Cd3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.5886071,
"spacegroup": 224
},
{
"id": "jvasp-14565",
"created_at": "2022-09-04T14:36:06.790135Z",
"updated_at": "2022-09-04T14:36:06.790167Z",
"structure_string": "Er1 Hg1\n1.0\n3.661531 0.000000 -0.000000\n-0.000000 3.661531 -0.000000\n0.000000 0.000000 3.661531\nEr Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Hg"
],
"chemical_system": "Er-Hg",
"density": 12.443155572984887,
"density_atomic": 0.04074195356517984,
"volume": 49.08944773108039,
"volume_molar": 14.781178203361439,
"formula_full": "Er1 Hg1",
"formula_reduced": "ErHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3418116666666666,
"spacegroup": 221
},
{
"id": "jvasp-11074",
"created_at": "2022-09-04T14:37:08.261754Z",
"updated_at": "2022-09-04T14:37:08.261772Z",
"structure_string": "Ho4 Ag4 Se8\n1.0\n4.222858 0.000000 0.000000\n0.000000 6.769752 0.000000\n0.000000 0.000000 13.736956\nHo Ag Se\n4 4 8\ndirect\n0.714919 0.293415 0.372616 Ho\n0.214918 0.206585 0.627384 Ho\n0.285082 0.793415 0.127384 Ho\n0.785082 0.706585 0.872616 Ho\n0.007572 0.708069 0.628018 Ag\n0.992429 0.208069 0.871982 Ag\n0.507572 0.791931 0.371982 Ag\n0.492428 0.291931 0.128018 Ag\n0.223156 0.491235 0.473588 Se\n0.723156 0.008765 0.526413 Se\n0.776844 0.991235 0.026412 Se\n0.276844 0.508765 0.973588 Se\n0.215606 0.087100 0.274217 Se\n0.284394 0.912899 0.774217 Se\n0.784394 0.587100 0.225783 Se\n0.715606 0.412899 0.725783 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ho",
"Ag",
"Se"
],
"chemical_system": "Ag-Ho-Se",
"density": 7.285055931387801,
"density_atomic": 0.04074274055218367,
"volume": 392.7079961522729,
"volume_molar": 14.780892690040787,
"formula_full": "Ho4 Ag4 Se8",
"formula_reduced": "HoAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6660398900000001,
"spacegroup": 19
},
{
"id": "jvasp-29170",
"created_at": "2022-09-04T14:38:13.484130Z",
"updated_at": "2022-09-04T14:38:13.484155Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.292715 0.000000 0.000000\n-1.646357 2.852108 -0.003825\n0.000000 -0.041987 31.362417\nMo W Se S\n2 2 6 2\ndirect\n0.338669 0.677338 0.064362 Mo\n0.323379 0.646759 0.479645 Mo\n0.666324 0.332649 0.275823 W\n0.671640 0.343281 0.683089 W\n0.333960 0.667924 0.329869 Se\n0.339311 0.678626 0.737093 Se\n0.671734 0.343470 0.010667 Se\n0.672290 0.344585 0.118123 Se\n0.332075 0.664153 0.221764 Se\n0.337174 0.674351 0.629031 Se\n0.655805 0.311610 0.430691 S\n0.657625 0.315251 0.528594 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 6.187354312681937,
"density_atomic": 0.040742942584180056,
"volume": 294.52953662358794,
"volume_molar": 14.780819396040181,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.594262666666666,
"spacegroup": 8
},
{
"id": "jvasp-91909",
"created_at": "2022-09-04T14:36:05.171005Z",
"updated_at": "2022-09-04T14:36:05.171027Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.555231 -1.757263 0.000000\n-4.799449 8.312889 0.000000\n0.000000 0.000000 4.262857\nRb Mg W\n1 6 1\ndirect\n0.250061 0.375031 0.250000 Rb\n0.749903 0.374885 0.250000 Mg\n0.749903 0.875018 0.250000 Mg\n0.249995 0.081936 0.750001 Mg\n0.249995 0.668061 0.750001 Mg\n0.663896 0.081949 0.750001 Mg\n0.836151 0.668076 0.750001 Mg\n0.250097 0.875048 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"W"
],
"chemical_system": "Mg-Rb-W",
"density": 3.510960799717425,
"density_atomic": 0.04074502518642677,
"volume": 196.3429882150376,
"volume_molar": 14.780063903374717,
"formula_full": "Rb1 Mg6 W1",
"formula_reduced": "RbMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3253042874999999,
"spacegroup": 123
},
{
"id": "jvasp-15780",
"created_at": "2022-09-04T14:35:41.810833Z",
"updated_at": "2022-09-04T14:35:41.810862Z",
"structure_string": "Pr3 Mg3 Ga3\n1.0\n3.751203 -6.497275 -0.000000\n3.751203 6.497275 -0.000000\n-0.000000 0.000000 4.531272\nPr Mg Ga\n3 3 3\ndirect\n0.580034 -0.000000 0.000000 Pr\n0.419965 0.419965 0.000000 Pr\n-0.000000 0.580034 0.000000 Pr\n0.243118 -0.000000 0.500000 Mg\n0.756881 0.756881 0.500000 Mg\n-0.000000 0.243118 0.500000 Mg\n0.333333 0.666666 0.500000 Ga\n0.666666 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Pr",
"density": 5.298675597069544,
"density_atomic": 0.04074652395005659,
"volume": 220.87773698270283,
"volume_molar": 14.779520254001046,
"formula_full": "Pr3 Mg3 Ga3",
"formula_reduced": "PrMgGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-102627",
"created_at": "2022-09-04T14:36:54.753270Z",
"updated_at": "2022-09-04T14:36:54.753284Z",
"structure_string": "Ca3 Ag3 Sn3\n1.0\n4.827910 -0.000000 0.000000\n-2.413955 4.181093 0.000000\n-0.000000 -0.000000 10.941987\nCa Ag Sn\n3 3 3\ndirect\n0.000000 0.000000 0.827199 Ca\n0.000000 0.000000 0.495100 Ca\n0.000000 0.000000 0.163032 Ca\n0.666667 0.333333 0.995113 Ag\n0.333334 0.666666 0.686783 Ag\n0.333334 0.666666 0.303384 Ag\n0.666667 0.333333 0.641689 Sn\n0.666667 0.333333 0.348552 Sn\n0.333334 0.666666 0.995150 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Sn"
],
"chemical_system": "Ag-Ca-Sn",
"density": 6.014185931271971,
"density_atomic": 0.040747157854324506,
"volume": 220.87430078377426,
"volume_molar": 14.779290328738522,
"formula_full": "Ca3 Ag3 Sn3",
"formula_reduced": "CaAgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-15356",
"created_at": "2022-09-04T14:36:07.609684Z",
"updated_at": "2022-09-04T14:36:07.609703Z",
"structure_string": "Sm2 Sn2 Au2\n1.0\n2.369812 -4.104634 0.000000\n2.369812 4.104634 0.000000\n0.000000 -0.000000 7.568766\nSm Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.473973 Sm\n0.000000 0.000000 0.973974 Sm\n0.333333 0.666666 0.699219 Sn\n0.666666 0.333333 0.199219 Sn\n0.666666 0.333333 0.796808 Au\n0.333333 0.666666 0.296808 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"Au"
],
"chemical_system": "Au-Sm-Sn",
"density": 10.511281880164997,
"density_atomic": 0.040748145070306496,
"volume": 147.24596640283016,
"volume_molar": 14.778932267001235,
"formula_full": "Sm2 Sn2 Au2",
"formula_reduced": "SmSnAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4179060483333331,
"spacegroup": 186
},
{
"id": "jvasp-91821",
"created_at": "2022-09-04T14:35:57.363243Z",
"updated_at": "2022-09-04T14:35:57.363259Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.554718 -1.756536 0.000000\n-4.798564 8.311355 0.000000\n0.000000 0.000000 4.263350\nRb Mg W\n1 6 1\ndirect\n0.250001 0.375001 0.250000 Rb\n0.749938 0.374955 0.250000 Mg\n0.749939 0.874981 0.250000 Mg\n0.249997 0.081919 0.750000 Mg\n0.249997 0.668079 0.750000 Mg\n0.663984 0.081993 0.750000 Mg\n0.836084 0.668041 0.750000 Mg\n0.250058 0.875028 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"W"
],
"chemical_system": "Mg-Rb-W",
"density": 3.511261928296806,
"density_atomic": 0.04074851981147419,
"volume": 196.32614968623514,
"volume_molar": 14.778796353491723,
"formula_full": "Rb1 Mg6 W1",
"formula_reduced": "RbMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3252955374999999,
"spacegroup": 123
},
{
"id": "jvasp-110770",
"created_at": "2022-09-04T14:38:36.922259Z",
"updated_at": "2022-09-04T14:38:36.922276Z",
"structure_string": "Dy1 Mg2 Sc1\n1.0\n4.484193 -0.000000 2.588950\n1.494731 4.227738 2.588950\n-0.000000 -0.000000 5.177900\nDy Mg Sc\n1 2 1\ndirect\n0.499999 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Mg",
"Sc"
],
"chemical_system": "Dy-Mg-Sc",
"density": 4.331664830476903,
"density_atomic": 0.04074871995189766,
"volume": 98.16259270774273,
"volume_molar": 14.778723766314407,
"formula_full": "Dy1 Mg2 Sc1",
"formula_reduced": "DyMg2Sc",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5621274624999999,
"spacegroup": 225
},
{
"id": "jvasp-110927",
"created_at": "2022-09-04T14:38:37.458551Z",
"updated_at": "2022-09-04T14:38:37.458573Z",
"structure_string": "Rb2 Li1 Ru1 Cl6\n1.0\n6.922451 0.000000 0.000000\n-3.461225 5.995018 0.000000\n-0.000000 -0.000000 5.913364\nRb Li Ru Cl\n2 1 1 6\ndirect\n0.333333 0.666667 0.258439 Rb\n0.666666 0.333333 0.741560 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Ru\n0.837703 0.162297 0.265688 Cl\n0.162296 0.837703 0.734311 Cl\n0.837703 0.675405 0.265688 Cl\n0.162297 0.324595 0.734311 Cl\n0.324595 0.162297 0.265688 Cl\n0.675405 0.837703 0.734311 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ru",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Ru",
"density": 3.326848642812779,
"density_atomic": 0.04074881702110972,
"volume": 245.4058971778138,
"volume_molar": 14.778688561388813,
"formula_full": "Rb2 Li1 Ru1 Cl6",
"formula_reduced": "Rb2LiRuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3182044905,
"spacegroup": 164
}
]
}