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=703",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=701",
"results": [
{
"id": "jvasp-54805",
"created_at": "2022-09-04T14:37:44.444719Z",
"updated_at": "2022-09-04T14:37:44.444734Z",
"structure_string": "K4 Ag4 Sn2 Se8\n1.0\n0.000000 7.601103 0.002158\n5.874617 0.000000 0.000000\n0.000000 -4.985982 -11.304804\nK Ag Sn Se\n4 4 2 8\ndirect\n0.000000 0.523754 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.476246 0.250000 K\n0.000000 0.000000 0.500000 K\n0.499217 0.750637 0.967728 Ag\n0.499217 0.249363 0.467728 Ag\n0.500783 0.249363 0.032271 Ag\n0.500783 0.750637 0.532271 Ag\n0.500000 0.749526 0.250000 Sn\n0.500000 0.250475 0.750000 Sn\n0.740394 0.028565 0.690981 Se\n0.260268 0.524224 0.072577 Se\n0.739731 0.475777 0.927422 Se\n0.739731 0.524224 0.427423 Se\n0.259606 0.028565 0.809018 Se\n0.260268 0.475777 0.572577 Se\n0.740394 0.971436 0.190981 Se\n0.259606 0.971436 0.309019 Se\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-K-Se-Sn",
"density": 4.793289795583384,
"density_atomic": 0.03566216270826522,
"volume": 504.7366349385266,
"volume_molar": 16.88663923515856,
"formula_full": "K4 Ag4 Sn2 Se8",
"formula_reduced": "K2Ag2SnSe4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.3980672985185184,
"spacegroup": 13
},
{
"id": "jvasp-299",
"created_at": "2022-09-04T14:37:39.922253Z",
"updated_at": "2022-09-04T14:37:39.922275Z",
"structure_string": "Sn4 Se4\n1.0\n4.213348 -0.000000 0.000000\n-0.000000 4.520400 0.000000\n0.000000 0.000000 11.778176\nSn Se\n4 4\ndirect\n0.750000 0.385714 0.620841 Sn\n0.250000 0.614286 0.379160 Sn\n0.250000 0.885714 0.879160 Sn\n0.750000 0.114286 0.120841 Sn\n0.750000 0.027771 0.355276 Se\n0.250000 0.972229 0.644724 Se\n0.250000 0.527771 0.144724 Se\n0.750000 0.472229 0.855276 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Se"
],
"chemical_system": "Se-Sn",
"density": 5.852852967969014,
"density_atomic": 0.035662168698207805,
"volume": 224.32735562719827,
"volume_molar": 16.88663639881958,
"formula_full": "Sn4 Se4",
"formula_reduced": "SnSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3604725333333333,
"spacegroup": 62
},
{
"id": "jvasp-36403",
"created_at": "2022-09-04T14:37:17.571475Z",
"updated_at": "2022-09-04T14:37:17.571500Z",
"structure_string": "Si1 Sn1\n1.0\n3.038042 3.038042 0.000000\n3.038042 0.000000 -3.038042\n0.000000 3.038042 -3.038042\nSi Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.749999 0.749999 0.749999 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"Sn"
],
"chemical_system": "Si-Sn",
"density": 4.346608487134336,
"density_atomic": 0.03566306616644169,
"volume": 56.080427596042334,
"volume_molar": 16.886211443217768,
"formula_full": "Si1 Sn1",
"formula_reduced": "SiSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.2596501499999997,
"spacegroup": 216
},
{
"id": "jvasp-28538",
"created_at": "2022-09-04T14:37:32.462245Z",
"updated_at": "2022-09-04T14:37:32.462268Z",
"structure_string": "Mo2 W1 Se2 S4\n1.0\n3.235775 0.000000 0.000000\n-1.617887 2.802271 0.000000\n0.000000 0.000000 27.831213\nMo W Se S\n2 1 2 4\ndirect\n0.333377 0.666755 0.115522 Mo\n0.333377 0.666755 0.578443 Mo\n0.666556 0.333116 0.346982 W\n0.333222 0.666446 0.408677 Se\n0.333222 0.666446 0.285288 Se\n0.666696 0.333393 0.059785 S\n0.666722 0.333447 0.522635 S\n0.666722 0.333447 0.171330 S\n0.666696 0.333393 0.634179 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.355328285210789,
"density_atomic": 0.035663332827846346,
"volume": 252.36003722491958,
"volume_molar": 16.88608518185895,
"formula_full": "Mo2 W1 Se2 S4",
"formula_reduced": "Mo2W(SeS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.89338317037037,
"spacegroup": 187
},
{
"id": "jvasp-122873",
"created_at": "2022-09-04T14:38:54.426763Z",
"updated_at": "2022-09-04T14:38:54.426785Z",
"structure_string": "Sm3 Mo1\n1.0\n1.778402 -3.080283 0.000000\n1.778402 3.080283 -0.000000\n0.000000 -0.000000 10.237248\nSm Mo\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666666 0.205405 Sm\n0.666666 0.333333 0.794596 Sm\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Mo"
],
"chemical_system": "Mo-Sm",
"density": 8.09875993234671,
"density_atomic": 0.0356636849189386,
"volume": 112.15890924035916,
"volume_molar": 16.88591847333769,
"formula_full": "Sm3 Mo1",
"formula_reduced": "Sm3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 2.73874063125,
"spacegroup": 164
},
{
"id": "jvasp-107744",
"created_at": "2022-09-04T14:35:57.887994Z",
"updated_at": "2022-09-04T14:35:57.888003Z",
"structure_string": "Pr1 Y1 Mg2\n1.0\n3.816942 -0.000000 0.000000\n0.000000 3.816942 0.000000\n0.000000 -0.000000 7.698388\nPr Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.238606 Mg\n0.500000 0.500000 0.761394 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Y",
"Mg"
],
"chemical_system": "Mg-Pr-Y",
"density": 4.122152635074687,
"density_atomic": 0.03566391976424891,
"volume": 112.15817067897784,
"volume_molar": 16.885807280322734,
"formula_full": "Pr1 Y1 Mg2",
"formula_reduced": "PrYMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6928233500000001,
"spacegroup": 123
},
{
"id": "jvasp-101655",
"created_at": "2022-09-04T14:36:54.183988Z",
"updated_at": "2022-09-04T14:36:54.184012Z",
"structure_string": "Mn1 Cu2 Ge1 Te4\n1.0\n5.568323 0.023977 -4.906625\n-1.120467 5.454480 -4.906625\n-0.019466 -0.023977 7.421645\nMn Cu Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.249999 0.750000 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.499999 0.500000 0.000000 Ge\n0.378622 0.886803 0.000000 Te\n0.886802 0.378623 0.000001 Te\n0.113197 0.113197 0.491820 Te\n0.621376 0.621378 0.508180 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"Ge",
"Te"
],
"chemical_system": "Cu-Ge-Mn-Te",
"density": 5.66381265437333,
"density_atomic": 0.03566552085273972,
"volume": 224.3062713995235,
"volume_molar": 16.88504924648366,
"formula_full": "Mn1 Cu2 Ge1 Te4",
"formula_reduced": "MnCu2GeTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1325231447557471,
"spacegroup": 121
},
{
"id": "jvasp-38420",
"created_at": "2022-09-04T14:37:50.889454Z",
"updated_at": "2022-09-04T14:37:50.889470Z",
"structure_string": "Pr1 Tm1 Tl2\n1.0\n0.000000 3.827460 3.827460\n3.827460 0.000000 3.827460\n3.827460 3.827460 0.000000\nPr Tm Tl\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Pr\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Tm",
"Tl"
],
"chemical_system": "Pr-Tl-Tm",
"density": 10.640926552052989,
"density_atomic": 0.03566958147719533,
"volume": 112.14036818899386,
"volume_molar": 16.883127052808682,
"formula_full": "Pr1 Tm1 Tl2",
"formula_reduced": "PrTmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.351087325,
"spacegroup": 225
},
{
"id": "jvasp-14947",
"created_at": "2022-09-04T14:36:53.949671Z",
"updated_at": "2022-09-04T14:36:53.949691Z",
"structure_string": "Sm2 Tl2\n1.0\n4.352756 0.000000 0.000000\n-0.000000 5.075672 0.000000\n0.000000 0.000000 5.075672\nSm Tl\n2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Tl"
],
"chemical_system": "Sm-Tl",
"density": 10.506108299614938,
"density_atomic": 0.035670448485961494,
"volume": 112.13764249625976,
"volume_molar": 16.882716690175855,
"formula_full": "Sm2 Tl2",
"formula_reduced": "SmTl",
"formula_anonymous": "AB",
"energy_above_hull": 0.2110112916666666,
"spacegroup": 123
},
{
"id": "jvasp-32753",
"created_at": "2022-09-04T14:37:17.359633Z",
"updated_at": "2022-09-04T14:37:17.359661Z",
"structure_string": "Tl2 In2 Se4\n1.0\n6.387829 0.132820 -1.832969\n-3.596152 5.281068 -1.832969\n-0.068489 -0.132819 6.645257\nTl In Se\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Tl\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.811419 0.688581 0.500000 Se\n0.688581 0.188581 0.877162 Se\n0.311420 0.811419 0.122838 Se\n0.188581 0.311419 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"In",
"Se"
],
"chemical_system": "In-Se-Tl",
"density": 7.065338566539607,
"density_atomic": 0.035670982099907905,
"volume": 224.27192998481124,
"volume_molar": 16.882464136067473,
"formula_full": "Tl2 In2 Se4",
"formula_reduced": "TlInSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3564548258333333,
"spacegroup": 140
},
{
"id": "jvasp-78875",
"created_at": "2022-09-04T14:36:43.051606Z",
"updated_at": "2022-09-04T14:36:43.051630Z",
"structure_string": "Hg4\n1.0\n-2.605586 2.605586 -4.129272\n2.605586 -2.605586 -4.129272\n-2.605586 -2.605586 4.129272\nHg\n4\ndirect\n0.875000 0.375022 0.000023 Hg\n0.374999 0.874978 -0.000023 Hg\n0.624978 0.625000 0.499978 Hg\n0.125023 0.125000 0.500023 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.881576276144282,
"density_atomic": 0.035671032858240456,
"volume": 112.13580542779125,
"volume_molar": 16.882440113053274,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy_above_hull": 0.2398646000000002,
"spacegroup": 139
},
{
"id": "jvasp-94805",
"created_at": "2022-09-04T14:36:00.090655Z",
"updated_at": "2022-09-04T14:36:00.090680Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n7.771446 0.840565 0.000000\n-3.157773 5.469423 0.000000\n0.000000 0.000000 4.966167\nK Mg Sn\n1 6 1\ndirect\n0.091482 0.795740 0.250000 K\n0.641968 0.308844 0.250000 Mg\n0.641968 0.833122 0.250000 Mg\n0.362772 0.172465 0.750000 Mg\n0.362772 0.690307 0.750000 Mg\n0.865412 0.182706 0.750000 Mg\n0.753705 0.626852 0.750000 Mg\n0.279930 0.389966 0.250000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Sn"
],
"chemical_system": "K-Mg-Sn",
"density": 2.248194431705306,
"density_atomic": 0.03567123996743844,
"volume": 224.27030872216918,
"volume_molar": 16.882342092669482,
"formula_full": "K1 Mg6 Sn1",
"formula_reduced": "KMg6Sn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
}
]
}