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=864",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=862",
"results": [
{
"id": "jvasp-11172",
"created_at": "2022-09-04T14:36:48.419587Z",
"updated_at": "2022-09-04T14:36:48.419606Z",
"structure_string": "Th2 P4 S12\n1.0\n6.904697 -0.000000 0.000000\n0.000000 6.904697 0.000000\n0.000000 0.000000 9.977509\nTh P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 Th\n0.000000 0.000000 0.250000 Th\n0.650458 0.064469 0.000000 P\n0.349542 0.935531 0.000000 P\n0.064469 0.349542 0.500000 P\n0.935531 0.650458 0.500000 P\n0.777321 0.675659 0.330161 S\n0.324341 0.777321 0.830161 S\n0.675659 0.222680 0.830161 S\n0.222680 0.324341 0.330161 S\n0.824970 0.821015 0.000000 S\n0.175030 0.178985 0.000000 S\n0.821015 0.175030 0.500000 S\n0.777321 0.675659 0.669839 S\n0.675659 0.222680 0.169839 S\n0.222680 0.324341 0.669839 S\n0.178985 0.824970 0.500000 S\n0.324341 0.777321 0.169839 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Th",
"P",
"S"
],
"chemical_system": "P-S-Th",
"density": 3.3957794825560987,
"density_atomic": 0.03784087121619543,
"volume": 475.67615177676515,
"volume_molar": 15.914381900971133,
"formula_full": "Th2 P4 S12",
"formula_reduced": "Th(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6215440666666665,
"spacegroup": 84
},
{
"id": "jvasp-108007",
"created_at": "2022-09-04T14:38:30.543416Z",
"updated_at": "2022-09-04T14:38:30.543436Z",
"structure_string": "Rb4 Ni2 P4\n1.0\n7.690783 -0.050058 0.000000\n-4.814663 5.997472 0.000000\n-0.000000 -0.000000 5.759157\nRb Ni P\n4 2 4\ndirect\n0.786740 0.213259 0.250000 Rb\n0.213260 0.786740 0.750000 Rb\n0.409696 0.590304 0.250000 Rb\n0.590304 0.409696 0.750000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.930877 0.736112 0.250000 P\n0.069123 0.263887 0.750000 P\n0.263887 0.069123 0.250000 P\n0.736112 0.930877 0.750000 P\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"P"
],
"chemical_system": "Ni-P-Rb",
"density": 3.664452997054017,
"density_atomic": 0.03784229858692145,
"volume": 264.2545609916007,
"volume_molar": 15.913781627634249,
"formula_full": "Rb4 Ni2 P4",
"formula_reduced": "Rb2NiP2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.98129268,
"spacegroup": 63
},
{
"id": "jvasp-117387",
"created_at": "2022-09-04T14:38:49.878543Z",
"updated_at": "2022-09-04T14:38:49.878570Z",
"structure_string": "Ce4 Zn3 Sb8\n1.0\n4.464213 -0.000000 0.000000\n0.000000 4.464213 0.000000\n-0.000000 -0.000000 19.889266\nCe Zn Sb\n4 3 8\ndirect\n0.500000 0.000000 0.121411 Ce\n0.500000 0.000000 0.631532 Ce\n-0.000000 0.500000 0.368468 Ce\n-0.000000 0.500000 0.878589 Ce\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.412541 Sb\n0.500000 0.000000 0.921959 Sb\n-0.000000 0.500000 0.078041 Sb\n-0.000000 0.500000 0.587459 Sb\n0.000000 0.000000 0.246403 Sb\n0.000000 0.000000 0.753597 Sb\n0.500000 0.500000 0.246013 Sb\n0.500000 0.500000 0.753987 Sb\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Sb"
],
"chemical_system": "Ce-Sb-Zn",
"density": 7.250703323599024,
"density_atomic": 0.03784274988326251,
"volume": 396.3771144082307,
"volume_molar": 15.913591846726597,
"formula_full": "Ce4 Zn3 Sb8",
"formula_reduced": "Ce4Zn3Sb8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 1.3532434666666666,
"spacegroup": 115
},
{
"id": "jvasp-113584",
"created_at": "2022-09-04T14:38:48.557782Z",
"updated_at": "2022-09-04T14:38:48.557801Z",
"structure_string": "Sc1 Ag3 S2\n1.0\n4.078168 2.354531 2.751855\n-4.078168 2.354531 2.751855\n0.000000 -4.709062 2.751855\nSc Ag S\n1 3 2\ndirect\n0.500001 0.500001 0.500002 Sc\n0.000000 0.500000 0.000001 Ag\n0.000001 0.000001 0.500000 Ag\n0.500000 0.000000 0.000001 Ag\n0.792305 0.792305 0.792306 S\n0.207698 0.207698 0.207698 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"S"
],
"chemical_system": "Ag-S-Sc",
"density": 4.531898217597086,
"density_atomic": 0.037844687917438134,
"volume": 158.54272634219058,
"volume_molar": 15.912776908447192,
"formula_full": "Sc1 Ag3 S2",
"formula_reduced": "ScAg3S2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0151078383333334,
"spacegroup": 166
},
{
"id": "jvasp-19847",
"created_at": "2022-09-04T14:36:39.467238Z",
"updated_at": "2022-09-04T14:36:39.467262Z",
"structure_string": "Tm1 Tl3\n1.0\n4.728065 -0.000000 -0.000000\n0.000000 4.728065 -0.000000\n0.000000 0.000000 4.728065\nTm Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Tl"
],
"chemical_system": "Tl-Tm",
"density": 12.287180673134577,
"density_atomic": 0.03784510163887058,
"volume": 105.69399543880768,
"volume_molar": 15.912602950482444,
"formula_full": "Tm1 Tl3",
"formula_reduced": "TmTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-8586",
"created_at": "2022-09-04T14:37:02.294104Z",
"updated_at": "2022-09-04T14:37:02.294133Z",
"structure_string": "K1 Cl1\n1.0\n3.752661 0.000000 -0.000000\n0.000000 3.752661 0.000000\n0.000000 0.000000 3.752661\nK Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Cl"
],
"chemical_system": "Cl-K",
"density": 2.3425362327850676,
"density_atomic": 0.03784530366098756,
"volume": 52.84671561670357,
"volume_molar": 15.912518007373956,
"formula_full": "K1 Cl1",
"formula_reduced": "KCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.01785,
"spacegroup": 221
},
{
"id": "jvasp-65335",
"created_at": "2022-09-04T14:36:22.378437Z",
"updated_at": "2022-09-04T14:36:22.378470Z",
"structure_string": "Ba1 Mn2 Hg1\n1.0\n4.691819 -0.000000 -0.000000\n-0.000000 4.691819 -0.000000\n0.000000 0.000000 4.801305\nBa Mn Hg\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Hg"
],
"chemical_system": "Ba-Hg-Mn",
"density": 7.035333520332626,
"density_atomic": 0.03784584417560422,
"volume": 105.69192171906782,
"volume_molar": 15.91229074467819,
"formula_full": "Ba1 Mn2 Hg1",
"formula_reduced": "BaMn2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8237287631896548,
"spacegroup": 123
},
{
"id": "jvasp-26395",
"created_at": "2022-09-04T14:37:58.663683Z",
"updated_at": "2022-09-04T14:37:58.663721Z",
"structure_string": "Ca4 Bi2 O1\n1.0\n4.568621 0.000000 -1.255954\n-0.345273 4.555555 -1.255954\n-0.011940 -0.012879 8.893883\nCa Bi O\n4 2 1\ndirect\n0.337432 0.337432 0.674865 Ca\n0.000000 0.500000 0.000000 Ca\n0.662567 0.662567 0.325135 Ca\n0.500000 0.000000 0.000000 Ca\n0.141155 0.141155 0.282312 Bi\n0.858845 0.858845 0.717689 Bi\n0.500000 0.500001 0.000001 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 5.335358196604386,
"density_atomic": 0.03784662088055345,
"volume": 184.9570671604338,
"volume_molar": 15.911964185670088,
"formula_full": "Ca4 Bi2 O1",
"formula_reduced": "Ca4Bi2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.1637805400000002,
"spacegroup": 139
},
{
"id": "jvasp-107863",
"created_at": "2022-09-04T14:37:49.525835Z",
"updated_at": "2022-09-04T14:37:49.525860Z",
"structure_string": "Rb2 Li1 Lu1 Cl6\n1.0\n6.237490 -0.000000 3.601217\n2.079163 5.880762 3.601217\n-0.000000 -0.000000 7.202433\nRb Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.748438 0.251562 0.251563 Cl\n0.251562 0.251562 0.748438 Cl\n0.251562 0.748438 0.748438 Cl\n0.251562 0.748438 0.251563 Cl\n0.748438 0.251562 0.748438 Cl\n0.748437 0.748438 0.251563 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Lu",
"Cl"
],
"chemical_system": "Cl-Li-Lu-Rb",
"density": 3.5547275419386275,
"density_atomic": 0.03785099559164031,
"volume": 264.19384335054525,
"volume_molar": 15.910125125823734,
"formula_full": "Rb2 Li1 Lu1 Cl6",
"formula_reduced": "Rb2LiLuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-5644",
"created_at": "2022-09-04T14:38:14.757423Z",
"updated_at": "2022-09-04T14:38:14.757436Z",
"structure_string": "Ge8 As8 Se8\n1.0\n5.162424 0.000000 0.000000\n0.000000 10.359219 0.000000\n0.000000 0.000000 11.856373\nGe As Se\n8 8 8\ndirect\n0.250000 0.000000 0.765650 Ge\n0.250000 0.500000 0.734350 Ge\n0.749999 0.000000 0.234350 Ge\n0.749999 0.500000 0.265650 Ge\n0.295190 0.250000 0.250000 Ge\n0.204809 0.750000 0.250000 Ge\n0.704809 0.750000 0.750000 Ge\n0.795190 0.250000 0.750000 Ge\n0.578681 0.414401 0.872222 As\n0.578681 0.085599 0.627778 As\n0.921318 0.914401 0.627778 As\n0.921318 0.585600 0.872222 As\n0.421318 0.585600 0.127778 As\n0.421318 0.914401 0.372222 As\n0.078681 0.085599 0.372222 As\n0.078681 0.414401 0.127778 As\n0.925987 0.842891 0.107678 Se\n0.925987 0.657109 0.392322 Se\n0.574012 0.342891 0.392322 Se\n0.574012 0.157109 0.107678 Se\n0.074012 0.157109 0.892322 Se\n0.074012 0.342891 0.607678 Se\n0.425987 0.657109 0.607678 Se\n0.425987 0.842891 0.892322 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ge",
"As",
"Se"
],
"chemical_system": "As-Ge-Se",
"density": 4.745873584416853,
"density_atomic": 0.03785111719730143,
"volume": 634.0631869568982,
"volume_molar": 15.91007401078599,
"formula_full": "Ge8 As8 Se8",
"formula_reduced": "GeAsSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.283303688888889,
"spacegroup": 52
},
{
"id": "jvasp-110227",
"created_at": "2022-09-04T14:38:28.184575Z",
"updated_at": "2022-09-04T14:38:28.184587Z",
"structure_string": "La2 Ni1 Sn4\n1.0\n9.202200 0.008544 0.000000\n-8.074681 4.413627 0.000000\n0.000000 0.000000 4.545636\nLa Ni Sn\n2 1 4\ndirect\n0.108389 0.891612 0.500000 La\n0.897815 0.102184 -0.000000 La\n0.313756 0.686245 0.500000 Ni\n0.454891 0.545109 0.500000 Sn\n0.560666 0.439334 -0.000000 Sn\n0.745364 0.254635 0.500000 Sn\n0.246399 0.753602 -0.000000 Sn\n",
"nsites": 7,
"nelements": 3,
"elements": [
"La",
"Ni",
"Sn"
],
"chemical_system": "La-Ni-Sn",
"density": 7.285095949070473,
"density_atomic": 0.03785114380584519,
"volume": 184.93496619034852,
"volume_molar": 15.910062826344568,
"formula_full": "La2 Ni1 Sn4",
"formula_reduced": "La2NiSn4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9538570285714288,
"spacegroup": 38
},
{
"id": "jvasp-51261",
"created_at": "2022-09-04T14:37:00.494887Z",
"updated_at": "2022-09-04T14:37:00.494907Z",
"structure_string": "Tl1 B1 Te2\n1.0\n-0.000000 3.752450 3.752450\n3.752450 -0.000000 3.752450\n3.752450 3.752450 0.000000\nTl B Te\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"B",
"Te"
],
"chemical_system": "B-Te-Tl",
"density": 7.391565162671542,
"density_atomic": 0.03785168813627468,
"volume": 105.67560383566226,
"volume_molar": 15.90983402990885,
"formula_full": "Tl1 B1 Te2",
"formula_reduced": "TlBTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6751001791666669,
"spacegroup": 216
}
]
}