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=energy_above_hull&page=4434",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4432",
"results": [
{
"id": "jvasp-104149",
"created_at": "2022-09-04T14:36:46.284914Z",
"updated_at": "2022-09-04T14:36:46.284940Z",
"structure_string": "H12 C8 S2\n1.0\n5.112882 0.002314 0.000671\n-0.006478 5.720053 -1.440258\n0.000896 -0.023090 6.999993\nH C S\n12 8 2\ndirect\n0.653614 0.029666 0.861365 H\n0.653714 0.394721 0.109553 H\n0.902134 0.177433 0.424694 H\n0.390037 0.057895 0.170818 H\n0.916758 0.057858 0.170906 H\n0.653704 0.529684 0.361366 H\n0.404683 0.177350 0.424622 H\n0.404594 0.677334 0.924628 H\n0.902048 0.677430 0.924709 H\n0.389950 0.557871 0.670824 H\n0.916668 0.557832 0.670925 H\n0.653628 0.894693 0.609553 H\n0.903360 0.726969 0.781725 C\n0.403458 0.726960 0.781682 C\n0.653526 0.857376 0.756238 C\n0.903448 0.226987 0.281716 C\n0.403546 0.226980 0.281678 C\n0.653614 0.357398 0.256237 C\n0.153605 0.360734 0.274359 C\n0.153519 0.860713 0.774359 C\n0.153832 0.637163 0.268301 S\n0.153747 0.137138 0.768289 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.3988109198908512,
"density_atomic": 0.10755234823280777,
"volume": 204.55155430338732,
"volume_molar": 5.599264784962648,
"formula_full": "H12 C8 S2",
"formula_reduced": "H6C4S",
"formula_anonymous": "AB4C6",
"energy_above_hull": 4.5581972727272735,
"spacegroup": 6
},
{
"id": "jvasp-115425",
"created_at": "2022-09-04T14:38:46.889249Z",
"updated_at": "2022-09-04T14:38:46.889277Z",
"structure_string": "As1 N3\n1.0\n2.979621 0.087897 -0.006796\n-1.152795 -3.152522 0.023585\n0.311957 -1.945998 -6.051653\nAs N\n1 3\ndirect\n0.229926 -0.045906 0.054711 As\n-0.049661 0.684674 0.677404 N\n0.872543 0.918993 0.538219 N\n0.562597 0.593112 0.180891 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"N"
],
"chemical_system": "As-N",
"density": 3.4462333628575346,
"density_atomic": 0.07098820150590683,
"volume": 56.3473917516725,
"volume_molar": 8.48329811468587,
"formula_full": "As1 N3",
"formula_reduced": "AsN3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.558727875000001,
"spacegroup": 1
},
{
"id": "jvasp-102004",
"created_at": "2022-09-04T14:36:59.751770Z",
"updated_at": "2022-09-04T14:36:59.751786Z",
"structure_string": "H28 C16 O10\n1.0\n6.239957 -0.000003 -0.239309\n-0.000003 6.151003 -0.000003\n-0.025027 -0.000006 10.765488\nH C O\n28 16 10\ndirect\n0.041979 0.749665 0.792703 H\n0.677868 0.864068 0.198492 H\n0.496000 0.221182 0.450485 H\n0.504003 0.721181 0.549515 H\n0.646699 0.332770 0.326652 H\n0.353303 0.832767 0.673348 H\n0.501669 0.508465 0.423029 H\n0.498333 0.008464 0.576972 H\n0.395297 0.295375 -0.002775 H\n0.604706 0.795374 0.002775 H\n0.560326 0.427821 0.116058 H\n0.439677 0.927819 0.883943 H\n0.668499 0.216541 0.022854 H\n0.331504 0.716540 0.977146 H\n0.322133 0.364067 0.801509 H\n0.121796 0.355323 0.506843 H\n0.958023 0.249667 0.207298 H\n0.878206 0.855324 0.493158 H\n0.090279 0.264795 0.063451 H\n0.591204 0.351384 0.680767 H\n0.408799 0.851385 0.319233 H\n0.909722 0.764795 0.936549 H\n0.169760 0.665202 0.169672 H\n0.046438 0.079423 0.659226 H\n0.953563 0.579423 0.340774 H\n0.164278 0.558138 0.625536 H\n0.835723 0.058139 0.374464 H\n0.830243 0.165202 0.830329 H\n0.501090 0.348632 0.379404 C\n0.498912 0.848631 0.620596 C\n0.525052 0.274055 0.067783 C\n0.474951 0.774054 0.932218 C\n0.930357 0.913748 0.403093 C\n0.069644 0.413748 0.596907 C\n0.916943 0.740124 0.300823 C\n0.083059 0.240124 0.699177 C\n0.901413 0.305775 0.785119 C\n0.255846 0.934149 0.300202 C\n0.744157 0.434148 0.699799 C\n0.288030 0.150150 0.227487 C\n0.711972 0.650148 0.772513 C\n0.078546 0.171646 0.149627 C\n0.921456 0.671646 0.850374 C\n0.098590 0.805775 0.214881 C\n0.018277 0.952391 0.117487 O\n0.981725 0.452391 0.882513 O\n0.312125 0.341361 0.298501 O\n0.687877 0.841360 0.701500 O\n0.712806 0.723509 0.238222 O\n0.528906 0.605595 0.844569 O\n0.287197 0.223508 0.761778 O\n0.844646 0.467009 0.582632 O\n0.471097 0.105596 0.155431 O\n0.155355 0.967009 0.417368 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5288075620605592,
"density_atomic": 0.13069868701018084,
"volume": 413.16405876207193,
"volume_molar": 4.607652071922423,
"formula_full": "H28 C16 O10",
"formula_reduced": "H14C8O5",
"formula_anonymous": "A5B8C14",
"energy_above_hull": 4.559087314814815,
"spacegroup": 4
},
{
"id": "jvasp-36568",
"created_at": "2022-09-04T14:37:29.522563Z",
"updated_at": "2022-09-04T14:37:29.522580Z",
"structure_string": "Cr4 N8\n1.0\n0.000000 4.580737 0.019937\n4.567463 0.000000 0.000000\n0.000000 -0.847030 -8.082959\nCr N\n4 8\ndirect\n0.169962 0.016534 0.681163 Cr\n0.830039 0.016534 0.318837 Cr\n0.405867 0.419046 0.189226 Cr\n0.594133 0.419046 0.810774 Cr\n0.079267 0.245511 0.214363 N\n0.920734 0.245511 0.785637 N\n0.500000 0.301024 -0.000000 N\n0.392089 0.272928 0.623829 N\n0.607912 0.272928 0.376171 N\n0.000000 0.863077 0.500000 N\n0.572295 0.760768 0.217526 N\n0.427706 0.760768 0.782474 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 3.143894741014987,
"density_atomic": 0.07099023242824476,
"volume": 169.03733921605786,
"volume_molar": 8.48305542045807,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.559197966666666,
"spacegroup": 3
},
{
"id": "jvasp-15720",
"created_at": "2022-09-04T14:36:49.984202Z",
"updated_at": "2022-09-04T14:36:49.984224Z",
"structure_string": "Sm1 B6\n1.0\n4.114735 -0.000000 0.000000\n0.000000 4.114735 -0.000000\n0.000000 0.000000 4.114735\nSm B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sm\n0.199167 0.500001 0.500001 B\n0.500001 0.500001 0.800834 B\n0.500001 0.500001 0.199167 B\n0.500001 0.199167 0.500001 B\n0.500001 0.800834 0.500001 B\n0.800834 0.500001 0.500001 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Sm",
"B"
],
"chemical_system": "B-Sm",
"density": 5.130010094200433,
"density_atomic": 0.1004783345354206,
"volume": 69.66675982803399,
"volume_molar": 5.993471913964773,
"formula_full": "Sm1 B6",
"formula_reduced": "SmB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.559972053571428,
"spacegroup": 221
},
{
"id": "jvasp-63705",
"created_at": "2022-09-04T14:36:20.467225Z",
"updated_at": "2022-09-04T14:36:20.467251Z",
"structure_string": "Fe4 B4 W4\n1.0\n3.262324 -0.000000 0.000000\n0.000000 5.728188 0.000000\n0.000000 0.000000 6.677222\nFe B W\n4 4 4\ndirect\n0.250000 0.143762 0.558485 Fe\n0.749999 0.356238 0.058485 Fe\n0.749999 0.856238 0.441515 Fe\n0.250000 0.643763 0.941515 Fe\n0.250000 0.270966 0.871441 B\n0.749999 0.229034 0.371441 B\n0.749999 0.729035 0.128559 B\n0.250000 0.770966 0.628559 B\n0.250000 0.027043 0.177662 W\n0.749999 0.472957 0.677662 W\n0.749999 0.972957 0.822338 W\n0.250000 0.527043 0.322338 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"B",
"W"
],
"chemical_system": "B-Fe-W",
"density": 13.334284415323017,
"density_atomic": 0.09617032333135037,
"volume": 124.77861760591736,
"volume_molar": 6.261953325508737,
"formula_full": "Fe4 B4 W4",
"formula_reduced": "FeBW",
"formula_anonymous": "ABC",
"energy_above_hull": 4.560652694444444,
"spacegroup": 62
},
{
"id": "jvasp-39709",
"created_at": "2022-09-04T14:37:41.060840Z",
"updated_at": "2022-09-04T14:37:41.060861Z",
"structure_string": "Ga1 Tc2 W1\n1.0\n-0.000000 3.096579 3.096579\n3.096579 0.000000 3.096579\n3.096579 3.096579 -0.000000\nGa Tc W\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Tc",
"W"
],
"chemical_system": "Ga-Tc-W",
"density": 12.570807321437211,
"density_atomic": 0.06735711896458993,
"volume": 59.38496274020903,
"volume_molar": 8.940615116222354,
"formula_full": "Ga1 Tc2 W1",
"formula_reduced": "GaTc2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.56116383125,
"spacegroup": 225
},
{
"id": "jvasp-39262",
"created_at": "2022-09-04T14:38:08.319079Z",
"updated_at": "2022-09-04T14:38:08.319088Z",
"structure_string": "Lu4 B16 Os4\n1.0\n3.561815 0.000000 0.000000\n0.000000 5.908086 -0.000000\n0.000000 0.000000 11.423975\nLu B Os\n4 16 4\ndirect\n0.000000 0.129249 0.149961 Lu\n0.000000 0.870752 0.850039 Lu\n0.000000 0.629249 0.350039 Lu\n0.000000 0.370752 0.649961 Lu\n0.499999 0.113317 0.547599 B\n0.499999 0.886683 0.452401 B\n0.499999 0.613318 0.952400 B\n0.499999 0.386683 0.047599 B\n0.499999 0.134708 0.970756 B\n0.499999 0.865292 0.029244 B\n0.499999 0.634708 0.529244 B\n0.499999 0.365292 0.470756 B\n0.499999 0.207027 0.813631 B\n0.499999 0.792974 0.186368 B\n0.499999 0.707027 0.686368 B\n0.499999 0.292973 0.313631 B\n0.499999 0.024256 0.692623 B\n0.499999 0.975744 0.307376 B\n0.499999 0.524257 0.807376 B\n0.499999 0.475744 0.192624 B\n0.000000 0.143747 0.405143 Os\n0.000000 0.856254 0.594856 Os\n0.000000 0.643747 0.094857 Os\n0.000000 0.356254 0.905143 Os\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"B",
"Os"
],
"chemical_system": "B-Lu-Os",
"density": 11.285037553401937,
"density_atomic": 0.09983339280624329,
"volume": 240.40052456775877,
"volume_molar": 6.032190823853673,
"formula_full": "Lu4 B16 Os4",
"formula_reduced": "LuB4Os",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.562080180555556,
"spacegroup": 55
},
{
"id": "jvasp-99828",
"created_at": "2022-09-04T14:36:39.618024Z",
"updated_at": "2022-09-04T14:36:39.618048Z",
"structure_string": "Np1 Sc1 Ru2\n1.0\n4.025087 0.000000 2.323886\n1.341696 3.794889 2.323886\n0.000000 0.000000 4.647770\nNp Sc Ru\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ru\n0.750001 0.750000 0.750001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Np",
"Sc",
"Ru"
],
"chemical_system": "Np-Ru-Sc",
"density": 11.3230007244634,
"density_atomic": 0.05634313574774837,
"volume": 70.99356375740679,
"volume_molar": 10.688330850028455,
"formula_full": "Np1 Sc1 Ru2",
"formula_reduced": "NpScRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5623040625,
"spacegroup": 225
},
{
"id": "jvasp-75482",
"created_at": "2022-09-04T14:35:54.666136Z",
"updated_at": "2022-09-04T14:35:54.666151Z",
"structure_string": "Cu1 As1 W2\n1.0\n-0.000000 3.132619 3.132619\n3.132619 0.000000 3.132619\n3.132619 3.132619 -0.000000\nCu As W\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"As",
"W"
],
"chemical_system": "As-Cu-W",
"density": 13.670158517530396,
"density_atomic": 0.06505898187211025,
"volume": 61.482671337571865,
"volume_molar": 9.256432527391881,
"formula_full": "Cu1 As1 W2",
"formula_reduced": "CuAsW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.56336055,
"spacegroup": 216
},
{
"id": "jvasp-109211",
"created_at": "2022-09-04T14:37:57.198371Z",
"updated_at": "2022-09-04T14:37:57.198401Z",
"structure_string": "Cr2 S1 N2\n1.0\n3.257707 0.009935 0.001559\n-1.635693 2.815278 0.000000\n-0.004496 -0.002612 6.093474\nCr S N\n2 1 2\ndirect\n0.666744 0.333374 0.696484 Cr\n0.333258 0.666629 0.303516 Cr\n0.000000 0.000000 0.000000 S\n0.666885 0.333444 0.369502 N\n0.333117 0.666560 0.630497 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cr",
"S",
"N"
],
"chemical_system": "Cr-N-S",
"density": 4.866453171498441,
"density_atomic": 0.08931053464435348,
"volume": 55.98443699738973,
"volume_molar": 6.742923199352654,
"formula_full": "Cr2 S1 N2",
"formula_reduced": "Cr2SN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.56346626,
"spacegroup": 164
},
{
"id": "jvasp-107537",
"created_at": "2022-09-04T14:37:01.380085Z",
"updated_at": "2022-09-04T14:37:01.380102Z",
"structure_string": "Nb1 W1\n1.0\n2.799860 0.001989 0.000000\n-0.929858 2.640944 0.000000\n0.000000 -0.000000 4.607256\nNb W\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.499999 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"W"
],
"chemical_system": "Nb-W",
"density": 13.486044225641612,
"density_atomic": 0.05869262438082486,
"volume": 34.07583186301359,
"volume_molar": 10.260472799658045,
"formula_full": "Nb1 W1",
"formula_reduced": "NbW",
"formula_anonymous": "AB",
"energy_above_hull": 4.563479699999999,
"spacegroup": 65
}
]
}