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=nelements&page=504",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=502",
"results": [
{
"id": "jvasp-39287",
"created_at": "2022-09-04T14:35:54.937400Z",
"updated_at": "2022-09-04T14:35:54.937426Z",
"structure_string": "K3 Sn1\n1.0\n0.000000 4.351332 4.351332\n4.351332 0.000000 4.351332\n4.351332 4.351332 0.000000\nK Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 K\n0.749999 0.749999 0.749999 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sn"
],
"chemical_system": "K-Sn",
"density": 2.3783373714922793,
"density_atomic": 0.024275228914051414,
"volume": 164.77702493197293,
"volume_molar": 24.807760953859262,
"formula_full": "K3 Sn1",
"formula_reduced": "K3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-1279",
"created_at": "2022-09-04T14:36:05.333968Z",
"updated_at": "2022-09-04T14:36:05.333976Z",
"structure_string": "Lu1 N1\n1.0\n2.903312 0.000000 1.676227\n0.967771 2.737268 1.676227\n0.000000 0.000000 3.352455\nLu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"N"
],
"chemical_system": "Lu-N",
"density": 11.778133630793256,
"density_atomic": 0.07506820117216163,
"volume": 26.642439392056218,
"volume_molar": 8.022226010436569,
"formula_full": "Lu1 N1",
"formula_reduced": "LuN",
"formula_anonymous": "AB",
"energy_above_hull": 1.1040544999999995,
"spacegroup": 225
},
{
"id": "jvasp-3636",
"created_at": "2022-09-04T14:36:00.005922Z",
"updated_at": "2022-09-04T14:36:00.005942Z",
"structure_string": "As2 I6\n1.0\n6.310092 -0.097687 4.798134\n2.324383 5.867204 4.798132\n-0.146194 -0.097683 7.925780\nAs I\n2 6\ndirect\n0.173977 0.173977 0.173977 As\n0.826023 0.826023 0.826023 As\n0.420736 0.072042 0.756167 I\n0.756167 0.420735 0.072042 I\n0.072042 0.756167 0.420736 I\n0.579264 0.927957 0.243833 I\n0.243833 0.579264 0.927957 I\n0.927958 0.243833 0.579264 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 5.022488408431534,
"density_atomic": 0.026552948309652925,
"volume": 301.2848105116719,
"volume_molar": 22.679744221890196,
"formula_full": "As2 I6",
"formula_reduced": "AsI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.28959764375,
"spacegroup": 148
},
{
"id": "jvasp-88712",
"created_at": "2022-09-04T14:35:54.285131Z",
"updated_at": "2022-09-04T14:35:54.285159Z",
"structure_string": "Se8 O16\n1.0\n5.253892 0.000000 0.000000\n0.000000 8.526612 -0.000000\n0.000000 -0.000000 8.612940\nSe O\n8 16\ndirect\n0.000000 0.592742 0.296215 Se\n0.000000 0.092742 0.203785 Se\n0.500000 0.742742 0.194444 Se\n0.000000 0.407258 0.703785 Se\n0.000000 0.907257 0.796215 Se\n0.500000 0.242742 0.305556 Se\n0.500000 0.257258 0.805556 Se\n0.500000 0.757258 0.694444 Se\n0.749376 0.402968 0.852256 O\n0.250624 0.097032 0.352256 O\n0.500000 0.227099 0.114560 O\n0.000000 0.402912 0.335452 O\n0.500000 0.772901 0.885440 O\n0.749376 0.097032 0.352256 O\n0.500000 0.272901 0.614560 O\n0.500000 0.727099 0.385440 O\n0.000000 0.597088 0.664548 O\n0.000000 0.097088 0.835452 O\n0.250624 0.597032 0.147744 O\n0.749376 0.902967 0.647744 O\n0.250624 0.902967 0.647744 O\n0.749376 0.597032 0.147744 O\n0.000000 0.902912 0.164548 O\n0.250624 0.402968 0.852256 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 3.820249888935234,
"density_atomic": 0.06220168903455901,
"volume": 385.84161254312073,
"volume_molar": 9.681635424166894,
"formula_full": "Se8 O16",
"formula_reduced": "SeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.612950122222223,
"spacegroup": 55
},
{
"id": "jvasp-93373",
"created_at": "2022-09-04T14:35:54.202512Z",
"updated_at": "2022-09-04T14:35:54.202529Z",
"structure_string": "B3 N3\n1.0\n0.000000 2.660930 0.000000\n0.000000 0.000000 4.241389\n3.503601 -1.330465 -2.120694\nB N\n3 3\ndirect\n-0.000000 0.949399 -0.000000 B\n0.192430 0.616768 0.384862 B\n0.807568 0.231906 0.615138 B\n0.808839 0.601343 0.617682 N\n0.191159 0.983661 0.382318 N\n-0.000000 0.276925 -0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 3.126624202918046,
"density_atomic": 0.15173824375427347,
"volume": 39.5417783384686,
"volume_molar": 3.968769250916281,
"formula_full": "B3 N3",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.6494279166666668,
"spacegroup": 44
},
{
"id": "jvasp-85566",
"created_at": "2022-09-04T14:36:04.753014Z",
"updated_at": "2022-09-04T14:36:04.753036Z",
"structure_string": "Sn4 Rh8\n1.0\n4.268459 0.000000 0.000000\n0.000000 5.613321 0.000000\n0.000000 0.000000 8.111905\nSn Rh\n4 8\ndirect\n0.750000 0.808101 0.101402 Sn\n0.750000 0.308101 0.398598 Sn\n0.250000 0.191899 0.898597 Sn\n0.250000 0.691899 0.601402 Sn\n0.250000 0.167618 0.569533 Rh\n0.750000 0.454565 0.724117 Rh\n0.750000 0.954564 0.775883 Rh\n0.750000 0.832382 0.430466 Rh\n0.750000 0.332382 0.069533 Rh\n0.250000 0.667618 0.930466 Rh\n0.250000 0.045435 0.224117 Rh\n0.250000 0.545435 0.275883 Rh\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn",
"density": 11.090165978823263,
"density_atomic": 0.061740109822769756,
"volume": 194.36311393755247,
"volume_molar": 9.75401692236549,
"formula_full": "Sn4 Rh8",
"formula_reduced": "SnRh2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7310959,
"spacegroup": 62
},
{
"id": "jvasp-93491",
"created_at": "2022-09-04T14:36:04.684207Z",
"updated_at": "2022-09-04T14:36:04.684240Z",
"structure_string": "U2 Si4\n1.0\n3.926815 -0.000000 0.000000\n0.000000 3.926815 0.000000\n-1.963407 -1.963407 7.178301\nU Si\n2 4\ndirect\n0.249999 0.749999 0.500000 U\n0.000000 0.000000 0.000000 U\n0.668243 0.168244 0.336489 Si\n0.581755 0.581755 0.163511 Si\n0.831754 0.331755 0.663511 Si\n0.418243 0.418243 0.836489 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Si"
],
"chemical_system": "Si-U",
"density": 8.827121022034277,
"density_atomic": 0.05420616748517952,
"volume": 110.68851162813635,
"volume_molar": 11.1096966256589,
"formula_full": "U2 Si4",
"formula_reduced": "USi2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.548711066666666,
"spacegroup": 141
},
{
"id": "jvasp-1882",
"created_at": "2022-09-04T14:35:54.456083Z",
"updated_at": "2022-09-04T14:35:54.456107Z",
"structure_string": "Er1 N1\n1.0\n2.959085 -0.000000 1.708429\n0.986362 2.789853 1.708429\n-0.000000 -0.000000 3.416857\nEr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.499999 0.500000 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"N"
],
"chemical_system": "Er-N",
"density": 10.670853698659934,
"density_atomic": 0.07090297063912711,
"volume": 28.207562842174056,
"volume_molar": 8.49349569660589,
"formula_full": "Er1 N1",
"formula_reduced": "ErN",
"formula_anonymous": "AB",
"energy_above_hull": 1.165541625,
"spacegroup": 225
},
{
"id": "jvasp-93270",
"created_at": "2022-09-04T14:35:54.311084Z",
"updated_at": "2022-09-04T14:35:54.311092Z",
"structure_string": "Rb2 Au3\n1.0\n4.655407 0.000000 -1.930729\n-0.972724 4.946268 -2.345447\n-0.058117 -0.083575 6.437829\nRb Au\n2 3\ndirect\n0.803053 0.303053 0.606106 Rb\n0.196948 0.696948 0.393895 Rb\n0.500001 0.253239 0.000000 Au\n0.500001 0.746762 0.000000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Rb",
"Au"
],
"chemical_system": "Au-Rb",
"density": 8.628214951279656,
"density_atomic": 0.034102071986340084,
"volume": 146.61865713035849,
"volume_molar": 17.659163825623928,
"formula_full": "Rb2 Au3",
"formula_reduced": "Rb2Au3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0965975139999999,
"spacegroup": 71
},
{
"id": "jvasp-14886",
"created_at": "2022-09-04T14:36:05.332238Z",
"updated_at": "2022-09-04T14:36:05.332257Z",
"structure_string": "Ta1 Ir3\n1.0\n3.930607 -0.000000 0.000000\n-0.000000 3.930607 0.000000\n0.000000 -0.000000 3.930607\nTa Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ir"
],
"chemical_system": "Ir-Ta",
"density": 20.71617407483535,
"density_atomic": 0.06586900779496092,
"volume": 60.72658650713737,
"volume_molar": 9.14260129550745,
"formula_full": "Ta1 Ir3",
"formula_reduced": "TaIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.965253124999999,
"spacegroup": 221
},
{
"id": "jvasp-571",
"created_at": "2022-09-04T14:35:54.615503Z",
"updated_at": "2022-09-04T14:35:54.615530Z",
"structure_string": "Y2 S4\n1.0\n3.869499 0.000000 0.000000\n0.000000 3.869499 0.000000\n0.000000 0.000000 7.936285\nY S\n2 4\ndirect\n0.250000 0.250000 0.273874 Y\n0.750000 0.750000 0.726127 Y\n0.750000 0.250000 0.000000 S\n0.250000 0.750000 0.000000 S\n0.250000 0.250000 0.631924 S\n0.750000 0.750000 0.368077 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"S"
],
"chemical_system": "S-Y",
"density": 4.277061945623627,
"density_atomic": 0.05049222600721212,
"volume": 118.83017395871956,
"volume_molar": 11.926867235244927,
"formula_full": "Y2 S4",
"formula_reduced": "YS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3576451500000002,
"spacegroup": 129
},
{
"id": "jvasp-42263",
"created_at": "2022-09-04T14:36:05.323942Z",
"updated_at": "2022-09-04T14:36:05.323961Z",
"structure_string": "Cr2 O2\n1.0\n2.820575 -0.681113 -0.645944\n-2.000149 3.464360 1.291890\n-1.194766 2.069393 6.279060\nCr O\n2 2\ndirect\n0.000000 0.000025 0.900000 Cr\n-0.000003 0.000024 0.399999 Cr\n0.499992 0.750022 0.150001 O\n0.500004 0.250028 0.650001 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.875989881036135,
"density_atomic": 0.08637011984052709,
"volume": 46.31231272326077,
"volume_molar": 6.9724816535153815,
"formula_full": "Cr2 O2",
"formula_reduced": "CrO",
"formula_anonymous": "AB",
"energy_above_hull": 1.6432704500000002,
"spacegroup": 131
}
]
}