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=1041",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1039",
"results": [
{
"id": "jvasp-118056",
"created_at": "2022-09-04T14:38:49.625809Z",
"updated_at": "2022-09-04T14:38:49.625834Z",
"structure_string": "Sn1 H1 Cl1\n1.0\n3.197357 0.000000 0.000000\n0.000000 3.197357 -0.000000\n-0.000000 0.000000 7.307453\nSn H Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.009518 Sn\n0.000000 0.000000 0.621487 H\n0.000000 0.000000 0.441932 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"H",
"Cl"
],
"chemical_system": "Cl-H-Sn",
"density": 3.4491429787237333,
"density_atomic": 0.04015808216361537,
"volume": 74.70476273685463,
"volume_molar": 14.99608655479138,
"formula_full": "Sn1 H1 Cl1",
"formula_reduced": "SnHCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9338585891666668,
"spacegroup": 99
},
{
"id": "jvasp-120183",
"created_at": "2022-09-04T14:38:52.337182Z",
"updated_at": "2022-09-04T14:38:52.337201Z",
"structure_string": "Y1 Sn1 F1\n1.0\n5.183361 -0.000000 0.000000\n-2.591681 4.488922 -0.000000\n-0.000000 0.000000 3.210572\nY Sn F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Y\n0.333333 0.666666 0.000000 Sn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Sn",
"F"
],
"chemical_system": "F-Sn-Y",
"density": 5.037329847997042,
"density_atomic": 0.040159225178433164,
"volume": 74.70263648440856,
"volume_molar": 14.995659735073996,
"formula_full": "Y1 Sn1 F1",
"formula_reduced": "YSnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7080232399999997,
"spacegroup": 187
},
{
"id": "jvasp-35950",
"created_at": "2022-09-04T14:38:34.168060Z",
"updated_at": "2022-09-04T14:38:34.168085Z",
"structure_string": "Mg2 Sc4 Se8\n1.0\n-5.586040 -5.586040 -0.000000\n-5.586040 0.000000 -5.586040\n0.000000 -5.586040 -5.586040\nMg Sc Se\n2 4 8\ndirect\n0.375000 0.375000 0.375000 Mg\n0.625000 0.625000 0.625000 Mg\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.242495 0.242495 0.772513 Se\n0.242495 0.772513 0.242495 Se\n0.772513 0.242495 0.242495 Se\n0.242495 0.242495 0.242495 Se\n0.757505 0.757505 0.227487 Se\n0.757505 0.227487 0.757505 Se\n0.227487 0.757505 0.757505 Se\n0.757505 0.757505 0.757505 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Se"
],
"chemical_system": "Mg-Sc-Se",
"density": 4.096970313359772,
"density_atomic": 0.04015927985271106,
"volume": 348.6118289806657,
"volume_molar": 14.995639319447259,
"formula_full": "Mg2 Sc4 Se8",
"formula_reduced": "Mg(ScSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3786518595238095,
"spacegroup": 227
},
{
"id": "jvasp-9378",
"created_at": "2022-09-04T14:38:14.155507Z",
"updated_at": "2022-09-04T14:38:14.155536Z",
"structure_string": "Er4 Cd2 S8\n1.0\n6.841453 -0.000000 3.949914\n2.280485 6.450184 3.949914\n0.000000 0.000000 7.899830\nEr Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Er\n0.500000 0.500000 0.500000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 -0.000000 0.500000 Er\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.875000 Cd\n0.742236 0.742236 0.742236 S\n0.257763 0.257764 0.726709 S\n0.257763 0.726708 0.257764 S\n0.726708 0.257764 0.257764 S\n0.742236 0.273291 0.742236 S\n0.273291 0.742236 0.742236 S\n0.257763 0.257764 0.257764 S\n0.742236 0.742236 0.273291 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Cd",
"S"
],
"chemical_system": "Cd-Er-S",
"density": 5.479632944612189,
"density_atomic": 0.04015964255556726,
"volume": 348.6086804838656,
"volume_molar": 14.995503885940739,
"formula_full": "Er4 Cd2 S8",
"formula_reduced": "Er2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.11428425,
"spacegroup": 227
},
{
"id": "jvasp-99639",
"created_at": "2022-09-04T14:36:36.728762Z",
"updated_at": "2022-09-04T14:36:36.728781Z",
"structure_string": "Pm2 Al1 Ga1\n1.0\n4.505967 -0.000000 2.601521\n1.501989 4.248267 2.601521\n-0.000000 -0.000000 5.203043\nPm Al Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750001 0.749999 Pm\n0.500000 0.500000 0.499999 Al\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Pm",
"density": 6.447199971681284,
"density_atomic": 0.04016083792687105,
"volume": 99.59951551019947,
"volume_molar": 14.995057550755611,
"formula_full": "Pm2 Al1 Ga1",
"formula_reduced": "Pm2AlGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.98344436875,
"spacegroup": 225
},
{
"id": "jvasp-16223",
"created_at": "2022-09-04T14:35:51.197620Z",
"updated_at": "2022-09-04T14:35:51.197631Z",
"structure_string": "Pr4 Si4\n1.0\n3.984458 -0.000000 0.000000\n0.000000 5.985362 0.000000\n0.000000 0.000000 8.352618\nPr Si\n4 4\ndirect\n0.250000 0.386536 0.679383 Pr\n0.750000 0.613464 0.320617 Pr\n0.750000 0.886536 0.820617 Pr\n0.250000 0.113464 0.179383 Pr\n0.250000 0.878043 0.535294 Si\n0.750000 0.121957 0.464707 Si\n0.750000 0.378043 0.964707 Si\n0.250000 0.621957 0.035294 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Si"
],
"chemical_system": "Pr-Si",
"density": 5.63502561912175,
"density_atomic": 0.04016129349181847,
"volume": 199.19677142942956,
"volume_molar": 14.994887456069641,
"formula_full": "Pr4 Si4",
"formula_reduced": "PrSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.242309225,
"spacegroup": 62
},
{
"id": "jvasp-77446",
"created_at": "2022-09-04T14:38:10.074921Z",
"updated_at": "2022-09-04T14:38:10.074945Z",
"structure_string": "Y2 Pt1 Au1\n1.0\n-11.599777 0.729740 1.158273\n-8.656835 -1.551724 2.898520\n-5.481535 4.502104 0.609316\nY Pt Au\n2 1 1\ndirect\n0.766473 0.000001 -0.021965 Y\n0.233529 -0.000003 0.021964 Y\n0.000000 0.000000 0.000000 Pt\n0.500001 -0.000001 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Pt",
"Au"
],
"chemical_system": "Au-Pt-Y",
"density": 9.500949066683354,
"density_atomic": 0.04016132021046681,
"volume": 99.59831945359015,
"volume_molar": 14.994877480224154,
"formula_full": "Y2 Pt1 Au1",
"formula_reduced": "Y2PtAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9448324675,
"spacegroup": 166
},
{
"id": "jvasp-103658",
"created_at": "2022-09-04T14:36:39.953522Z",
"updated_at": "2022-09-04T14:36:39.953543Z",
"structure_string": "Sm1 Hg2\n1.0\n5.009024 -0.000000 0.000000\n-2.504512 4.337941 0.000000\n-0.000000 -0.000000 3.437492\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666666 0.500000 Hg\n0.666666 0.333333 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 12.261614632542335,
"density_atomic": 0.040164540715576506,
"volume": 74.69275003651536,
"volume_molar": 14.993675149046355,
"formula_full": "Sm1 Hg2",
"formula_reduced": "SmHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-103069",
"created_at": "2022-09-04T14:36:41.648632Z",
"updated_at": "2022-09-04T14:36:41.648650Z",
"structure_string": "Mn1 Hg2 S3\n1.0\n4.133577 0.000000 0.000000\n-2.066789 3.579783 0.000000\n-0.000000 -0.000000 10.095220\nMn Hg S\n1 2 3\ndirect\n0.333333 0.666666 0.662339 Mn\n0.000000 0.000000 0.995618 Hg\n0.666667 0.333333 0.345166 Hg\n0.000000 0.000000 0.248674 S\n0.666667 0.333333 0.600566 S\n0.333333 0.666666 0.897638 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Hg",
"S"
],
"chemical_system": "Hg-Mn-S",
"density": 6.139540622901553,
"density_atomic": 0.04016545853516284,
"volume": 149.38208646982835,
"volume_molar": 14.993332529063297,
"formula_full": "Mn1 Hg2 S3",
"formula_reduced": "MnHg2S3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.186327740229885,
"spacegroup": 156
},
{
"id": "jvasp-39866",
"created_at": "2022-09-04T14:37:38.125472Z",
"updated_at": "2022-09-04T14:37:38.125492Z",
"structure_string": "Yb1 Pr1 Ag2\n1.0\n0.000000 3.678935 3.678940\n3.678937 0.000001 3.678939\n3.678938 3.678935 0.000000\nYb Pr Ag\n1 1 2\ndirect\n0.749999 0.750002 0.749999 Yb\n0.250000 0.250001 0.250000 Pr\n0.499999 0.500001 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pr",
"Ag"
],
"chemical_system": "Ag-Pr-Yb",
"density": 8.832199817479104,
"density_atomic": 0.040166397715533535,
"volume": 99.58572905463916,
"volume_molar": 14.99298195135647,
"formula_full": "Yb1 Pr1 Ag2",
"formula_reduced": "YbPrAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-25794",
"created_at": "2022-09-04T14:37:39.128261Z",
"updated_at": "2022-09-04T14:37:39.128280Z",
"structure_string": "Re4 S2 Cl24\n1.0\n0.000000 8.274335 -0.020070\n10.729669 0.000000 0.000000\n0.000000 -0.735802 -8.410948\nRe S Cl\n4 2 24\ndirect\n0.145954 0.250000 0.386612 Re\n0.645393 0.750000 0.395746 Re\n0.854046 0.750000 0.613389 Re\n0.354607 0.250000 0.604254 Re\n0.821252 0.250000 0.066226 S\n0.178748 0.750000 0.933774 S\n0.409372 0.750000 0.869753 Cl\n0.948215 0.404989 0.337431 Cl\n0.336895 0.075801 0.405403 Cl\n0.806167 0.750000 0.885184 Cl\n0.181773 0.898949 0.085233 Cl\n0.051784 0.595011 0.662569 Cl\n0.378058 0.406108 0.790580 Cl\n0.939110 0.750000 0.343475 Cl\n0.663105 0.575801 0.594597 Cl\n0.060890 0.250000 0.656525 Cl\n0.663105 0.924199 0.594597 Cl\n0.818227 0.398949 0.914767 Cl\n0.590628 0.250000 0.130247 Cl\n0.621941 0.593892 0.209420 Cl\n0.818227 0.101051 0.914767 Cl\n0.336895 0.424199 0.405403 Cl\n0.375805 0.750000 0.438039 Cl\n0.948215 0.095011 0.337431 Cl\n0.378058 0.093892 0.790580 Cl\n0.624195 0.250000 0.561961 Cl\n0.181773 0.601051 0.085233 Cl\n0.621941 0.906108 0.209420 Cl\n0.193833 0.250000 0.114816 Cl\n0.051784 0.904989 0.662569 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Re",
"S",
"Cl"
],
"chemical_system": "Cl-Re-S",
"density": 3.690253411008414,
"density_atomic": 0.04016656914655599,
"volume": 746.8897801686479,
"volume_molar": 14.992917961270182,
"formula_full": "Re4 S2 Cl24",
"formula_reduced": "Re2SCl12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 1.3725403206666666,
"spacegroup": 11
},
{
"id": "jvasp-113096",
"created_at": "2022-09-04T14:38:42.227018Z",
"updated_at": "2022-09-04T14:38:42.227034Z",
"structure_string": "Ho4 Fe1 Sn8\n1.0\n4.407680 -0.000000 0.000000\n0.000000 4.441799 0.000000\n-0.000000 -0.000000 16.530861\nHo Fe Sn\n4 1 8\ndirect\n0.000000 0.000000 0.095654 Ho\n-0.000000 0.500000 0.603936 Ho\n0.500000 0.500000 0.394390 Ho\n0.500000 0.000000 0.900637 Ho\n0.000000 0.000000 0.306133 Fe\n0.000000 0.000000 0.454904 Sn\n-0.000000 0.500000 0.933578 Sn\n0.500000 0.500000 0.060162 Sn\n0.500000 0.000000 0.575697 Sn\n-0.000000 0.500000 0.236257 Sn\n0.000000 0.000000 0.751442 Sn\n0.500000 0.000000 0.235722 Sn\n0.500000 0.500000 0.754490 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ho",
"Fe",
"Sn"
],
"chemical_system": "Fe-Ho-Sn",
"density": 8.544037317334954,
"density_atomic": 0.04016788076650416,
"volume": 323.6416697104082,
"volume_molar": 14.992428390750053,
"formula_full": "Ho4 Fe1 Sn8",
"formula_reduced": "Ho4FeSn8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.1318093358974357,
"spacegroup": 25
}
]
}