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=-id&page=676",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=674",
"results": [
{
"id": "jvasp-80209",
"created_at": "2022-09-04T14:37:06.769160Z",
"updated_at": "2022-09-04T14:37:06.769174Z",
"structure_string": "Sc2 Al1 Hg1\n1.0\n-10.162927 0.000000 -5.867569\n-6.605436 0.208367 -0.294187\n-5.687679 2.804174 -1.883788\nSc Al Hg\n2 1 1\ndirect\n0.747827 0.000000 -0.000000 Sc\n0.252173 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Hg"
],
"chemical_system": "Al-Hg-Sc",
"density": 5.416269013012284,
"density_atomic": 0.04109511016204435,
"volume": 97.33518134462675,
"volume_molar": 14.654154073936708,
"formula_full": "Sc2 Al1 Hg1",
"formula_reduced": "Sc2AlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3934219750000003,
"spacegroup": 71
},
{
"id": "jvasp-80202",
"created_at": "2022-09-04T14:37:15.933247Z",
"updated_at": "2022-09-04T14:37:15.933263Z",
"structure_string": "K2 Hg1 Se1\n1.0\n-9.382682 -2.591309 -9.648683\n-5.016922 -2.267782 -1.001709\n-3.400894 2.303035 -3.800751\nK Hg Se\n2 1 1\ndirect\n0.750020 0.000021 0.000021 K\n0.249980 -0.000021 -0.000021 K\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Hg",
"Se"
],
"chemical_system": "Hg-K-Se",
"density": 4.792150917744422,
"density_atomic": 0.03226754063327859,
"volume": 123.96358450308009,
"volume_molar": 18.663153874792574,
"formula_full": "K2 Hg1 Se1",
"formula_reduced": "K2HgSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-80200",
"created_at": "2022-09-04T14:37:17.668669Z",
"updated_at": "2022-09-04T14:37:17.668693Z",
"structure_string": "Zr2 Zn1 Cd1\n1.0\n-11.564465 2.619223 -2.399575\n-8.026151 0.668089 0.856090\n-6.756268 4.259864 -1.343413\nZr Zn Cd\n2 1 1\ndirect\n0.750054 -0.000036 -0.000036 Zr\n0.249948 0.000034 0.000034 Zr\n0.000000 0.000000 0.000000 Zn\n0.500001 -0.000001 -0.000001 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Cd"
],
"chemical_system": "Cd-Zn-Zr",
"density": 7.443297347330613,
"density_atomic": 0.0497680441889371,
"volume": 80.37285903409395,
"volume_molar": 12.100416759673786,
"formula_full": "Zr2 Zn1 Cd1",
"formula_reduced": "Zr2ZnCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2422147875,
"spacegroup": 139
},
{
"id": "jvasp-8020",
"created_at": "2022-09-04T14:37:17.055560Z",
"updated_at": "2022-09-04T14:37:17.055586Z",
"structure_string": "Nd2 O3\n1.0\n1.929742 -3.342411 0.000000\n1.929742 3.342411 -0.000000\n-0.000000 0.000000 6.042254\nNd O\n2 3\ndirect\n0.666666 0.333333 0.752713 Nd\n0.333333 0.666666 0.247287 Nd\n0.666666 0.333333 0.354361 O\n0.333333 0.666666 0.645639 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 7.16841463289908,
"density_atomic": 0.06414782410522807,
"volume": 77.94496648550388,
"volume_molar": 9.387911194183737,
"formula_full": "Nd2 O3",
"formula_reduced": "Nd2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6285827,
"spacegroup": 164
},
{
"id": "jvasp-802",
"created_at": "2022-09-04T14:37:46.421677Z",
"updated_at": "2022-09-04T14:37:46.421712Z",
"structure_string": "Hf2\n1.0\n1.590041 -2.754031 0.000000\n1.590041 2.754031 0.000000\n0.000000 0.000000 5.033404\nHf\n2\ndirect\n0.333333 0.666667 0.749999 Hf\n0.666667 0.333333 0.250000 Hf\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.44695803893739,
"density_atomic": 0.04536919386647952,
"volume": 44.082775768199745,
"volume_molar": 13.2736340383808,
"formula_full": "Hf2",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy_above_hull": 3.000000000419334e-06,
"spacegroup": 194
},
{
"id": "jvasp-80199",
"created_at": "2022-09-04T14:37:15.102660Z",
"updated_at": "2022-09-04T14:37:15.102677Z",
"structure_string": "K1 Tl2 In1\n1.0\n-13.129267 1.769079 -4.691298\n-8.316533 -0.140972 -0.028631\n-6.872254 3.944068 -2.530197\nK Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.659192 0.056014 0.056014 Tl\n0.340808 -0.056014 -0.056014 Tl\n0.500000 -0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Tl",
"In"
],
"chemical_system": "In-K-Tl",
"density": 8.09803431982038,
"density_atomic": 0.03466784049781658,
"volume": 115.38070853452567,
"volume_molar": 17.37097169458617,
"formula_full": "K1 Tl2 In1",
"formula_reduced": "KTl2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-80196",
"created_at": "2022-09-04T14:37:17.378793Z",
"updated_at": "2022-09-04T14:37:17.378819Z",
"structure_string": "Li1 Mg1 Hg2\n1.0\n-9.672411 0.000000 -5.584370\n-6.420748 0.169151 -0.047676\n-5.444125 2.931459 -1.739238\nLi Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 0.000000 Mg\n0.763261 -0.000000 0.000000 Hg\n0.236739 -0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Hg"
],
"chemical_system": "Hg-Li-Mg",
"density": 7.077196463836273,
"density_atomic": 0.03942396923970788,
"volume": 101.46111812534578,
"volume_molar": 15.27532837544549,
"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-80193",
"created_at": "2022-09-04T14:37:17.508090Z",
"updated_at": "2022-09-04T14:37:17.508103Z",
"structure_string": "Ca2 Mg1 Al1\n1.0\n-16.604613 1.737177 -6.749324\n-10.056560 0.122917 -1.258528\n-8.801888 3.671910 -3.431803\nCa Mg Al\n2 1 1\ndirect\n0.488856 0.174131 0.174132 Ca\n0.511143 0.825869 0.825871 Ca\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000000 0.000001 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Al"
],
"chemical_system": "Al-Ca-Mg",
"density": 1.6599461408648282,
"density_atomic": 0.03042068244948317,
"volume": 131.48948931840803,
"volume_molar": 19.796205328399243,
"formula_full": "Ca2 Mg1 Al1",
"formula_reduced": "Ca2MgAl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0034956725,
"spacegroup": 71
},
{
"id": "jvasp-80190",
"created_at": "2022-09-04T14:37:15.584006Z",
"updated_at": "2022-09-04T14:37:15.584022Z",
"structure_string": "Hf1 Tl1 Au2\n1.0\n-10.102861 0.001585 -5.834180\n-3.553191 -0.349418 -5.512598\n-4.386649 -2.707970 -4.068045\nHf Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 -0.000000 0.000001 Tl\n0.770162 -0.000036 0.000037 Au\n0.229838 0.000035 -0.000035 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tl",
"Au"
],
"chemical_system": "Au-Hf-Tl",
"density": 14.448629485491097,
"density_atomic": 0.0448048194887814,
"volume": 89.27611015153299,
"volume_molar": 13.440832545944915,
"formula_full": "Hf1 Tl1 Au2",
"formula_reduced": "HfTlAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.456057685,
"spacegroup": 71
},
{
"id": "jvasp-8019",
"created_at": "2022-09-04T14:36:42.498781Z",
"updated_at": "2022-09-04T14:36:42.498792Z",
"structure_string": "Ce1 Ag1\n1.0\n3.684058 -0.000000 0.000000\n-0.000000 3.684058 0.000000\n0.000000 -0.000000 3.684058\nCe Ag\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Ag"
],
"chemical_system": "Ag-Ce",
"density": 8.235571309094523,
"density_atomic": 0.03999913678333048,
"volume": 50.00107904412312,
"volume_molar": 15.055676807779783,
"formula_full": "Ce1 Ag1",
"formula_reduced": "CeAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.60519638,
"spacegroup": 221
},
{
"id": "jvasp-80184",
"created_at": "2022-09-04T14:37:15.714123Z",
"updated_at": "2022-09-04T14:37:15.714151Z",
"structure_string": "Ti2 Os1 Rh1\n1.0\n-8.342774 0.000001 -4.816701\n-5.551369 0.273823 -0.018148\n-4.760461 2.510848 -1.388041\nTi Os Rh\n2 1 1\ndirect\n0.752007 -0.000000 -0.000000 Ti\n0.247993 -0.000000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Ti",
"density": 10.145005511809464,
"density_atomic": 0.0628433458774272,
"volume": 63.65033471963444,
"volume_molar": 9.582781877568843,
"formula_full": "Ti2 Os1 Rh1",
"formula_reduced": "Ti2OsRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.153638666666667,
"spacegroup": 71
},
{
"id": "jvasp-8018",
"created_at": "2022-09-04T14:36:35.922243Z",
"updated_at": "2022-09-04T14:36:35.922269Z",
"structure_string": "Mn2 Ir2\n1.0\n3.658031 0.000000 0.000000\n0.000000 3.764966 0.000000\n0.000000 0.000000 3.764966\nMn Ir\n2 2\ndirect\n0.500000 0.500001 0.000000 Mn\n0.500000 0.000000 0.500001 Mn\n0.000000 0.500001 0.500001 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn",
"density": 15.829932906936875,
"density_atomic": 0.07714192863825528,
"volume": 51.85247595710705,
"volume_molar": 7.806572724205361,
"formula_full": "Mn2 Ir2",
"formula_reduced": "MnIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.884284170689656,
"spacegroup": 123
}
]
}