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=formula_anonymous&page=3613",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3611",
"results": [
{
"id": "jvasp-41505",
"created_at": "2022-09-04T14:37:50.996411Z",
"updated_at": "2022-09-04T14:37:50.996444Z",
"structure_string": "Tm2 Mg1 Os1\n1.0\n-0.000000 3.472470 3.472470\n3.472470 -0.000000 3.472470\n3.472470 3.472470 -0.000000\nTm Mg Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.499999 Tm\n0.250001 0.250001 0.250001 Mg\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Os"
],
"chemical_system": "Mg-Os-Tm",
"density": 10.953677578439143,
"density_atomic": 0.047765517628266974,
"volume": 83.74241918887644,
"volume_molar": 12.607715898458473,
"formula_full": "Tm2 Mg1 Os1",
"formula_reduced": "Tm2MgOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8829606375,
"spacegroup": 225
},
{
"id": "jvasp-46782",
"created_at": "2022-09-04T14:38:04.924838Z",
"updated_at": "2022-09-04T14:38:04.924864Z",
"structure_string": "Mn4 O4 F8\n1.0\n0.000000 5.661465 -0.296244\n4.872729 0.000000 0.000000\n0.000000 -1.912220 -7.144620\nMn O F\n4 4 8\ndirect\n0.393135 0.996410 0.689613 Mn\n0.893135 0.503590 0.689613 Mn\n0.106866 0.496410 0.310386 Mn\n0.606866 0.003590 0.310386 Mn\n-0.002548 0.396643 0.939518 O\n0.497453 0.103358 0.939518 O\n0.502548 0.896643 0.060482 O\n0.002548 0.603358 0.060482 O\n0.096109 0.835527 0.732932 F\n0.596109 0.664473 0.732932 F\n0.181846 0.337414 0.585666 F\n0.681846 0.162586 0.585666 F\n0.318155 0.837414 0.414333 F\n0.818155 0.662586 0.414333 F\n0.403892 0.335527 0.267068 F\n0.903892 0.164473 0.267068 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.620372653750341,
"density_atomic": 0.08005707461840139,
"volume": 199.85741517867487,
"volume_molar": 7.522309288348379,
"formula_full": "Mn4 O4 F8",
"formula_reduced": "MnOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1150103265948277,
"spacegroup": 14
},
{
"id": "jvasp-37161",
"created_at": "2022-09-04T14:38:02.445892Z",
"updated_at": "2022-09-04T14:38:02.445915Z",
"structure_string": "Na1 Pr1 Se2\n1.0\n-2.148613 -3.721508 -0.000000\n-4.297227 0.000000 -0.000000\n-2.148613 -1.240502 -6.921888\nNa Pr Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.747189 0.747188 0.758433 Se\n0.252811 0.252811 0.241568 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Pr",
"Se"
],
"chemical_system": "Na-Pr-Se",
"density": 4.827550490504831,
"density_atomic": 0.03613500929181134,
"volume": 110.69597264242164,
"volume_molar": 16.665668220444307,
"formula_full": "Na1 Pr1 Se2",
"formula_reduced": "NaPrSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5011513958333333,
"spacegroup": 166
},
{
"id": "jvasp-36820",
"created_at": "2022-09-04T14:38:02.450870Z",
"updated_at": "2022-09-04T14:38:02.450895Z",
"structure_string": "Au2 Br2 O4\n1.0\n-2.179247 2.985111 -0.044083\n3.434401 2.665063 -0.982431\n-3.374354 -2.681929 -8.962433\nAu Br O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Au\n0.500000 -0.000000 0.500000 Au\n0.249999 0.356760 0.713520 Br\n0.750000 0.643239 0.286480 Br\n0.255285 0.894528 0.066935 O\n0.755284 0.827592 0.933064 O\n0.744714 0.105471 0.933064 O\n0.244715 0.172406 0.066935 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Au",
"Br",
"O"
],
"chemical_system": "Au-Br-O",
"density": 6.427868134516859,
"density_atomic": 0.050130612603616675,
"volume": 159.58312864149678,
"volume_molar": 12.012900795003514,
"formula_full": "Au2 Br2 O4",
"formula_reduced": "AuBrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.28718216875,
"spacegroup": 15
},
{
"id": "jvasp-40072",
"created_at": "2022-09-04T14:38:02.457867Z",
"updated_at": "2022-09-04T14:38:02.457891Z",
"structure_string": "Li2 Pr1 In1\n1.0\n0.000063 3.498029 3.498042\n3.498059 0.000046 3.498059\n3.498042 3.498029 0.000063\nLi Pr In\n2 1 1\ndirect\n-0.000000 -0.000000 -0.000000 Li\n0.500001 0.499999 0.500000 Li\n0.750001 0.749998 0.750001 Pr\n0.250000 0.249999 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pr",
"In"
],
"chemical_system": "In-Li-Pr",
"density": 5.22981630355647,
"density_atomic": 0.04672670072951394,
"volume": 85.60416073787731,
"volume_molar": 12.888007640129066,
"formula_full": "Li2 Pr1 In1",
"formula_reduced": "Li2PrIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5631599550000002,
"spacegroup": 225
},
{
"id": "jvasp-39843",
"created_at": "2022-09-04T14:37:51.040685Z",
"updated_at": "2022-09-04T14:37:51.040708Z",
"structure_string": "Mg1 Al1 Ag2\n1.0\n-0.000000 3.250526 3.250526\n3.250526 0.000000 3.250526\n3.250526 3.250526 -0.000000\nMg Al Ag\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Mg\n0.250000 0.250000 0.250000 Al\n0.500002 0.500002 0.500002 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Mg",
"density": 6.455155971334285,
"density_atomic": 0.05823298643087223,
"volume": 68.68959064547305,
"volume_molar": 10.34145959034545,
"formula_full": "Mg1 Al1 Ag2",
"formula_reduced": "MgAlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0273890925,
"spacegroup": 225
},
{
"id": "jvasp-38847",
"created_at": "2022-09-04T14:38:02.493514Z",
"updated_at": "2022-09-04T14:38:02.493533Z",
"structure_string": "Er1 Zn1 Rh2\n1.0\n0.000003 3.203659 3.203641\n3.203658 -0.000000 3.203646\n3.203657 3.203662 0.000001\nEr Zn Rh\n1 1 2\ndirect\n0.249999 0.250001 0.250000 Er\n0.749999 0.749999 0.749998 Zn\n0.000002 1.000000 -0.000000 Rh\n0.499998 0.499999 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Zn",
"Rh"
],
"chemical_system": "Er-Rh-Zn",
"density": 11.072136292102869,
"density_atomic": 0.06082659674738396,
"volume": 65.76070689294372,
"volume_molar": 9.900505834660231,
"formula_full": "Er1 Zn1 Rh2",
"formula_reduced": "ErZnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2115216000000002,
"spacegroup": 225
},
{
"id": "jvasp-40365",
"created_at": "2022-09-04T14:37:50.932268Z",
"updated_at": "2022-09-04T14:37:50.932289Z",
"structure_string": "Ca1 Mg1 Tl2\n1.0\n0.000000 3.739681 3.739681\n3.739681 0.000000 3.739681\n3.739681 3.739681 0.000000\nCa Mg Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750001 0.750001 Mg\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Tl"
],
"chemical_system": "Ca-Mg-Tl",
"density": 7.511279202931382,
"density_atomic": 0.038240743023640125,
"volume": 104.60047801705191,
"volume_molar": 15.747970054549306,
"formula_full": "Ca1 Mg1 Tl2",
"formula_reduced": "CaMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37235",
"created_at": "2022-09-04T14:37:50.928490Z",
"updated_at": "2022-09-04T14:37:50.928511Z",
"structure_string": "Sm1 Dy1 Ru2\n1.0\n0.000000 3.422632 3.422632\n3.422632 0.000000 3.422632\n3.422632 3.422632 0.000000\nSm Dy Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Dy",
"Ru"
],
"chemical_system": "Dy-Ru-Sm",
"density": 10.664628006424994,
"density_atomic": 0.049882633809649635,
"volume": 80.18822773600645,
"volume_molar": 12.072619868029175,
"formula_full": "Sm1 Dy1 Ru2",
"formula_reduced": "SmDyRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.90453409375,
"spacegroup": 225
},
{
"id": "jvasp-36804",
"created_at": "2022-09-04T14:38:02.505440Z",
"updated_at": "2022-09-04T14:38:02.505450Z",
"structure_string": "Ag2 Pb2 O4\n1.0\n1.511700 3.053280 0.929305\n5.617187 -3.055817 0.902568\n0.008030 -0.004253 -6.709145\nAg Pb O\n2 2 4\ndirect\n0.749923 0.799614 0.499847 Ag\n0.250077 0.200386 0.500154 Ag\n0.500000 -0.000000 0.000000 Pb\n-0.000000 0.500000 -0.000000 Pb\n0.911449 0.828890 0.822898 O\n0.410847 0.262602 0.821694 O\n0.589153 0.737399 0.178307 O\n0.088552 0.171111 0.177103 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 7.889973111070668,
"density_atomic": 0.05476121749852643,
"volume": 146.08878993998394,
"volume_molar": 10.99709070595819,
"formula_full": "Ag2 Pb2 O4",
"formula_reduced": "AgPbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.01141877,
"spacegroup": 12
},
{
"id": "jvasp-37059",
"created_at": "2022-09-04T14:38:02.526255Z",
"updated_at": "2022-09-04T14:38:02.526288Z",
"structure_string": "Ti2 Mn1 Sn1\n1.0\n3.160014 3.160014 -0.000000\n3.160014 -0.000000 -3.160014\n0.000000 3.160014 -3.160014\nTi Mn Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Ti",
"density": 7.0879513371283425,
"density_atomic": 0.06338156749380679,
"volume": 63.109830794116164,
"volume_molar": 9.501407109548753,
"formula_full": "Ti2 Mn1 Sn1",
"formula_reduced": "Ti2MnSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0545714020114945,
"spacegroup": 216
},
{
"id": "jvasp-36845",
"created_at": "2022-09-04T14:38:02.537822Z",
"updated_at": "2022-09-04T14:38:02.537853Z",
"structure_string": "Cu2 O4 F2\n1.0\n3.010944 0.000000 0.739303\n0.444243 4.392502 -1.809265\n-3.004740 0.075357 5.736387\nCu O F\n2 4 2\ndirect\n0.852428 0.446528 0.704860 Cu\n0.147569 0.741668 0.295139 Cu\n0.055434 0.308718 0.110867 O\n0.944565 0.197851 0.889133 O\n0.442463 0.711810 0.884927 O\n0.557534 0.826883 0.115072 O\n0.745083 0.673297 0.490170 F\n0.254914 0.183127 0.509830 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O",
"density": 4.420259792979948,
"density_atomic": 0.09295855514644039,
"volume": 86.05985739986343,
"volume_molar": 6.478307188093816,
"formula_full": "Cu2 O4 F2",
"formula_reduced": "CuO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9623780852272728,
"spacegroup": 44
}
]
}