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=spacegroup&page=3372",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=3370",
"results": [
{
"id": "jvasp-20204",
"created_at": "2022-09-04T14:38:18.967788Z",
"updated_at": "2022-09-04T14:38:18.967807Z",
"structure_string": "Ti6 Al2\n1.0\n2.865499 -4.963190 0.000000\n2.865499 4.963190 0.000000\n-0.000000 -0.000000 4.656414\nTi Al\n6 2\ndirect\n0.169486 0.338972 0.749999 Ti\n0.338972 0.169486 0.250000 Ti\n0.830514 0.169486 0.250000 Ti\n0.169486 0.830514 0.749999 Ti\n0.661028 0.830514 0.749999 Ti\n0.830514 0.661028 0.250000 Ti\n0.666667 0.333333 0.749999 Al\n0.333333 0.666667 0.250000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 4.2773119204467305,
"density_atomic": 0.06040143306498487,
"volume": 132.44718865184765,
"volume_molar": 9.970195166596266,
"formula_full": "Ti6 Al2",
"formula_reduced": "Ti3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2191519500000005,
"spacegroup": 194
},
{
"id": "jvasp-19789",
"created_at": "2022-09-04T14:38:19.187159Z",
"updated_at": "2022-09-04T14:38:19.187187Z",
"structure_string": "Cr2 Sb2\n1.0\n2.004540 -3.471964 -0.000000\n2.004540 3.471964 0.000000\n0.000000 0.000000 5.894456\nCr Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Sb"
],
"chemical_system": "Cr-Sb",
"density": 7.0332408053539215,
"density_atomic": 0.048752436482464925,
"volume": 82.04718140474279,
"volume_molar": 12.35249188451539,
"formula_full": "Cr2 Sb2",
"formula_reduced": "CrSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.20639175,
"spacegroup": 194
},
{
"id": "jvasp-17594",
"created_at": "2022-09-04T14:38:19.227090Z",
"updated_at": "2022-09-04T14:38:19.227116Z",
"structure_string": "Sr2 In4\n1.0\n2.531862 -4.385314 0.000000\n2.531862 4.385314 -0.000000\n-0.000000 -0.000000 8.107932\nSr In\n2 4\ndirect\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.250000 Sr\n0.333333 0.666666 0.953445 In\n0.666666 0.333333 0.453445 In\n0.333333 0.666666 0.546554 In\n0.666666 0.333333 0.046555 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"In"
],
"chemical_system": "In-Sr",
"density": 5.85205121188359,
"density_atomic": 0.033325020940379764,
"volume": 180.04489811827332,
"volume_molar": 18.070928659801684,
"formula_full": "Sr2 In4",
"formula_reduced": "SrIn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-24338",
"created_at": "2022-09-04T14:38:19.377394Z",
"updated_at": "2022-09-04T14:38:19.377414Z",
"structure_string": "Ba10 Al4 In4 Ir2 Cl2 O26\n1.0\n2.954675 -5.117648 0.000000\n2.954675 5.117648 0.000000\n-0.000000 -0.000000 25.475164\nBa Al In Ir Cl O\n10 4 4 2 2 26\ndirect\n0.000000 0.000000 0.750000 Ba\n0.666668 0.333334 0.039819 Ba\n0.333334 0.666668 0.539819 Ba\n0.333334 0.666668 0.368888 Ba\n0.666668 0.333334 0.631112 Ba\n0.666668 0.333334 0.868888 Ba\n0.333334 0.666668 0.960181 Ba\n0.333334 0.666668 0.131112 Ba\n0.666668 0.333334 0.460181 Ba\n0.000000 0.000000 0.250000 Ba\n0.333334 0.666668 0.681827 Al\n0.666668 0.333334 0.181828 Al\n0.666668 0.333334 0.318172 Al\n0.333334 0.666668 0.818172 Al\n0.000000 0.000000 0.612157 In\n0.000000 0.000000 0.387842 In\n0.000000 0.000000 0.887842 In\n0.000000 0.000000 0.112158 In\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.666668 0.333334 0.750000 Cl\n0.333334 0.666668 0.250000 Cl\n0.666668 0.333334 0.250000 O\n0.173037 0.346074 0.844530 O\n0.173037 0.346074 0.655469 O\n0.826964 0.653927 0.344530 O\n0.687899 0.843950 0.047621 O\n0.826964 0.173038 0.155469 O\n0.843950 0.156052 0.547621 O\n0.653927 0.826964 0.655469 O\n0.346074 0.173037 0.155469 O\n0.843950 0.687899 0.952379 O\n0.312102 0.156051 0.952379 O\n0.687899 0.843950 0.452379 O\n0.333334 0.666668 0.750000 O\n0.312102 0.156051 0.547621 O\n0.843950 0.156052 0.952379 O\n0.156051 0.312102 0.452379 O\n0.346074 0.173037 0.344530 O\n0.156052 0.843950 0.047621 O\n0.156052 0.843950 0.452379 O\n0.826964 0.173038 0.344530 O\n0.173038 0.826964 0.844530 O\n0.843950 0.687899 0.547621 O\n0.156051 0.312102 0.047621 O\n0.826964 0.653927 0.155469 O\n0.173038 0.826964 0.655469 O\n0.653927 0.826964 0.844530 O\n",
"nsites": 48,
"nelements": 6,
"elements": [
"Ba",
"Al",
"In",
"Ir",
"Cl",
"O"
],
"chemical_system": "Al-Ba-Cl-In-Ir-O",
"density": 6.06045542354921,
"density_atomic": 0.06230374101102653,
"volume": 770.4192271777862,
"volume_molar": 9.665777146406345,
"formula_full": "Ba10 Al4 In4 Ir2 Cl2 O26",
"formula_reduced": "Ba5Al2In2IrClO13",
"formula_anonymous": "ABC2D2E5F13",
"energy_above_hull": 1.873534002395833,
"spacegroup": 194
},
{
"id": "jvasp-108825",
"created_at": "2022-09-04T14:38:19.533295Z",
"updated_at": "2022-09-04T14:38:19.533323Z",
"structure_string": "Mn2 In2 O6\n1.0\n3.392946 0.000487 -0.000003\n-1.697496 2.937807 0.000011\n0.000010 -0.000044 11.868950\nMn In O\n2 2 6\ndirect\n0.333292 0.666697 0.750000 Mn\n0.666709 0.333305 0.250001 Mn\n-0.000000 0.000001 0.500000 In\n1.000001 0.000001 0.000001 In\n0.333303 0.666697 0.587136 O\n0.666698 0.333306 0.412864 O\n0.666697 0.333305 0.087136 O\n0.333303 0.666697 0.912865 O\n0.000095 0.999919 0.750000 O\n0.999907 0.000082 0.250000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"In",
"O"
],
"chemical_system": "In-Mn-O",
"density": 6.11219494238927,
"density_atomic": 0.08451844029113764,
"volume": 118.31737506694822,
"volume_molar": 7.125238870068766,
"formula_full": "Mn2 In2 O6",
"formula_reduced": "MnInO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9861015422758617,
"spacegroup": 194
},
{
"id": "jvasp-110052",
"created_at": "2022-09-04T14:38:19.661534Z",
"updated_at": "2022-09-04T14:38:19.661554Z",
"structure_string": "Tm2 Lu6\n1.0\n6.990563 0.000000 0.000000\n-3.495282 6.054005 0.000000\n-0.000000 0.000000 5.434524\nTm Lu\n2 6\ndirect\n0.333334 0.666667 0.749999 Tm\n0.666667 0.333334 0.250000 Tm\n0.166388 0.332777 0.250000 Lu\n0.667224 0.833612 0.250000 Lu\n0.166389 0.833612 0.250000 Lu\n0.833612 0.667224 0.749999 Lu\n0.332777 0.166388 0.749999 Lu\n0.833611 0.166388 0.749999 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Lu"
],
"chemical_system": "Lu-Tm",
"density": 10.018875687200385,
"density_atomic": 0.03478352138751388,
"volume": 229.99396498342264,
"volume_molar": 17.313200388508527,
"formula_full": "Tm2 Lu6",
"formula_reduced": "TmLu3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.337677875,
"spacegroup": 194
},
{
"id": "jvasp-22909",
"created_at": "2022-09-04T14:38:20.311624Z",
"updated_at": "2022-09-04T14:38:20.311649Z",
"structure_string": "Ba6 Ca2 Ir4 O18\n1.0\n5.940578 -0.002137 -0.038606\n-2.968083 5.145966 -0.038606\n0.049977 0.086483 14.669669\nBa Ca Ir O\n6 2 4 18\ndirect\n0.334599 0.667985 0.088251 Ba\n0.332016 0.665402 0.411748 Ba\n0.999831 0.000168 0.250000 Ba\n0.000170 0.999831 0.750000 Ba\n0.667985 0.334597 0.588251 Ba\n0.665403 0.332014 0.911748 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 -0.000000 0.500000 Ca\n0.336097 0.669332 0.663211 Ir\n0.663904 0.330668 0.336788 Ir\n0.669332 0.336096 0.163211 Ir\n0.330669 0.663904 0.836788 Ir\n0.981192 0.490772 0.251871 O\n0.509228 0.018809 0.248129 O\n0.018810 0.509228 0.748129 O\n0.351151 0.172985 0.410032 O\n0.490730 0.509270 0.750000 O\n0.173134 0.816560 0.911899 O\n0.183441 0.826867 0.588100 O\n0.826867 0.183439 0.088100 O\n0.816561 0.173133 0.411899 O\n0.637811 0.816348 0.913932 O\n0.183653 0.362190 0.586068 O\n0.362190 0.183652 0.086068 O\n0.816349 0.637810 0.413932 O\n0.172985 0.351151 0.910032 O\n0.648850 0.827015 0.589967 O\n0.827016 0.648849 0.089967 O\n0.509271 0.490729 0.250000 O\n0.490773 0.981191 0.751871 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ir",
"O"
],
"chemical_system": "Ba-Ca-Ir-O",
"density": 7.262011915750071,
"density_atomic": 0.06690475938587699,
"volume": 448.3985933941306,
"volume_molar": 9.001064820018202,
"formula_full": "Ba6 Ca2 Ir4 O18",
"formula_reduced": "Ba3CaIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.319828135333333,
"spacegroup": 194
},
{
"id": "jvasp-108898",
"created_at": "2022-09-04T14:38:19.809961Z",
"updated_at": "2022-09-04T14:38:19.809994Z",
"structure_string": "Zr2 Mn6\n1.0\n5.518982 0.000000 0.000000\n-2.759491 4.779578 0.000000\n-0.000000 -0.000000 4.355475\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.749999 Zr\n0.666667 0.333333 0.250000 Zr\n0.147826 0.295654 0.250000 Mn\n0.704346 0.852174 0.250000 Mn\n0.147827 0.852174 0.250000 Mn\n0.852174 0.704346 0.749999 Mn\n0.295654 0.147826 0.749999 Mn\n0.852173 0.147826 0.749999 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.401158277047511,
"density_atomic": 0.06963152882959706,
"volume": 114.89048329784164,
"volume_molar": 8.648583280050392,
"formula_full": "Zr2 Mn6",
"formula_reduced": "ZrMn3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.290134056034482,
"spacegroup": 194
},
{
"id": "jvasp-17375",
"created_at": "2022-09-04T14:38:19.832732Z",
"updated_at": "2022-09-04T14:38:19.832754Z",
"structure_string": "Ca2 Sb2 Au2\n1.0\n2.342911 -4.058041 -0.000000\n2.342911 4.058041 0.000000\n0.000000 0.000000 8.103456\nCa Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 7.7332947229449465,
"density_atomic": 0.03893845848119644,
"volume": 154.0893048680247,
"volume_molar": 15.46579139209663,
"formula_full": "Ca2 Sb2 Au2",
"formula_reduced": "CaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1940546966666668,
"spacegroup": 194
},
{
"id": "jvasp-110028",
"created_at": "2022-09-04T14:38:20.063076Z",
"updated_at": "2022-09-04T14:38:20.063101Z",
"structure_string": "Pu2 Al6\n1.0\n6.190638 -0.000000 0.000000\n-3.095319 5.361249 0.000000\n-0.000000 0.000000 4.685519\nPu Al\n2 6\ndirect\n0.333333 0.666667 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.153702 0.307405 0.250000 Al\n0.692595 0.846298 0.250000 Al\n0.153702 0.846298 0.250000 Al\n0.846298 0.692595 0.750000 Al\n0.307405 0.153702 0.750000 Al\n0.846298 0.153702 0.750000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Al"
],
"chemical_system": "Al-Pu",
"density": 6.939518656068507,
"density_atomic": 0.05144354592864445,
"volume": 155.51027549882585,
"volume_molar": 11.706309608503856,
"formula_full": "Pu2 Al6",
"formula_reduced": "PuAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1600671,
"spacegroup": 194
},
{
"id": "jvasp-56551",
"created_at": "2022-09-04T14:38:20.285674Z",
"updated_at": "2022-09-04T14:38:20.285697Z",
"structure_string": "Ta2 N2\n1.0\n1.461221 -2.530910 0.000000\n1.461221 2.530910 0.000000\n-0.000000 -0.000000 5.920665\nTa N\n2 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.333333 0.666667 0.750001 N\n0.666667 0.333333 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 14.784935840675361,
"density_atomic": 0.09134123937061159,
"volume": 43.79182970980107,
"volume_molar": 6.5930140662592995,
"formula_full": "Ta2 N2",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy_above_hull": 3.408351225,
"spacegroup": 194
},
{
"id": "jvasp-849",
"created_at": "2022-09-04T14:38:20.448395Z",
"updated_at": "2022-09-04T14:38:20.448411Z",
"structure_string": "Cd2\n1.0\n1.510358 -2.616016 0.000000\n1.510358 2.616016 0.000000\n0.000000 0.000000 5.730476\nCd\n2\ndirect\n0.333334 0.666668 0.250000 Cd\n0.666668 0.333334 0.750001 Cd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.244169544109175,
"density_atomic": 0.044166095365300195,
"volume": 45.283604617023315,
"volume_molar": 13.635212056195014,
"formula_full": "Cd2",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy_above_hull": 0.0099200000000001,
"spacegroup": 194
}
]
}