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{
"id": "jvasp-41805",
"created_at": "2022-09-04T14:37:34.545752Z",
"updated_at": "2022-09-04T14:37:34.545772Z",
"structure_string": "Li1 Lu2 Ir1\n1.0\n-0.000000 3.377564 3.377564\n3.377564 -0.000000 3.377564\n3.377564 3.377564 0.000000\nLi Lu Ir\n1 2 1\ndirect\n0.749998 0.749998 0.749998 Li\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Ir\n",
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{
"id": "jvasp-78921",
"created_at": "2022-09-04T14:37:17.701892Z",
"updated_at": "2022-09-04T14:37:17.701918Z",
"structure_string": "Li1 Ir3\n1.0\n2.609891 -0.000004 -0.706742\n-0.582750 4.150642 -2.152003\n-0.004089 -0.000764 5.157265\nLi Ir\n1 3\ndirect\n-0.000001 0.016922 0.000002 Li\n0.240711 0.933867 0.481418 Ir\n0.759291 0.452449 0.518583 Ir\n0.499998 0.500765 1.000001 Ir\n",
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"elements": [
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"volume": 55.850611692493715,
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"formula_full": "Li1 Ir3",
"formula_reduced": "LiIr3",
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{
"id": "jvasp-8021",
"created_at": "2022-09-04T14:36:51.185784Z",
"updated_at": "2022-09-04T14:36:51.185801Z",
"structure_string": "Li1 Ir1\n1.0\n1.336618 -2.315090 -0.000000\n1.336618 2.315090 0.000000\n-0.000000 0.000000 4.348276\nLi Ir\n1 1\ndirect\n0.333334 0.666668 0.500000 Li\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Ir-Li",
"density": 12.289227138017843,
"density_atomic": 0.07432034433196838,
"volume": 26.910531940844546,
"volume_molar": 8.102950563712092,
"formula_full": "Li1 Ir1",
"formula_reduced": "LiIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.6212405499999998,
"spacegroup": 187
},
{
"id": "jvasp-40238",
"created_at": "2022-09-04T14:37:49.716212Z",
"updated_at": "2022-09-04T14:37:49.716246Z",
"structure_string": "La2 Zn1 Ir1\n1.0\n0.000000 3.660315 3.660315\n3.660315 -0.000000 3.660315\n3.660315 3.660315 0.000000\nLa Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.499998 0.499998 0.499998 La\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ir"
],
"chemical_system": "Ir-La-Zn",
"density": 9.065088473021012,
"density_atomic": 0.04078257193480267,
"volume": 98.08111186304353,
"volume_molar": 14.766456538413848,
"formula_full": "La2 Zn1 Ir1",
"formula_reduced": "La2ZnIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-15240",
"created_at": "2022-09-04T14:36:37.154297Z",
"updated_at": "2022-09-04T14:36:37.154315Z",
"structure_string": "La1 Si2 Ir2\n1.0\n3.899898 0.000000 -1.446802\n-0.536741 3.862786 -1.446802\n-0.008858 -0.010174 5.955671\nLa Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.627121 0.627121 0.254240 Si\n0.372880 0.372881 0.745761 Si\n0.750000 0.250001 0.500000 Ir\n0.250000 0.750001 0.500001 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-La-Si",
"density": 10.739446489946058,
"density_atomic": 0.05580094046384804,
"volume": 89.60422456032562,
"volume_molar": 10.792185059858602,
"formula_full": "La1 Si2 Ir2",
"formula_reduced": "La(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.50463688,
"spacegroup": 139
},
{
"id": "jvasp-100190",
"created_at": "2022-09-04T14:36:49.811141Z",
"updated_at": "2022-09-04T14:36:49.811149Z",
"structure_string": "La1 Pr1 Ir2\n1.0\n4.393488 0.000000 2.536582\n1.464496 4.142221 2.536582\n0.000000 0.000000 5.073164\nLa Pr Ir\n1 1 2\ndirect\n0.500001 0.500000 0.499999 La\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750000 0.749999 Ir\n",
"nsites": 4,
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"elements": [
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"Pr",
"Ir"
],
"chemical_system": "Ir-La-Pr",
"density": 11.946953269569201,
"density_atomic": 0.043324980779653834,
"volume": 92.32548815990404,
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"formula_full": "La1 Pr1 Ir2",
"formula_reduced": "LaPrIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0353467625,
"spacegroup": 225
},
{
"id": "jvasp-109975",
"created_at": "2022-09-04T14:38:17.441722Z",
"updated_at": "2022-09-04T14:38:17.441751Z",
"structure_string": "La1 Pm1 Ir2\n1.0\n4.358849 -0.000000 2.516583\n1.452950 4.109562 2.516583\n-0.000000 -0.000000 5.033165\nLa Pm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"Pm",
"Ir"
],
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"density": 12.309422494724371,
"density_atomic": 0.04436612128453699,
"volume": 90.15888439619191,
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"formula_full": "La1 Pm1 Ir2",
"formula_reduced": "LaPmIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-100988",
"created_at": "2022-09-04T14:36:49.028665Z",
"updated_at": "2022-09-04T14:36:49.028690Z",
"structure_string": "La1 Nd1 Ir2\n1.0\n4.375145 0.000000 2.525991\n1.458382 4.124926 2.525991\n-0.000000 -0.000000 5.051982\nLa Nd Ir\n1 1 2\ndirect\n0.499999 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Ir\n0.749999 0.750001 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"Nd",
"Ir"
],
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"density": 12.158582997573497,
"density_atomic": 0.043872217291372,
"volume": 91.1738737396035,
"volume_molar": 13.726547532358994,
"formula_full": "La1 Nd1 Ir2",
"formula_reduced": "LaNdIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40529",
"created_at": "2022-09-04T14:37:51.748822Z",
"updated_at": "2022-09-04T14:37:51.748847Z",
"structure_string": "Li1 La2 Ir1\n1.0\n-0.000000 3.647898 3.647898\n3.647898 0.000000 3.647898\n3.647898 3.647898 0.000000\nLi La Ir\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.250001 0.250001 0.250001 Ir\n",
"nsites": 4,
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"elements": [
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"La",
"Ir"
],
"chemical_system": "Ir-La-Li",
"density": 8.157951922536622,
"density_atomic": 0.041200447817676226,
"volume": 97.08632337447264,
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"formula_full": "Li1 La2 Ir1",
"formula_reduced": "LiLa2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-119404",
"created_at": "2022-09-04T14:38:51.138185Z",
"updated_at": "2022-09-04T14:38:51.138210Z",
"structure_string": "La3 Ir9\n1.0\n5.212636 0.014130 7.887644\n2.381343 4.636915 7.887644\n0.023070 0.014130 9.454416\nLa Ir\n3 9\ndirect\n0.860482 0.860481 0.860482 La\n0.139519 0.139518 0.139519 La\n0.000000 0.000000 0.000000 La\n0.421138 0.916262 0.421138 Ir\n0.421138 0.421137 0.916264 Ir\n0.916264 0.421137 0.421137 Ir\n0.578863 0.083737 0.578862 Ir\n0.578863 0.578862 0.083736 Ir\n0.083737 0.578862 0.578863 Ir\n0.668148 0.668147 0.668148 Ir\n0.331852 0.331852 0.331852 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 12,
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"elements": [
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],
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"density": 15.70019636809733,
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"formula_full": "La3 Ir9",
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"spacegroup": 166
},
{
"id": "jvasp-85845",
"created_at": "2022-09-04T14:36:09.916360Z",
"updated_at": "2022-09-04T14:36:09.916378Z",
"structure_string": "La2 Ir4\n1.0\n4.747450 0.000000 2.740942\n1.582483 4.475939 2.740942\n0.000000 0.000000 5.481884\nLa Ir\n2 4\ndirect\n0.874999 0.875000 0.874999 La\n0.125000 0.125000 0.125000 La\n0.500000 0.500000 0.499999 Ir\n0.500000 0.500000 -0.000000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.499999 Ir\n",
"nsites": 6,
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"volume": 116.48617907321886,
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"formula_full": "La2 Ir4",
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"spacegroup": 227
},
{
"id": "jvasp-86344",
"created_at": "2022-09-04T14:35:54.296044Z",
"updated_at": "2022-09-04T14:35:54.296075Z",
"structure_string": "La2 Ir4\n1.0\n4.747449 0.000000 2.740942\n1.582483 4.475938 2.740942\n0.000000 0.000000 5.481883\nLa Ir\n2 4\ndirect\n0.874999 0.875000 0.874999 La\n0.125000 0.125000 0.125000 La\n0.500000 0.500000 0.499999 Ir\n0.500000 0.500000 -0.000000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
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"spacegroup": 227
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]
}