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{
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"results": [
{
"id": "jvasp-38276",
"created_at": "2022-09-04T14:37:49.432467Z",
"updated_at": "2022-09-04T14:37:49.432490Z",
"structure_string": "Rh2 I2\n1.0\n2.018128 -3.495501 -0.000000\n2.018128 3.495501 -0.000000\n0.000000 -0.000000 7.566899\nRh I\n2 2\ndirect\n0.333333 0.666667 0.360787 Rh\n0.666667 0.333333 0.860788 Rh\n0.333333 0.666667 0.014213 I\n0.666667 0.333333 0.514213 I\n",
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{
"id": "jvasp-112997",
"created_at": "2022-09-04T14:38:46.014560Z",
"updated_at": "2022-09-04T14:38:46.014590Z",
"structure_string": "Y6 Rh1 I10\n1.0\n7.559540 -0.027024 -0.940423\n-2.851130 8.671102 -2.866104\n-0.008835 -0.037080 9.588477\nY Rh I\n6 1 10\ndirect\n0.526366 0.210553 0.412188 Y\n0.473633 0.789448 0.587813 Y\n0.143766 0.370504 0.330838 Y\n0.856233 0.629497 0.669163 Y\n0.613069 0.537952 0.255529 Y\n0.386931 0.462049 0.744472 Y\n0.500000 0.500000 0.500001 Rh\n0.950966 0.311783 0.594043 I\n0.049033 0.688217 0.405958 I\n0.290352 0.769047 0.859230 I\n0.709648 0.230953 0.140772 I\n0.866433 0.964200 0.777381 I\n0.229265 0.409882 0.031914 I\n0.411291 0.127018 0.685312 I\n0.133567 0.035800 0.222620 I\n0.770735 0.590118 0.968087 I\n0.588708 0.872982 0.314689 I\n",
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{
"id": "jvasp-38429",
"created_at": "2022-09-04T14:37:56.375119Z",
"updated_at": "2022-09-04T14:37:56.375139Z",
"structure_string": "K6 Ir2\n1.0\n3.706248 -6.419410 -0.000000\n3.706248 6.419410 -0.000000\n-0.000000 0.000000 5.474243\nK Ir\n6 2\ndirect\n0.185847 0.371695 0.250000 K\n0.628305 0.814153 0.250000 K\n0.185847 0.814153 0.250000 K\n0.814153 0.628305 0.750000 K\n0.371695 0.185847 0.750000 K\n0.814153 0.185847 0.750000 K\n0.333333 0.666667 0.750000 Ir\n0.666667 0.333333 0.250000 Ir\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ir-K",
"density": 3.946142701223726,
"density_atomic": 0.030711874811958192,
"volume": 260.4855629616289,
"volume_molar": 19.608509076284644,
"formula_full": "K6 Ir2",
"formula_reduced": "K3Ir",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-22042",
"created_at": "2022-09-04T14:37:34.917967Z",
"updated_at": "2022-09-04T14:37:34.917991Z",
"structure_string": "K1 Li6 Ir1 O6\n1.0\n5.190485 0.017253 -1.045276\n-1.280055 5.030198 -1.045276\n0.013366 0.017253 5.294672\nK Li Ir O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.339573 -0.000001 0.660427 Li\n0.000001 0.660427 0.339572 Li\n0.339573 0.660427 -0.000001 Li\n0.000001 0.339573 0.660427 Li\n0.660427 -0.000001 0.339572 Li\n0.660427 0.339573 -0.000001 Li\n0.000000 0.000000 0.000000 Ir\n0.724536 0.081440 0.724536 O\n0.724537 0.724537 0.081439 O\n0.275464 0.918560 0.275462 O\n0.275464 0.275463 0.918559 O\n0.918559 0.275463 0.275462 O\n0.081442 0.724537 0.724536 O\n",
"nsites": 14,
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"elements": [
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"Li",
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"O"
],
"chemical_system": "Ir-K-Li-O",
"density": 4.422223236041758,
"density_atomic": 0.1010515599276153,
"volume": 138.54313590040968,
"volume_molar": 5.959473326600546,
"formula_full": "K1 Li6 Ir1 O6",
"formula_reduced": "KLi6IrO6",
"formula_anonymous": "ABC6D6",
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"spacegroup": 166
},
{
"id": "jvasp-57137",
"created_at": "2022-09-04T14:38:34.165360Z",
"updated_at": "2022-09-04T14:38:34.165393Z",
"structure_string": "K6 Li2 Ir2 O8\n1.0\n5.772843 0.022965 1.071565\n1.203958 7.087611 0.723115\n0.025122 0.018713 7.225348\nK Li Ir O\n6 2 2 8\ndirect\n0.977441 0.934050 0.756031 K\n0.750000 0.404127 0.595874 K\n0.477441 0.756029 0.934052 K\n0.522559 0.243970 0.065950 K\n0.022559 0.065949 0.243970 K\n0.250000 0.595872 0.404128 K\n0.250000 0.269436 0.730564 Li\n0.750000 0.730562 0.269438 Li\n0.500000 -0.000001 0.500001 Ir\n0.000000 0.500000 0.000000 Ir\n0.760831 0.793468 0.518882 O\n0.529709 0.088082 0.736904 O\n0.260831 0.518880 0.793470 O\n0.029709 0.736903 0.088083 O\n0.470291 0.911916 0.263098 O\n0.970290 0.263096 0.911918 O\n0.739168 0.481118 0.206532 O\n0.239168 0.206531 0.481120 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ir-K-Li-O",
"density": 4.280374793969493,
"density_atomic": 0.06097854404547621,
"volume": 295.18579496709646,
"volume_molar": 9.87583559802419,
"formula_full": "K6 Li2 Ir2 O8",
"formula_reduced": "K3LiIrO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.4311098999999998,
"spacegroup": 15
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{
"id": "jvasp-59622",
"created_at": "2022-09-04T14:37:29.848920Z",
"updated_at": "2022-09-04T14:37:29.848940Z",
"structure_string": "K3 Ir1 N6 O12\n1.0\n6.331872 0.000000 3.655708\n2.110624 5.969747 3.655708\n0.000000 -0.000000 7.311416\nK Ir N O\n3 1 6 12\ndirect\n0.749999 0.750000 0.750001 K\n0.499999 0.500000 0.500001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ir\n0.803626 0.803627 0.196374 N\n0.196372 0.803627 0.196373 N\n0.196373 0.196373 0.803628 N\n0.803627 0.196373 0.803628 N\n0.196372 0.803627 0.803628 N\n0.803627 0.196373 0.196373 N\n0.408863 -0.000000 0.591138 O\n-0.000000 0.408863 0.591137 O\n0.000000 0.000000 0.591137 O\n-0.000000 0.591137 0.000000 O\n-0.000000 0.591137 0.408863 O\n0.408863 -0.000000 0.000000 O\n-0.000000 0.408863 0.000000 O\n0.591137 -0.000000 0.408863 O\n0.591137 0.408863 0.000000 O\n0.408862 0.591137 0.000000 O\n0.591137 -0.000000 0.000000 O\n0.000000 0.000000 0.408863 O\n",
"nsites": 22,
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"elements": [
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"N",
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],
"chemical_system": "Ir-K-N-O",
"density": 3.518193747610747,
"density_atomic": 0.0796036777846556,
"volume": 276.369140374576,
"volume_molar": 7.565153932072254,
"formula_full": "K3 Ir1 N6 O12",
"formula_reduced": "K3Ir(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.592702572727273,
"spacegroup": 225
},
{
"id": "jvasp-2817",
"created_at": "2022-09-04T14:36:50.147151Z",
"updated_at": "2022-09-04T14:36:50.147170Z",
"structure_string": "K4 Ir1 O4\n1.0\n5.420683 -0.016847 1.184933\n1.731159 5.136846 1.184933\n-0.038612 -0.027642 6.087137\nK Ir O\n4 1 4\ndirect\n0.621918 0.621918 0.144808 K\n0.190521 0.190521 0.410277 K\n0.378082 0.378082 0.855191 K\n0.809479 0.809479 0.589722 K\n0.000000 0.000000 0.000000 Ir\n0.106339 0.675328 0.202521 O\n0.675328 0.106339 0.202521 O\n0.324672 0.893662 0.797478 O\n0.893661 0.324672 0.797479 O\n",
"nsites": 9,
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"elements": [
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"O"
],
"chemical_system": "Ir-K-O",
"density": 4.0295483527228395,
"density_atomic": 0.052931274321372866,
"volume": 170.03180284979334,
"volume_molar": 11.377282782644718,
"formula_full": "K4 Ir1 O4",
"formula_reduced": "K4IrO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.2314574555555555,
"spacegroup": 12
},
{
"id": "jvasp-109112",
"created_at": "2022-09-04T14:38:16.678389Z",
"updated_at": "2022-09-04T14:38:16.678425Z",
"structure_string": "K1 P2 Ir2\n1.0\n3.777506 -0.038956 -5.936003\n-0.353108 3.761168 -5.936003\n0.035840 0.038956 7.035936\nK P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.350893 0.350893 0.000000 P\n0.649107 0.649107 0.000001 P\n0.750001 0.250000 0.500001 Ir\n0.250000 0.750001 0.500001 Ir\n",
"nsites": 5,
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"elements": [
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"P",
"Ir"
],
"chemical_system": "Ir-K-P",
"density": 7.932108761607215,
"density_atomic": 0.0491969729132715,
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"formula_full": "K1 P2 Ir2",
"formula_reduced": "K(PIr)2",
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"spacegroup": 139
},
{
"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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"elements": [
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"formula_full": "La2 Ir4",
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"spacegroup": 227
},
{
"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",
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{
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"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",
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},
{
"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",
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"formula_full": "Li1 La2 Ir1",
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}
]
}