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{
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"results": [
{
"id": "jvasp-38871",
"created_at": "2022-09-04T14:37:52.678286Z",
"updated_at": "2022-09-04T14:37:52.678313Z",
"structure_string": "Li1 Nb1 Ir2\n1.0\n-0.000003 3.087562 3.087567\n3.087564 -0.000002 3.087567\n3.087563 3.087560 0.000000\nLi Nb Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750000 Nb\n0.000000 0.000000 0.000000 Ir\n0.500000 0.499999 0.499998 Ir\n",
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"elements": [
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"volume": 58.867851091779166,
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"formula_full": "Li1 Nb1 Ir2",
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{
"id": "jvasp-80020",
"created_at": "2022-09-04T14:37:14.274825Z",
"updated_at": "2022-09-04T14:37:14.274845Z",
"structure_string": "Li1 Nd2 Ir1\n1.0\n0.000000 3.583643 3.583643\n3.583643 -0.000000 3.583643\n3.583643 3.583643 0.000000\nLi Nd Ir\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.500001 Nd\n0.250000 0.250000 0.250000 Ir\n",
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"volume": 92.04585003862029,
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"formula_full": "Li1 Nd2 Ir1",
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{
"id": "jvasp-21734",
"created_at": "2022-09-04T14:37:30.804240Z",
"updated_at": "2022-09-04T14:37:30.804260Z",
"structure_string": "Li2 Nd4 Ir2 O12\n1.0\n0.000000 5.429360 -0.000891\n5.811862 0.000000 0.000000\n0.000000 -5.351881 -7.740132\nLi Nd Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.769236 0.072379 0.251385 Nd\n0.230764 0.572379 0.248615 Nd\n0.769236 0.427620 0.751384 Nd\n0.230764 0.927620 0.748615 Nd\n0.500000 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.847627 0.189970 0.547247 O\n0.152373 0.689970 0.952752 O\n0.152373 0.810030 0.452752 O\n0.847627 0.310030 0.047247 O\n0.346011 0.525855 0.752020 O\n0.732498 0.790169 0.050098 O\n0.267501 0.209831 0.949901 O\n0.732498 0.709831 0.550098 O\n0.653989 0.474145 0.247979 O\n0.267501 0.290169 0.449901 O\n0.653988 0.025855 0.747979 O\n0.346011 0.974144 0.252020 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Nd",
"Ir",
"O"
],
"chemical_system": "Ir-Li-Nd-O",
"density": 7.935263894907771,
"density_atomic": 0.08187822487244621,
"volume": 244.26518810290466,
"volume_molar": 7.354996727617847,
"formula_full": "Li2 Nd4 Ir2 O12",
"formula_reduced": "LiNd2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.51040051,
"spacegroup": 14
},
{
"id": "jvasp-38890",
"created_at": "2022-09-04T14:37:46.636456Z",
"updated_at": "2022-09-04T14:37:46.636465Z",
"structure_string": "Li1 Np1 Ir2\n1.0\n0.000569 3.229889 3.229889\n3.229889 0.000569 3.229889\n3.229889 3.229889 0.000569\nLi Np Ir\n1 1 2\ndirect\n0.249996 0.249996 0.249996 Li\n0.749997 0.749997 0.749997 Np\n0.999974 0.999974 0.999974 Ir\n0.500032 0.500032 0.500032 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Np",
"Ir"
],
"chemical_system": "Ir-Li-Np",
"density": 15.487809049844765,
"density_atomic": 0.05937204134117307,
"volume": 67.37177819126285,
"volume_molar": 10.143058287982077,
"formula_full": "Li1 Np1 Ir2",
"formula_reduced": "LiNpIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-58405",
"created_at": "2022-09-04T14:37:36.215441Z",
"updated_at": "2022-09-04T14:37:36.215465Z",
"structure_string": "Li8 Ir1 O6\n1.0\n4.805754 0.000612 3.429258\n1.766112 4.469465 3.429258\n0.000901 0.000612 5.903819\nLi Ir O\n8 1 6\ndirect\n0.341315 0.341314 0.341316 Li\n0.516193 0.897866 0.233031 Li\n0.233030 0.516192 0.897868 Li\n0.897867 0.233029 0.516194 Li\n0.483807 0.102132 0.766971 Li\n0.766970 0.483806 0.102134 Li\n0.658684 0.658683 0.658686 Li\n0.102133 0.766969 0.483808 Li\n0.000000 0.000000 0.000000 Ir\n0.237627 0.909310 0.611918 O\n0.090688 0.388082 0.762374 O\n0.762373 0.090688 0.388084 O\n0.611917 0.237626 0.909313 O\n0.909311 0.611916 0.237628 O\n0.388083 0.762372 0.090690 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
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"Ir",
"O"
],
"chemical_system": "Ir-Li-O",
"density": 4.5021693585365865,
"density_atomic": 0.1183129131892571,
"volume": 126.78244154131784,
"volume_molar": 5.090011392388583,
"formula_full": "Li8 Ir1 O6",
"formula_reduced": "Li8IrO6",
"formula_anonymous": "AB6C8",
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"spacegroup": 148
},
{
"id": "jvasp-21735",
"created_at": "2022-09-04T14:37:31.392093Z",
"updated_at": "2022-09-04T14:37:31.392120Z",
"structure_string": "Li2 Pr4 Ir2 O12\n1.0\n0.000000 5.475844 0.001827\n5.790105 0.000000 0.000000\n0.000000 -5.406891 -7.801317\nLi Pr Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.767020 0.067101 0.251343 Pr\n0.232980 0.567101 0.248657 Pr\n0.767020 0.432898 0.751343 Pr\n0.232980 0.932898 0.748657 Pr\n0.499999 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.841469 0.193111 0.545177 O\n0.158531 0.693110 0.954823 O\n0.158531 0.806889 0.454823 O\n0.841468 0.306889 0.045177 O\n0.340906 0.522347 0.752712 O\n0.734716 0.788238 0.047550 O\n0.265283 0.211762 0.952450 O\n0.734716 0.711761 0.547550 O\n0.659094 0.477652 0.247288 O\n0.265283 0.288238 0.452450 O\n0.659094 0.022347 0.747288 O\n0.340905 0.977652 0.252712 O\n",
"nsites": 20,
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"elements": [
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"Pr",
"Ir",
"O"
],
"chemical_system": "Ir-Li-O-Pr",
"density": 7.748668943859537,
"density_atomic": 0.08087699423156641,
"volume": 247.28911095207306,
"volume_molar": 7.446049172843208,
"formula_full": "Li2 Pr4 Ir2 O12",
"formula_reduced": "LiPr2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5247791800000003,
"spacegroup": 14
},
{
"id": "jvasp-21733",
"created_at": "2022-09-04T14:37:30.684504Z",
"updated_at": "2022-09-04T14:37:30.684521Z",
"structure_string": "Li2 Sm4 Ir2 O12\n1.0\n0.000000 5.360174 -0.001275\n5.809115 0.000000 0.000000\n0.000000 -5.263893 -7.647929\nLi Sm Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.772216 0.078454 0.251608 Sm\n0.227784 0.578454 0.248392 Sm\n0.772216 0.421547 0.751608 Sm\n0.227785 0.921547 0.748392 Sm\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.856790 0.186499 0.550813 O\n0.143210 0.686500 0.949188 O\n0.143210 0.813502 0.449188 O\n0.856790 0.313501 0.050813 O\n0.355568 0.531555 0.751244 O\n0.730861 0.793213 0.054330 O\n0.269139 0.206788 0.945671 O\n0.730862 0.706788 0.554330 O\n0.644433 0.468446 0.248756 O\n0.269139 0.293213 0.445671 O\n0.644433 0.031555 0.748757 O\n0.355568 0.968446 0.251244 O\n",
"nsites": 20,
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"elements": [
"Li",
"Sm",
"Ir",
"O"
],
"chemical_system": "Ir-Li-O-Sm",
"density": 8.308641408057891,
"density_atomic": 0.08397039393029894,
"volume": 238.17918511375976,
"volume_molar": 7.1717428942857895,
"formula_full": "Li2 Sm4 Ir2 O12",
"formula_reduced": "LiSm2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.481429985,
"spacegroup": 14
},
{
"id": "jvasp-21125",
"created_at": "2022-09-04T14:37:05.868421Z",
"updated_at": "2022-09-04T14:37:05.868452Z",
"structure_string": "Sr6 Li2 Ir2 O12\n1.0\n6.714188 -0.006393 -0.257711\n-0.267547 6.708858 -0.257711\n-0.006149 -0.006393 6.719128\nSr Li Ir O\n6 2 2 12\ndirect\n0.890077 0.250001 0.609924 Sr\n0.390076 0.109924 0.750000 Sr\n0.750000 0.390077 0.109924 Sr\n0.109923 0.750000 0.390077 Sr\n0.250000 0.609924 0.890077 Sr\n0.609923 0.890077 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500001 0.500000 Ir\n0.217404 0.414216 0.546590 O\n0.085785 0.282596 0.953410 O\n0.953410 0.085785 0.282596 O\n0.546590 0.217405 0.414215 O\n0.585785 0.453411 0.782596 O\n0.782596 0.585786 0.453410 O\n0.717404 0.046591 0.914216 O\n0.914215 0.717405 0.046590 O\n0.046590 0.914216 0.717405 O\n0.453410 0.782596 0.585785 O\n0.414215 0.546591 0.217405 O\n0.282595 0.953410 0.085785 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Ir-Li-O-Sr",
"density": 6.123754290068519,
"density_atomic": 0.07269690774988935,
"volume": 302.6263520821281,
"volume_molar": 8.283902226926795,
"formula_full": "Sr6 Li2 Ir2 O12",
"formula_reduced": "Sr3LiIrO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-41797",
"created_at": "2022-09-04T14:37:32.191922Z",
"updated_at": "2022-09-04T14:37:32.191955Z",
"structure_string": "Li1 Pm2 Ir1\n1.0\n-0.000000 3.552014 3.552014\n3.552014 0.000000 3.552014\n3.552014 3.552014 -0.000000\nLi Pm Ir\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Pm\n0.499999 0.499999 0.499999 Pm\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.044627852510074985,
"volume": 89.63012502331314,
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"formula_full": "Li1 Pm2 Ir1",
"formula_reduced": "LiPm2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-101581",
"created_at": "2022-09-04T14:36:48.518237Z",
"updated_at": "2022-09-04T14:36:48.518246Z",
"structure_string": "Li1 Pr2 Ir1\n1.0\n4.426298 -0.000000 2.555524\n1.475433 4.173154 2.555524\n-0.000000 -0.000000 5.111049\nLi Pr Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Pr\n0.750000 0.749999 0.749999 Pr\n0.500000 0.500000 0.499999 Ir\n",
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"volume": 94.40937130462902,
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"formula_full": "Li1 Pr2 Ir1",
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},
{
"id": "jvasp-51098",
"created_at": "2022-09-04T14:38:11.024559Z",
"updated_at": "2022-09-04T14:38:11.024571Z",
"structure_string": "Li1 Ir1 Rh1\n1.0\n0.000000 2.748280 2.748280\n2.748280 -0.000000 2.748280\n2.748280 2.748280 -0.000000\nLi Ir Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
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"volume": 41.515753803423095,
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"formula_full": "Li1 Ir1 Rh1",
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"spacegroup": 216
},
{
"id": "jvasp-42881",
"created_at": "2022-09-04T14:35:51.323219Z",
"updated_at": "2022-09-04T14:35:51.323252Z",
"structure_string": "Li1 Sc2 Ir1\n1.0\n-0.000000 3.252236 3.252236\n3.252236 0.000000 3.252236\n3.252236 3.252236 -0.000000\nLi Sc Ir\n1 2 1\ndirect\n0.750002 0.750002 0.750002 Li\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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],
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"formula_full": "Li1 Sc2 Ir1",
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"spacegroup": 225
}
]
}