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{
"id": "jvasp-41095",
"created_at": "2022-09-04T14:38:15.608660Z",
"updated_at": "2022-09-04T14:38:15.608679Z",
"structure_string": "Li1 Sn1 Ir2\n1.0\n-0.000000 3.109774 3.109774\n3.109774 -0.000000 3.109774\n3.109774 3.109774 0.000000\nLi Sn Ir\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Li\n0.750001 0.750001 0.750001 Sn\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.499999 Ir\n",
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{
"id": "jvasp-35995",
"created_at": "2022-09-04T14:37:28.938894Z",
"updated_at": "2022-09-04T14:37:28.938915Z",
"structure_string": "Li2 Sn1 Ir1\n1.0\n3.059721 3.059721 -0.000000\n3.059721 0.000000 -3.059721\n-0.000000 3.059721 -3.059721\nLi Sn Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Ir\n",
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"volume": 57.289558762717334,
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"formula_full": "Li2 Sn1 Ir1",
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{
"id": "jvasp-23697",
"created_at": "2022-09-04T14:37:36.196337Z",
"updated_at": "2022-09-04T14:37:36.196362Z",
"structure_string": "Li2 Sn8 Ir2\n1.0\n5.981926 -0.000000 -3.004779\n-1.509330 5.788382 -3.004779\n0.001301 0.001684 7.459401\nLi Sn Ir\n2 8 2\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.523446 0.706662 0.730108 Sn\n0.023446 0.523445 0.730108 Sn\n0.706663 0.206662 0.730109 Sn\n0.293337 0.793337 0.269891 Sn\n0.976554 0.476554 0.269891 Sn\n0.476554 0.293337 0.269891 Sn\n0.793337 0.976553 0.269891 Sn\n0.206663 0.023446 0.730109 Sn\n0.750000 0.749999 0.500000 Ir\n0.250000 0.250000 0.500000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"chemical_system": "Ir-Li-Sn",
"density": 8.664305423928049,
"density_atomic": 0.04644909943521287,
"volume": 258.34731234644454,
"volume_molar": 12.965032332649791,
"formula_full": "Li2 Sn8 Ir2",
"formula_reduced": "LiSn4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2417163166666667,
"spacegroup": 140
},
{
"id": "jvasp-103461",
"created_at": "2022-09-04T14:36:43.866797Z",
"updated_at": "2022-09-04T14:36:43.866825Z",
"structure_string": "Li2 Sn1 Ir1\n1.0\n3.841153 0.000000 2.217691\n1.280384 3.621474 2.217691\n0.000000 0.000000 4.435382\nLi Sn Ir\n2 1 1\ndirect\n0.499999 0.499999 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Sn\n0.749999 0.749999 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ir-Li-Sn",
"density": 8.741765342306907,
"density_atomic": 0.06483089003131622,
"volume": 61.69898327892493,
"volume_molar": 9.288999051364305,
"formula_full": "Li2 Sn1 Ir1",
"formula_reduced": "Li2SnIr",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-40027",
"created_at": "2022-09-04T14:37:44.967052Z",
"updated_at": "2022-09-04T14:37:44.967068Z",
"structure_string": "Li1 Sm2 Ir1\n1.0\n-0.000000 3.530515 3.530515\n3.530515 -0.000000 3.530515\n3.530515 3.530515 0.000000\nLi Sm Ir\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Li\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sm",
"Ir"
],
"chemical_system": "Ir-Li-Sm",
"density": 9.431243163832105,
"density_atomic": 0.0454481084536725,
"volume": 88.01246379873866,
"volume_molar": 13.250586140760214,
"formula_full": "Li1 Sm2 Ir1",
"formula_reduced": "LiSm2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9597072125,
"spacegroup": 225
},
{
"id": "jvasp-81154",
"created_at": "2022-09-04T14:37:16.549390Z",
"updated_at": "2022-09-04T14:37:16.549419Z",
"structure_string": "Li1 Si2 Ir1\n1.0\n-10.021361 0.944719 -4.254847\n-6.341011 -0.397164 -0.162202\n-5.139872 2.994174 -2.238181\nLi Si Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.371912 0.314054 0.314047 Si\n0.628088 0.685945 0.685953 Si\n0.500000 -0.000001 -0.000000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-Li-Si",
"density": 6.722084519594202,
"density_atomic": 0.06341831784341419,
"volume": 63.07325921000266,
"volume_molar": 9.49590112886506,
"formula_full": "Li1 Si2 Ir1",
"formula_reduced": "LiSi2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 65
},
{
"id": "jvasp-39857",
"created_at": "2022-09-04T14:37:42.539399Z",
"updated_at": "2022-09-04T14:37:42.539424Z",
"structure_string": "Li1 Si1 Ir2\n1.0\n0.000000 2.913661 2.913661\n2.913661 0.000000 2.913661\n2.913661 2.913661 0.000000\nLi Si Ir\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Li\n0.749999 0.749999 0.749999 Si\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 Ir\n",
"nsites": 4,
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"elements": [
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"volume": 49.47058639773684,
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"formula_full": "Li1 Si1 Ir2",
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"spacegroup": 225
},
{
"id": "jvasp-118573",
"created_at": "2022-09-04T14:38:45.634124Z",
"updated_at": "2022-09-04T14:38:45.634140Z",
"structure_string": "Li1 Sc1 Ir1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.313520\nLi Sc Ir\n1 1 1\ndirect\n0.000000 0.000000 -0.002881 Li\n0.000000 0.000000 0.451702 Sc\n0.000000 0.000000 0.217418 Ir\n",
"nsites": 3,
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"elements": [
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],
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"density": 1.554266649919776,
"density_atomic": 0.011502842018637372,
"volume": 260.805111914019,
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"formula_full": "Li1 Sc1 Ir1",
"formula_reduced": "LiScIr",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"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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"elements": [
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"volume": 68.79805401643063,
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"formula_full": "Li1 Sc2 Ir1",
"formula_reduced": "LiSc2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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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"elements": [
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"Rh"
],
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"density": 12.081877272876874,
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"volume": 41.515753803423095,
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"formula_full": "Li1 Ir1 Rh1",
"formula_reduced": "LiIrRh",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"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",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Li1 Pr2 Ir1",
"formula_reduced": "LiPr2Ir",
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},
{
"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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"formula_full": "Li1 Pm2 Ir1",
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}