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{
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{
"id": "mp-1096464",
"created_at": "2022-09-04T14:45:17.411967Z",
"structure_string": "Tl1 Hg2 Pb1\n1.0\n-6.038053 6.239051 8.819668\n6.038053 -6.239051 8.819668\n6.038053 6.239051 -8.819668\nTl Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.255637 0.255637 Hg\n0.000000 0.744363 0.744363 Hg\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1329.0082749947946,
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{
"id": "mp-1096440",
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"elements": [
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"volume": 1330.7300481865868,
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"updated_at": "2021-11-28T01:34:42.155000Z",
"spacegroup": 71
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{
"id": "mp-1095744",
"created_at": "2022-09-04T14:44:07.458479Z",
"structure_string": "Na1 Y1 Hg2\n1.0\n-6.127312 6.280171 8.649224\n6.127312 -6.280171 8.649224\n6.127312 6.280171 -8.649224\nNa Y Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Y\n0.754705 0.000000 0.754705 Hg\n0.245295 0.000000 0.245295 Hg\n",
"nsites": 4,
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],
"chemical_system": "Hg-Na-Y",
"density": 0.6399585936257911,
"density_atomic": 0.003004563528570077,
"volume": 1331.3081790298068,
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"formula_full": "Na1 Y1 Hg2",
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"formula_anonymous": "ABC2",
"energy": -4.03397519,
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"band_gap": 0.0,
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"total_magnetization": 2.0014008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.626000Z",
"spacegroup": 71
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{
"id": "mp-1097198",
"created_at": "2022-09-04T14:44:21.280262Z",
"structure_string": "Y2 Ni1 Rh1\n1.0\n-4.971642 6.764998 9.898568\n4.971642 -6.764998 9.898568\n4.971642 6.764998 -9.898568\nY Ni Rh\n2 1 1\ndirect\n0.000000 0.253813 0.253813 Y\n0.000000 0.746187 0.746187 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Ni",
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],
"chemical_system": "Ni-Rh-Y",
"density": 0.4232282181174944,
"density_atomic": 0.0030037245790064584,
"volume": 1331.6800175211401,
"volume_molar": 200.48911281978928,
"formula_full": "Y2 Ni1 Rh1",
"formula_reduced": "Y2NiRh",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.755000Z",
"spacegroup": 71
},
{
"id": "mp-1097393",
"created_at": "2022-09-04T14:44:15.831169Z",
"structure_string": "Mg2 Cd1 Rh1\n1.0\n-5.614682 6.388539 9.283333\n5.614682 -6.388539 9.283333\n5.614682 6.388539 -9.283333\nMg Cd Rh\n2 1 1\ndirect\n0.000000 0.223293 0.223293 Mg\n0.000000 0.776707 0.776707 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"density": 0.3290345181343499,
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"volume": 1331.9583198929192,
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"formula_full": "Mg2 Cd1 Rh1",
"formula_reduced": "Mg2CdRh",
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"energy": -5.11162325,
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"energy_uncorrected": -5.11162325,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.580000Z",
"spacegroup": 71
},
{
"id": "mp-1096753",
"created_at": "2022-09-04T14:43:41.491287Z",
"structure_string": "Ca2 Hg1 Au1\n1.0\n-6.173282 6.180593 8.729117\n6.173282 -6.180593 8.729117\n6.173282 6.180593 -8.729117\nCa Hg Au\n2 1 1\ndirect\n0.000000 0.232748 0.232748 Ca\n0.000000 0.767252 0.767252 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
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"chemical_system": "Au-Ca-Hg",
"density": 0.5954416338424503,
"density_atomic": 0.003002502816376852,
"volume": 1332.2218977389127,
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"formula_full": "Ca2 Hg1 Au1",
"formula_reduced": "Ca2HgAu",
"formula_anonymous": "ABC2",
"energy": -4.7277714,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.577000Z",
"spacegroup": 71
},
{
"id": "mp-1097215",
"created_at": "2022-09-04T14:46:52.392782Z",
"structure_string": "Sr1 Cd1 Au2\n1.0\n-5.792116 6.381748 9.014437\n5.792116 -6.381748 9.014437\n5.792116 6.381748 -9.014437\nSr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248151 0.248151 Au\n0.000000 0.751849 0.751849 Au\n",
"nsites": 4,
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"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-Sr",
"density": 0.7400035795885637,
"density_atomic": 0.003001127802585436,
"volume": 1332.8322761043523,
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"formula_full": "Sr1 Cd1 Au2",
"formula_reduced": "SrCdAu2",
"formula_anonymous": "ABC2",
"energy": -7.10514096,
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"band_gap": 0.9465,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.324000Z",
"spacegroup": 71
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{
"id": "mp-1095909",
"created_at": "2022-09-04T14:43:07.999927Z",
"structure_string": "Li1 Ta2 Re1\n1.0\n-5.302814 6.891848 9.122573\n5.302814 -6.891848 9.122573\n5.302814 6.891848 -9.122573\nLi Ta Re\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.285756 0.285756 Ta\n0.000000 0.714244 0.714244 Ta\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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"Ta",
"Re"
],
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"density": 0.6911254705512322,
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"volume": 1333.581073806239,
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"formula_full": "Li1 Ta2 Re1",
"formula_reduced": "LiTa2Re",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:58.199000Z",
"spacegroup": 71
},
{
"id": "mp-1098700",
"created_at": "2022-09-04T14:44:56.921265Z",
"structure_string": "K1 La1 Au2\n1.0\n-6.116086 6.201587 8.801631\n6.116086 -6.201587 8.801631\n6.116086 6.201587 -8.801631\nK La Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 La\n0.000000 0.262361 0.262361 Au\n0.000000 0.737639 0.737639 Au\n",
"nsites": 4,
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"elements": [
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"La",
"Au"
],
"chemical_system": "Au-K-La",
"density": 0.7112096618048956,
"density_atomic": 0.0029954385771104614,
"volume": 1335.363719545398,
"volume_molar": 201.04370712248877,
"formula_full": "K1 La1 Au2",
"formula_reduced": "KLaAu2",
"formula_anonymous": "ABC2",
"energy": -9.33241652,
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"updated_at": "2021-11-28T01:36:48.961000Z",
"spacegroup": 71
},
{
"id": "mp-1097501",
"created_at": "2022-09-04T14:39:13.697313Z",
"structure_string": "Na1 Cd2 Ag1\n1.0\n-5.851366 6.356006 8.977754\n5.851366 -6.356006 8.977754\n5.851366 6.356006 -8.977754\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.261983 0.261983 Cd\n0.000000 0.738017 0.738017 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"formula_full": "Na1 Cd2 Ag1",
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"updated_at": "2021-11-28T01:34:31.156000Z",
"spacegroup": 71
},
{
"id": "mp-1095730",
"created_at": "2022-09-04T14:39:58.996071Z",
"structure_string": "Tl2 Cd1 In1\n1.0\n-6.038936 6.254932 8.846123\n6.038936 -6.254932 8.846123\n6.038936 6.254932 -8.846123\nTl Cd In\n2 1 1\ndirect\n0.000000 0.255709 0.255709 Tl\n0.000000 0.744291 0.744291 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"volume": 1336.583158982687,
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"updated_at": "2021-11-28T01:34:43.187000Z",
"spacegroup": 71
},
{
"id": "mp-1096557",
"created_at": "2022-09-04T14:48:06.035866Z",
"structure_string": "Na1 Mg2 In1\n1.0\n-6.126990 6.136147 8.895032\n6.126990 -6.136147 8.895032\n6.126990 6.136147 -8.895032\nNa Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.258972 0.258972 Mg\n0.000000 0.741028 0.741028 Mg\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.23141205095948564,
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"volume": 1337.674452624165,
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"formula_full": "Na1 Mg2 In1",
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"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.587000Z",
"spacegroup": 71
}
]
}