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{
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{
"id": "mp-1095791",
"created_at": "2022-09-04T14:44:19.725357Z",
"structure_string": "Y2 Cu1 Au1\n1.0\n-5.522387 5.929991 8.357606\n5.522387 -5.929991 8.357606\n5.522387 5.929991 -8.357606\nY Cu Au\n2 1 1\ndirect\n0.000000 0.250554 0.250554 Y\n0.000000 0.749446 0.749446 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Au\n",
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{
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{
"id": "mp-1097268",
"created_at": "2022-09-04T14:41:04.802286Z",
"structure_string": "Mg2 Sn1 Hg1\n1.0\n-5.540010 5.906590 8.352382\n5.540010 -5.906590 8.352382\n5.540010 5.906590 -8.352382\nMg Sn Hg\n2 1 1\ndirect\n0.000000 0.249471 0.249471 Mg\n0.000000 0.750529 0.750529 Mg\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"chemical_system": "Hg-Mg-Sn",
"density": 0.5588213308610923,
"density_atomic": 0.003658830382755572,
"volume": 1093.2455406657805,
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"formula_full": "Mg2 Sn1 Hg1",
"formula_reduced": "Mg2SnHg",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -3.59912711,
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"updated_at": "2021-11-28T01:35:08.701000Z",
"spacegroup": 71
},
{
"id": "mp-1093699",
"created_at": "2022-09-04T14:39:36.521986Z",
"structure_string": "Li1 Mg1 Hg2\n1.0\n-5.735928 5.804145 8.205321\n5.735928 -5.804145 8.205321\n5.735928 5.804145 -8.205321\nLi Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.239725 0.239725 Hg\n0.000000 0.760275 0.760275 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Li-Mg",
"density": 0.6571482929291771,
"density_atomic": 0.0036606860101666633,
"volume": 1092.6913668342422,
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"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
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"updated_at": "2021-11-28T01:34:30.145000Z",
"spacegroup": 71
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{
"id": "mp-1093852",
"created_at": "2022-09-04T14:40:21.326939Z",
"structure_string": "Y1 Sc1 Pt2\n1.0\n-4.988985 6.176698 8.861230\n4.988985 -6.176698 8.861230\n4.988985 6.176698 -8.861230\nY Sc Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244608 0.244608 Pt\n0.000000 0.755392 0.755392 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.796677376084154,
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"volume": 1092.2512901510872,
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"formula_full": "Y1 Sc1 Pt2",
"formula_reduced": "YScPt2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.413000Z",
"spacegroup": 71
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{
"id": "mp-1097566",
"created_at": "2022-09-04T14:46:25.930235Z",
"structure_string": "Ca1 Hg1 Pd2\n1.0\n-5.215000 6.081933 8.598564\n5.215000 -6.081933 8.598564\n5.215000 6.081933 -8.598564\nCa Hg Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.239340 0.239340 Pd\n0.000000 0.760660 0.760660 Pd\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pd"
],
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"density": 0.6903227503064493,
"density_atomic": 0.0036667232098330496,
"volume": 1090.8922684082622,
"volume_molar": 164.23766985875642,
"formula_full": "Ca1 Hg1 Pd2",
"formula_reduced": "CaHgPd2",
"formula_anonymous": "ABC2",
"energy": -8.66870054,
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"updated_at": "2021-11-28T01:37:40.487000Z",
"spacegroup": 71
},
{
"id": "mp-1097079",
"created_at": "2022-09-04T14:47:00.583925Z",
"structure_string": "Sc1 Cu1 Hg2\n1.0\n-5.553335 5.557833 8.830438\n5.553335 -5.557833 8.830438\n5.553335 5.557833 -8.830438\nSc Cu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Cu\n0.732751 0.000000 0.732751 Hg\n0.267249 0.000000 0.267249 Hg\n",
"nsites": 4,
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"elements": [
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"Cu",
"Hg"
],
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"density": 0.7763306201297278,
"density_atomic": 0.0036690902009761336,
"volume": 1090.1885156532348,
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"formula_full": "Sc1 Cu1 Hg2",
"formula_reduced": "ScCuHg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:52.466000Z",
"spacegroup": 71
},
{
"id": "mp-1093857",
"created_at": "2022-09-04T14:39:58.831223Z",
"structure_string": "Y2 Ru1 Au1\n1.0\n-5.290431 6.036104 8.533308\n5.290431 -6.036104 8.533308\n5.290431 6.036104 -8.533308\nY Ru Au\n2 1 1\ndirect\n0.000000 0.222937 0.222937 Y\n0.000000 0.777063 0.777063 Y\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.7249238866667858,
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"volume": 1089.9966948001647,
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"formula_full": "Y2 Ru1 Au1",
"formula_reduced": "Y2RuAu",
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"updated_at": "2021-11-28T01:34:53.803000Z",
"spacegroup": 71
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{
"id": "mp-1097666",
"created_at": "2022-09-04T14:46:28.549730Z",
"structure_string": "La2 Ir1 Pt1\n1.0\n-5.112417 6.139412 8.671663\n5.112417 -6.139412 8.671663\n5.112417 6.139412 -8.671663\nLa Ir Pt\n2 1 1\ndirect\n0.000000 0.243457 0.243457 La\n0.000000 0.756543 0.756543 La\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Ir",
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],
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"density": 1.0144447747819438,
"density_atomic": 0.0036740457427930397,
"volume": 1088.7180726713455,
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"formula_full": "La2 Ir1 Pt1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:36.831000Z",
"spacegroup": 71
},
{
"id": "mp-1093700",
"created_at": "2022-09-04T14:43:34.190270Z",
"structure_string": "Ca1 Y1 Pt2\n1.0\n-5.261134 6.045164 8.550689\n5.261134 -6.045164 8.550689\n5.261134 6.045164 -8.550689\nCa Y Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.263083 0.263083 Pt\n0.000000 0.736917 0.736917 Pt\n",
"nsites": 4,
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"volume": 1087.7987436499902,
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"formula_full": "Ca1 Y1 Pt2",
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"updated_at": "2021-11-28T01:36:16.673000Z",
"spacegroup": 71
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{
"id": "mp-1096080",
"created_at": "2022-09-04T14:47:06.211312Z",
"structure_string": "Y2 Ga1 Cu1\n1.0\n-5.634239 5.841064 8.256048\n5.634239 -5.841064 8.256048\n5.634239 5.841064 -8.256048\nY Ga Cu\n2 1 1\ndirect\n0.000000 0.249463 0.249463 Y\n0.000000 0.750537 0.750537 Y\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
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"formula_full": "Y2 Ga1 Cu1",
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"updated_at": "2021-11-28T01:37:52.857000Z",
"spacegroup": 71
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{
"id": "mp-1093798",
"created_at": "2022-09-04T14:40:23.624710Z",
"structure_string": "Mg1 Zr1 Zn2\n1.0\n-5.671327 5.863030 8.168669\n5.671327 -5.863030 8.168669\n5.671327 5.863030 -8.168669\nMg Zr Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.251637 0.251637 Zn\n0.000000 0.748363 0.748363 Zn\n",
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"volume": 1086.4708907600163,
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"formula_full": "Mg1 Zr1 Zn2",
"formula_reduced": "MgZrZn2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:48.400000Z",
"spacegroup": 71
}
]
}