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{
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{
"id": "mp-1093943",
"created_at": "2022-09-04T14:44:21.479065Z",
"structure_string": "In1 Ag2 Au1\n1.0\n-5.307684 5.804559 8.205112\n5.307684 -5.804559 8.205112\n5.307684 5.804559 -8.205112\nIn Ag Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.248989 0.248989 Ag\n0.000000 0.751011 0.751011 Ag\n0.000000 0.500000 0.500000 Au\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:36:13.736000Z",
"spacegroup": 71
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{
"id": "mp-1097050",
"created_at": "2022-09-04T14:41:26.260746Z",
"structure_string": "Y1 Mg1 Cu2\n1.0\n-5.482431 5.702288 8.090345\n5.482431 -5.702288 8.090345\n5.482431 5.702288 -8.090345\nY Mg Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.251518 0.251518 Cu\n0.000000 0.748482 0.748482 Cu\n",
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"elements": [
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"Mg",
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"chemical_system": "Cu-Mg-Y",
"density": 0.394419758990937,
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"volume": 1011.6944223615549,
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"formula_full": "Y1 Mg1 Cu2",
"formula_reduced": "YMgCu2",
"formula_anonymous": "ABC2",
"energy": -8.79269075,
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"updated_at": "2021-11-28T01:35:12.625000Z",
"spacegroup": 71
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{
"id": "mp-1097357",
"created_at": "2022-09-04T14:45:02.155657Z",
"structure_string": "Y2 Cu1 Pt1\n1.0\n-5.230039 5.864025 8.251187\n5.230039 -5.864025 8.251187\n5.230039 5.864025 -8.251187\nY Cu Pt\n2 1 1\ndirect\n0.000000 0.261899 0.261899 Y\n0.000000 0.738101 0.738101 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
"chemical_system": "Cu-Pt-Y",
"density": 0.7159755216033526,
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"volume": 1012.225238539389,
"volume_molar": 152.39407168271944,
"formula_full": "Y2 Cu1 Pt1",
"formula_reduced": "Y2CuPt",
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"energy": -15.95894779,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:47.001000Z",
"spacegroup": 71
},
{
"id": "mp-1096233",
"created_at": "2022-09-04T14:46:52.441930Z",
"structure_string": "Y1 Ag1 Pd2\n1.0\n-5.076501 5.939129 8.393382\n5.076501 -5.939129 8.393382\n5.076501 5.939129 -8.393382\nY Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.235787 0.235787 Pd\n0.000000 0.764213 0.764213 Pd\n",
"nsites": 4,
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"density": 0.6719542842166693,
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"volume": 1012.241678087023,
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"energy_uncorrected": -14.21285437,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.920000Z",
"spacegroup": 71
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{
"id": "mp-1096140",
"created_at": "2022-09-04T14:47:42.889309Z",
"structure_string": "La2 Ir1 Ru1\n1.0\n-4.856013 6.071900 8.586681\n4.856013 -6.071900 8.586681\n4.856013 6.071900 -8.586681\nLa Ir Ru\n2 1 1\ndirect\n0.000000 0.242442 0.242442 La\n0.000000 0.757558 0.757558 La\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n",
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"elements": [
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"Ir",
"Ru"
],
"chemical_system": "Ir-La-Ru",
"density": 0.9364183590592001,
"density_atomic": 0.00394975556763628,
"volume": 1012.7208966487485,
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"formula_full": "La2 Ir1 Ru1",
"formula_reduced": "La2IrRu",
"formula_anonymous": "ABC2",
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"band_gap": 0.0137999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.672000Z",
"spacegroup": 71
},
{
"id": "mp-1096732",
"created_at": "2022-09-04T14:42:21.964926Z",
"structure_string": "Tl1 Cd1 Pd2\n1.0\n-5.246428 5.842577 8.261679\n5.246428 -5.842577 8.261679\n5.246428 5.842577 -8.261679\nTl Cd Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.252874 0.252874 Pd\n0.000000 0.747126 0.747126 Pd\n",
"nsites": 4,
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"elements": [
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"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Tl",
"density": 0.8682178899564899,
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"volume": 1012.9697352877846,
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"formula_full": "Tl1 Cd1 Pd2",
"formula_reduced": "TlCdPd2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.323000Z",
"spacegroup": 71
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{
"id": "mp-1095857",
"created_at": "2022-09-04T14:46:04.234878Z",
"structure_string": "Sc2 Ag1 Pd1\n1.0\n-5.175658 5.856797 8.356656\n5.175658 -5.856797 8.356656\n5.175658 5.856797 -8.356656\nSc Ag Pd\n2 1 1\ndirect\n0.000000 0.227409 0.227409 Sc\n0.000000 0.772591 0.772591 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
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"density": 0.498528605110341,
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"volume": 1013.253840872088,
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"formula_full": "Sc2 Ag1 Pd1",
"formula_reduced": "Sc2AgPd",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.167000Z",
"spacegroup": 71
},
{
"id": "mp-1096457",
"created_at": "2022-09-04T14:42:53.982328Z",
"structure_string": "Hf2 Re1 Ag1\n1.0\n-5.194151 5.872403 8.306231\n5.194151 -5.872403 8.306231\n5.194151 5.872403 -8.306231\nHf Re Ag\n2 1 1\ndirect\n0.000000 0.279434 0.279434 Hf\n0.000000 0.720566 0.720566 Hf\n0.000000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Re",
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"density": 1.0667741674826223,
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"volume": 1013.4315463077495,
"volume_molar": 152.57568556224314,
"formula_full": "Hf2 Re1 Ag1",
"formula_reduced": "Hf2ReAg",
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"total_magnetization": 3.6e-06,
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"updated_at": "2021-11-28T01:35:58.623000Z",
"spacegroup": 71
},
{
"id": "mp-1097539",
"created_at": "2022-09-04T14:44:58.166422Z",
"structure_string": "Ag1 Pd2 Pb1\n1.0\n-5.167659 5.889676 8.324546\n5.167659 -5.889676 8.324546\n5.167659 5.889676 -8.324546\nAg Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.258159 0.258159 Pd\n0.000000 0.741841 0.741841 Pd\n0.000000 0.500000 0.500000 Pb\n",
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"spacegroup": 71
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{
"id": "mp-1093818",
"created_at": "2022-09-04T14:45:16.423123Z",
"structure_string": "Li1 Cd2 Ir1\n1.0\n-5.439470 5.741305 8.115416\n5.439470 -5.741305 8.115416\n5.439470 5.741305 -8.115416\nLi Cd Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.252124 0.252124 Cd\n0.000000 0.747876 0.747876 Cd\n0.000000 0.500000 0.500000 Ir\n",
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"formula_full": "Li1 Cd2 Ir1",
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{
"id": "mp-1097206",
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"structure_string": "Sc2 Ag1 Sn1\n1.0\n-5.481252 5.680899 8.139391\n5.481252 -5.680899 8.139391\n5.481252 5.680899 -8.139391\nSc Ag Sn\n2 1 1\ndirect\n0.000000 0.255020 0.255020 Sc\n0.000000 0.744980 0.744980 Sc\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n",
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"formula_full": "Sc2 Ag1 Sn1",
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"updated_at": "2021-11-28T01:38:06.859000Z",
"spacegroup": 71
}
]
}