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{
"id": "mp-1206696",
"created_at": "2022-09-04T14:39:15.277983Z",
"structure_string": "Er2 Ag1 Sb3\n1.0\n8.998827 0.000000 0.000000\n0.000000 8.998827 0.000000\n0.000000 0.000000 39.588004\nEr Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243001 Er\n0.500000 0.500000 0.756999 Er\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.691011 Sb\n0.500000 0.500000 0.308989 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
"id": "mp-1093935",
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"nsites": 4,
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"updated_at": "2021-11-28T01:35:18.415000Z",
"spacegroup": 71
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{
"id": "mp-1097326",
"created_at": "2022-09-04T14:40:04.980675Z",
"structure_string": "Mg1 Sc1 In2\n1.0\n-5.750991 6.057484 8.526908\n5.750991 -6.057484 8.526908\n5.750991 6.057484 -8.526908\nMg Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sc\n0.000000 0.249159 0.249159 In\n0.000000 0.750841 0.750841 In\n",
"nsites": 4,
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"elements": [
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"density": 0.4177187728491467,
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"volume": 1188.191748905058,
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"formula_full": "Mg1 Sc1 In2",
"formula_reduced": "MgScIn2",
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"updated_at": "2021-11-28T01:34:46.285000Z",
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{
"id": "mp-1097385",
"created_at": "2022-09-04T14:45:34.925594Z",
"structure_string": "Li2 Cu1 Pd1\n1.0\n-4.878084 5.159699 7.267841\n4.878084 -5.159699 7.267841\n4.878084 5.159699 -7.267841\nLi Cu Pd\n2 1 1\ndirect\n0.000000 0.250838 0.250838 Li\n0.000000 0.749162 0.749162 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Cu",
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],
"chemical_system": "Cu-Li-Pd",
"density": 0.41722368708015645,
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"volume": 731.7101012475006,
"volume_molar": 110.16153063065751,
"formula_full": "Li2 Cu1 Pd1",
"formula_reduced": "Li2CuPd",
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"updated_at": "2021-11-28T01:37:01.982000Z",
"spacegroup": 71
},
{
"id": "mp-1096752",
"created_at": "2022-09-04T14:42:06.225123Z",
"structure_string": "Li1 Y2 Pd1\n1.0\n-5.803847 5.950299 8.399333\n5.803847 -5.950299 8.399333\n5.803847 5.950299 -8.399333\nLi Y Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.286217 0.286217 Y\n0.000000 0.713783 0.713783 Y\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.41671603828105785,
"density_atomic": 0.0034474696842737196,
"volume": 1160.2712616290003,
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"formula_full": "Li1 Y2 Pd1",
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"energy_uncorrected": -12.51780887,
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"updated_at": "2021-11-28T01:35:31.475000Z",
"spacegroup": 71
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{
"id": "mp-1097498",
"created_at": "2022-09-04T14:44:19.086722Z",
"structure_string": "Mg2 Cd1 Sn1\n1.0\n-5.594506 5.934926 8.393771\n5.594506 -5.934926 8.393771\n5.594506 5.934926 -8.393771\nMg Cd Sn\n2 1 1\ndirect\n0.000000 0.252302 0.252302 Mg\n0.000000 0.747698 0.747698 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Cd",
"Sn"
],
"chemical_system": "Cd-Mg-Sn",
"density": 0.4166731685643693,
"density_atomic": 0.0035881106818722087,
"volume": 1114.7928128886133,
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"formula_full": "Mg2 Cd1 Sn1",
"formula_reduced": "Mg2CdSn",
"formula_anonymous": "ABC2",
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"band_gap": 0.4556,
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"total_magnetization": 1.9999902,
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"updated_at": "2021-11-28T01:36:33.783000Z",
"spacegroup": 71
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{
"id": "mp-1093610",
"created_at": "2022-09-04T14:40:14.404628Z",
"structure_string": "Li1 Y2 Tl1\n1.0\n-6.422667 6.544860 9.254171\n6.422667 -6.544860 9.254171\n6.422667 6.544860 -9.254171\nLi Y Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.264595 0.264595 Y\n0.000000 0.735405 0.735405 Y\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Y",
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"density": 0.41527637971128906,
"density_atomic": 0.002570672272715793,
"volume": 1556.0132041935435,
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"formula_full": "Li1 Y2 Tl1",
"formula_reduced": "LiY2Tl",
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"energy_uncorrected": -8.77764464,
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"total_magnetization": 3.12e-05,
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"updated_at": "2021-11-28T01:34:50.426000Z",
"spacegroup": 71
},
{
"id": "mp-1097513",
"created_at": "2022-09-04T14:42:21.661725Z",
"structure_string": "Li1 Ga2 Co1\n1.0\n-5.036153 5.354660 7.616761\n5.036153 -5.354660 7.616761\n5.036153 5.354660 -7.616761\nLi Ga Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.270160 0.270160 Ga\n0.000000 0.729840 0.729840 Ga\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
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"density": 0.4149727989347068,
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"formula_full": "Li1 Ga2 Co1",
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"updated_at": "2021-11-28T01:35:46.897000Z",
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{
"id": "mp-1095796",
"created_at": "2022-09-04T14:39:09.862556Z",
"structure_string": "Sr2 Zn1 Hg1\n1.0\n-6.602590 7.174756 9.335879\n6.602590 -7.174756 9.335879\n6.602590 7.174756 -9.335879\nSr Zn Hg\n2 1 1\ndirect\n0.249283 0.000000 0.249283 Sr\n0.750717 0.000000 0.750717 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.4141773237978437,
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"volume": 1769.0360024759325,
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"formula_full": "Sr2 Zn1 Hg1",
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"updated_at": "2021-11-28T01:34:33.791000Z",
"spacegroup": 71
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{
"id": "mp-1096285",
"created_at": "2022-09-04T14:45:31.334232Z",
"structure_string": "Li2 Cu1 Ag1\n1.0\n-4.990771 5.135618 7.252674\n4.990771 -5.135618 7.252674\n4.990771 5.135618 -7.252674\nLi Cu Ag\n2 1 1\ndirect\n0.000000 0.243824 0.243824 Li\n0.000000 0.756176 0.756176 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"volume": 743.5642539592702,
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"spacegroup": 71
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{
"id": "mp-1098698",
"created_at": "2022-09-04T14:47:56.410844Z",
"structure_string": "Y2 Ni1 Pt1\n1.0\n-5.010501 7.857738 11.004271\n5.010501 -7.857738 11.004271\n5.010501 7.857738 -11.004271\nY Ni Pt\n2 1 1\ndirect\n0.000000 0.241746 0.241746 Y\n0.000000 0.758254 0.758254 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pt\n",
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"volume": 1733.0055983474313,
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"updated_at": "2021-11-28T01:38:22.127000Z",
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{
"id": "mp-1096094",
"created_at": "2022-09-04T14:39:23.278107Z",
"structure_string": "Li1 Mg1 Ag2\n1.0\n-5.276264 5.764068 8.154382\n5.276264 -5.764068 8.154382\n5.276264 5.764068 -8.154382\nLi Mg Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250976 0.250976 Ag\n0.000000 0.749024 0.749024 Ag\n",
"nsites": 4,
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"volume": 991.9885446969149,
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"formula_full": "Li1 Mg1 Ag2",
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"updated_at": "2021-11-28T01:34:37.105000Z",
"spacegroup": 71
}
]
}