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"spacegroup": 38
},
{
"id": "mp-864717",
"created_at": "2022-09-04T14:47:18.670512Z",
"structure_string": "Pa1 Cu2 Sn1\n1.0\n0.000000 3.344818 3.344818\n3.344818 0.000000 3.344818\n3.344818 3.344818 0.000000\nPa Cu Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Pa\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Sn\n",
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"elements": [
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"Cu",
"Sn"
],
"chemical_system": "Cu-Pa-Sn",
"density": 10.579676181643553,
"density_atomic": 0.053445669360911024,
"volume": 74.84235949948662,
"volume_molar": 11.267780592910789,
"formula_full": "Pa1 Cu2 Sn1",
"formula_reduced": "PaCu2Sn",
"formula_anonymous": "ABC2",
"energy": -22.25023746,
"energy_per_atom": -5.562559365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.25023746,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.3938416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.967000Z",
"spacegroup": 225
},
{
"id": "mp-975997",
"created_at": "2022-09-04T14:47:18.674464Z",
"structure_string": "Na1 Li2 Pb1\n1.0\n0.000000 3.521979 3.521979\n3.521979 0.000000 3.521979\n3.521979 3.521979 0.000000\nNa Li Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Pb\n",
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"elements": [
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"Li",
"Pb"
],
"chemical_system": "Li-Na-Pb",
"density": 4.638487224331075,
"density_atomic": 0.04577935919494425,
"volume": 87.3756223403352,
"volume_molar": 13.154707418152482,
"formula_full": "Na1 Li2 Pb1",
"formula_reduced": "NaLi2Pb",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -9.83898968,
"band_gap": 0.0,
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"total_magnetization": 0.0056358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.561000Z",
"spacegroup": 225
}
]
}