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{
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{
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{
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{
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{
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{
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8944537,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.010000Z",
"spacegroup": 121
},
{
"id": "mp-22397",
"created_at": "2022-09-04T14:47:27.369473Z",
"structure_string": "Nd1 Ge2 Ru2\n1.0\n-2.150001 2.150001 5.052807\n2.150001 -2.150001 5.052807\n2.150001 2.150001 -5.052807\nNd Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.632656 0.632656 0.000000 Ge\n0.367344 0.367344 0.000000 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Ru"
],
"chemical_system": "Ge-Nd-Ru",
"density": 8.738677575104708,
"density_atomic": 0.05351801281339853,
"volume": 93.4264883383006,
"volume_molar": 11.252549269714896,
"formula_full": "Nd1 Ge2 Ru2",
"formula_reduced": "Nd(GeRu)2",
"formula_anonymous": "AB2C2",
"energy": -35.86702267,
"energy_per_atom": -7.173404533999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.86702267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0089514,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.300000Z",
"spacegroup": 139
}
]
}