Mg2Ag2Au3
Alexandria ALEXAlex-ID: agm009772406 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_101_spg12
Mg5AgAu6 MgAu3 Ag
2024-03-17 08:17:02.997062
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009772406).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm009772406
data_agm009772406
_cell_length_a 5.16772
_cell_length_b 5.16772
_cell_length_c 6.66551
_cell_angle_alpha 83.45780
_cell_angle_beta 83.45780
_cell_angle_gamma 45.08592
_cell_volume 125.09428
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.92476 0.92476 0.71805 1.00000
Mg2 Mg 0.07524 0.07524 0.28195 1.00000
Ag1 Ag 0.78610 0.78610 0.14344 1.00000
Ag2 Ag 0.21390 0.21390 0.85656 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.63740 0.63740 0.57091 1.00000
Au3 Au 0.36260 0.36260 0.42909 1.00000
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