Mg3Al2Au7
Alexandria ALEXAlex-ID: agm024791324 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_261_spg2
Mg2AlAu5 MgAlAu2
2025-05-17 00:36:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024791324).
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 agm024791324
data_agm024791324
_cell_length_a 4.66698
_cell_length_b 5.09412
_cell_length_c 9.90828
_cell_angle_alpha 89.02843
_cell_angle_beta 78.76986
_cell_angle_gamma 79.72199
_cell_volume 227.30454
_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 0.02389 0.96963 0.00349 1.00000
Mg2 Mg 0.79775 0.21068 0.33272 1.00000
Mg3 Mg 0.22156 0.74617 0.66827 1.00000
Al1 Al 0.58292 0.61826 0.11986 1.00000
Al2 Al 0.47903 0.31850 0.88313 1.00000
Au1 Au 0.18734 0.35984 0.47879 1.00000
Au2 Au 0.41555 0.15594 0.14025 1.00000
Au3 Au 0.43015 0.82152 0.39340 1.00000
Au4 Au 0.02177 0.66931 0.23641 1.00000
Au5 Au 0.63107 0.78158 0.86315 1.00000
Au6 Au 0.04190 0.26924 0.77125 1.00000
Au7 Au 0.66793 0.07903 0.60875 1.00000
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