Al4Zn2Ag5
Alexandria ALEXAlex-ID: agm005654432 · 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
A2B4C5_175_spg12
AlAg2 Al3Zn4
2023-06-21 09:45:32.626743
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654432).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005654432
data_agm005654432
_cell_length_a 3.02923
_cell_length_b 6.58252
_cell_length_c 9.54576
_cell_angle_alpha 94.22593
_cell_angle_beta 99.12970
_cell_angle_gamma 89.99994
_cell_volume 187.40691
_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
Al1 Al 0.27177 0.17528 0.54353 1.00000
Al2 Al 0.95629 0.66465 0.91258 1.00000
Al3 Al 0.72823 0.82472 0.45647 1.00000
Al4 Al 0.04371 0.33535 0.08742 1.00000
Zn1 Zn 0.41675 0.32269 0.83349 1.00000
Zn2 Zn 0.58325 0.67731 0.16651 1.00000
Ag1 Ag 0.81755 0.52068 0.63509 1.00000
Ag2 Ag 0.18245 0.47932 0.36491 1.00000
Ag3 Ag 0.86530 0.97037 0.73058 1.00000
Ag4 Ag 0.50000 0.00000 0.00000 1.00000
Ag5 Ag 0.13470 0.02963 0.26942 1.00000
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