SrAlAg
Alexandria ALEXAlex-ID: agm003604643 · 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
ABC_51_spg12
SrAl3Ag SrAg
2022-03-06 03:08:34.065012
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003604643).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003604643
data_agm003604643
_cell_length_a 4.32581
_cell_length_b 6.21516
_cell_length_c 8.77138
_cell_angle_alpha 51.19769
_cell_angle_beta 60.60969
_cell_angle_gamma 69.77291
_cell_volume 159.87332
_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
Sr1 Sr 0.93894 0.45388 0.05546 1.00000
Sr2 Sr 0.48035 0.17425 0.65311 1.00000
Al1 Al 0.08929 0.73893 0.26224 1.00000
Al2 Al 0.33004 0.88919 0.44633 1.00000
Ag1 Ag 0.65954 0.03064 0.04572 1.00000
Ag2 Ag 0.75979 0.59748 0.66285 1.00000
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