SrMg11Cu
Alexandria ALEXAlex-ID: agm005698564 · 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
ABC11_5_spg12
Sr2Mg17 Mg2Cu Mg
2023-06-29 15:09:37.110616
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698564).
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 agm005698564
data_agm005698564
_cell_length_a 5.68680
_cell_length_b 7.77989
_cell_length_c 7.86910
_cell_angle_alpha 83.19015
_cell_angle_beta 68.81764
_cell_angle_gamma 70.84318
_cell_volume 306.65114
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.29822 0.22773 0.21066 1.00000
Mg2 Mg 0.70178 0.77227 0.78934 1.00000
Mg3 Mg 0.49112 0.77227 0.21066 1.00000
Mg4 Mg 0.50888 0.22773 0.78934 1.00000
Mg5 Mg 0.35050 0.63980 0.65120 1.00000
Mg6 Mg 0.64950 0.36020 0.34880 1.00000
Mg7 Mg 0.99830 0.36020 0.65120 1.00000
Mg8 Mg 0.00170 0.63980 0.34880 1.00000
Mg9 Mg 0.00000 0.50000 0.00000 1.00000
Mg10 Mg 0.50000 0.00000 0.50000 1.00000
Mg11 Mg 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
获取直接链接