LaZn11Ru
Alexandria ALEXAlex-ID: agm005694262 · 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
La3Zn22 La2Zn17 Zn3Ru
2023-06-29 15:51:21.097082
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694262).
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 agm005694262
data_agm005694262
_cell_length_a 5.12293
_cell_length_b 6.89110
_cell_length_c 7.00370
_cell_angle_alpha 82.04108
_cell_angle_beta 68.54746
_cell_angle_gamma 67.75344
_cell_volume 212.99055
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.27820 0.22651 0.22680 1.00000
Zn2 Zn 0.72180 0.77349 0.77320 1.00000
Zn3 Zn 0.49500 0.77349 0.22680 1.00000
Zn4 Zn 0.50500 0.22651 0.77320 1.00000
Zn5 Zn 0.37434 0.63869 0.65187 1.00000
Zn6 Zn 0.62566 0.36131 0.34813 1.00000
Zn7 Zn 0.97379 0.36131 0.65187 1.00000
Zn8 Zn 0.02621 0.63869 0.34813 1.00000
Zn9 Zn 0.00000 0.50000 0.00000 1.00000
Zn10 Zn 0.50000 0.00000 0.50000 1.00000
Zn11 Zn 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
获取直接链接