SrLa4Hg5
Alexandria ALEXAlex-ID: agm014339875 · 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
AB4C5_288_spg12
SrLa2Hg3 LaHg
2024-11-27 15:39:26.064340
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014339875).
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 agm014339875
data_agm014339875
_cell_length_a 8.78539
_cell_length_b 8.78539
_cell_length_c 6.79468
_cell_angle_alpha 74.95822
_cell_angle_beta 105.04178
_cell_angle_gamma 143.12646
_cell_volume 302.68309
_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 0.50000 0.50000 0.50000 1.00000
La1 La 0.69900 0.30100 0.30182 1.00000
La2 La 0.90174 0.09826 0.10976 1.00000
La3 La 0.30100 0.69900 0.69818 1.00000
La4 La 0.09826 0.90174 0.89024 1.00000
Hg1 Hg 0.29624 0.70376 0.19181 1.00000
Hg2 Hg 0.10323 0.89677 0.39353 1.00000
Hg3 Hg 0.89677 0.10323 0.60647 1.00000
Hg4 Hg 0.50000 0.50000 0.00000 1.00000
Hg5 Hg 0.70376 0.29624 0.80819 1.00000
获取直接链接