CeThSn
Alexandria ALEXAlex-ID: agm005643173 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_225_spg8
Th3Sn2 Ce3Sn
2023-06-18 11:22:35.795495
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643173).
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 agm005643173
data_agm005643173
_cell_length_a 5.41569
_cell_length_b 6.25390
_cell_length_c 6.25389
_cell_angle_alpha 63.11209
_cell_angle_beta 64.34288
_cell_angle_gamma 64.34287
_cell_volume 162.71013
_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
Ce1 Ce 0.85165 0.14835 0.14835 1.00000
Ce2 Ce 0.14835 0.85165 0.85165 1.00000
Th1 Th 0.17295 0.32705 0.32705 1.00000
Th2 Th 0.82705 0.67295 0.67295 1.00000
Sn1 Sn 0.50000 0.74155 0.25845 1.00000
Sn2 Sn 0.50000 0.25845 0.74155 1.00000
获取直接链接