CeSn2F8
Alexandria ALEXAlex-ID: agm080992981 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_3530_spg2
Sn5F12 Ce2F7 SnF2
2025-02-24 02:04:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080992981).
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 agm080992981
data_agm080992981
_cell_length_a 6.79836
_cell_length_b 6.72557
_cell_length_c 6.71172
_cell_angle_alpha 60.89052
_cell_angle_beta 60.10544
_cell_angle_gamma 60.21420
_cell_volume 218.95193
_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 0.00377 0.99656 0.90594 1.00000
Sn1 Sn 0.20467 0.29747 0.20812 1.00000
Sn2 Sn 0.70515 0.79664 0.70735 1.00000
F1 F 0.33359 0.05731 0.56369 1.00000
F2 F 0.59082 0.12352 0.03600 1.00000
F3 F 0.18209 0.11294 0.02594 1.00000
F4 F 0.88569 0.40956 0.74048 1.00000
F5 F 0.93505 0.05781 0.57199 1.00000
F6 F 0.33588 0.65783 0.95915 1.00000
F7 F 0.93468 0.66581 0.96193 1.00000
F8 F 0.88861 0.82454 0.31942 1.00000
获取直接链接