Cd(AuI3)2
Alexandria ALEXAlex-ID: agm003496258 · 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
AB2C6_942_spg12
AuI3 AuI CdI2
2022-02-23 18:17:34.634942
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003496258).
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 agm003496258
data_agm003496258
_cell_length_a 5.71063
_cell_length_b 8.38642
_cell_length_c 8.86967
_cell_angle_alpha 95.22977
_cell_angle_beta 90.00000
_cell_angle_gamma 109.90544
_cell_volume 397.52470
_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
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
Au1 Au 0.71403 0.42805 0.84882 1.00000
Au2 Au 0.28597 0.57195 0.15118 1.00000
I1 I 0.94171 0.88342 0.77246 1.00000
I2 I 0.78086 0.56172 0.13748 1.00000
I3 I 0.21914 0.43828 0.86252 1.00000
I4 I 0.63887 0.27774 0.57097 1.00000
I5 I 0.36113 0.72226 0.42903 1.00000
I6 I 0.05829 0.11658 0.22754 1.00000
获取直接链接