K2RbCeI6
Alexandria ALEXAlex-ID: agm004961981 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
K3CeI6 Rb2CeI5 KI
2022-07-23 21:40:33.701032
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004961981).
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 agm004961981
data_agm004961981
_cell_length_a 8.83786
_cell_length_b 8.83794
_cell_length_c 9.31923
_cell_angle_alpha 61.69388
_cell_angle_beta 61.69471
_cell_angle_gamma 59.99950
_cell_volume 527.49820
_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
K1 K 0.52455 0.52456 0.42633 1.00000
K2 K 0.01316 0.01316 0.96053 1.00000
Rb1 Rb 0.81471 0.81472 0.55586 1.00000
Ce1 Ce 0.32508 0.32507 0.02477 1.00000
I1 I 0.56834 0.21994 0.24408 1.00000
I2 I 0.21994 0.96764 0.24408 1.00000
I3 I 0.96764 0.56833 0.24409 1.00000
I4 I 0.40765 0.69076 0.77182 1.00000
I5 I 0.69075 0.12978 0.77182 1.00000
I6 I 0.12978 0.40765 0.77182 1.00000
获取直接链接