CsK9Rb2
Alexandria ALEXAlex-ID: agm071553343 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_361_spg212
CsK2 K Rb
2024-09-12 17:03:54.809271
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071553343).
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 agm071553343
data_agm071553343
_cell_length_a 15.61941
_cell_length_b 15.61941
_cell_length_c 15.61941
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 3810.60184
_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
Cs1 Cs 0.12500 0.12500 0.12500 1.00000
Cs2 Cs 0.37500 0.87500 0.62500 1.00000
Cs3 Cs 0.87500 0.62500 0.37500 1.00000
Cs4 Cs 0.62500 0.37500 0.87500 1.00000
K1 K 0.12500 0.75484 0.49516 1.00000
K2 K 0.37500 0.24516 0.99516 1.00000
K3 K 0.87500 0.25484 0.00484 1.00000
K4 K 0.62500 0.74516 0.50484 1.00000
K5 K 0.49516 0.12500 0.75484 1.00000
K6 K 0.99516 0.37500 0.24516 1.00000
K7 K 0.00484 0.87500 0.25484 1.00000
K8 K 0.50484 0.62500 0.74516 1.00000
K9 K 0.75484 0.49516 0.12500 1.00000
K10 K 0.24516 0.99516 0.37500 1.00000
K11 K 0.25484 0.00484 0.87500 1.00000
K12 K 0.74516 0.50484 0.62500 1.00000
K13 K 0.22860 0.81253 0.08925 1.00000
K14 K 0.27140 0.18747 0.58925 1.00000
K15 K 0.77140 0.31253 0.41075 1.00000
K16 K 0.72860 0.68747 0.91075 1.00000
K17 K 0.08925 0.22860 0.81253 1.00000
K18 K 0.58925 0.27140 0.18747 1.00000
K19 K 0.41075 0.77140 0.31253 1.00000
K20 K 0.91075 0.72860 0.68747 1.00000
K21 K 0.81253 0.08925 0.22860 1.00000
K22 K 0.18747 0.58925 0.27140 1.00000
K23 K 0.31253 0.41075 0.77140 1.00000
K24 K 0.68747 0.91075 0.72860 1.00000
K25 K 0.06253 0.97860 0.66075 1.00000
K26 K 0.43747 0.02140 0.16075 1.00000
K27 K 0.56253 0.52140 0.33925 1.00000
K28 K 0.93747 0.47860 0.83925 1.00000
K29 K 0.47860 0.83925 0.93747 1.00000
K30 K 0.52140 0.33925 0.56253 1.00000
K31 K 0.02140 0.16075 0.43747 1.00000
K32 K 0.97860 0.66075 0.06253 1.00000
K33 K 0.33925 0.56253 0.52140 1.00000
K34 K 0.83925 0.93747 0.47860 1.00000
K35 K 0.66075 0.06253 0.97860 1.00000
K36 K 0.16075 0.43747 0.02140 1.00000
Rb1 Rb 0.93711 0.93711 0.93711 1.00000
Rb2 Rb 0.56289 0.06289 0.43711 1.00000
Rb3 Rb 0.06289 0.43711 0.56289 1.00000
Rb4 Rb 0.43711 0.56289 0.06289 1.00000
Rb5 Rb 0.18711 0.68711 0.81289 1.00000
Rb6 Rb 0.31289 0.31289 0.31289 1.00000
Rb7 Rb 0.68711 0.81289 0.18711 1.00000
Rb8 Rb 0.81289 0.18711 0.68711 1.00000
