CsK17
Alexandria ALEXAlex-ID: agm068213614 · 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
AB17_3_spg12
CsK2 K
2024-12-21 18:59:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068213614).
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 agm068213614
data_agm068213614
_cell_length_a 8.23391
_cell_length_b 8.23391
_cell_length_c 23.20346
_cell_angle_alpha 87.40299
_cell_angle_beta 92.59701
_cell_angle_gamma 58.17509
_cell_volume 1330.81270
_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 0.00000 0.00000 0.50000 1.00000
K1 K 0.08556 0.91444 0.83303 1.00000
K2 K 0.91444 0.08556 0.16697 1.00000
K3 K 0.32764 0.67236 0.32988 1.00000
K4 K 0.67236 0.32764 0.67012 1.00000
K5 K 0.64484 0.01216 0.32882 1.00000
K6 K 0.01216 0.64484 0.67118 1.00000
K7 K 0.98784 0.35516 0.32882 1.00000
K8 K 0.35516 0.98784 0.67118 1.00000
K9 K 0.57981 0.75323 0.16397 1.00000
K10 K 0.24677 0.42019 0.16397 1.00000
K11 K 0.75323 0.57981 0.83603 1.00000
K12 K 0.42019 0.24677 0.83603 1.00000
K13 K 0.50000 0.50000 0.00000 1.00000
K14 K 0.83426 0.83426 0.00000 1.00000
K15 K 0.16574 0.16574 0.00000 1.00000
K16 K 0.33232 0.33232 0.50000 1.00000
K17 K 0.66768 0.66768 0.50000 1.00000
获取直接链接