K2Rb
Alexandria ALEXAlex-ID: agm017014077 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_669_spg194
Rb K
2025-01-21 00:59:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017014077).
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 agm017014077
data_agm017014077
_cell_length_a 7.57740
_cell_length_b 11.77006
_cell_length_c 11.74135
_cell_angle_alpha 80.19646
_cell_angle_beta 71.47875
_cell_angle_gamma 70.71074
_cell_volume 934.69107
_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 0.91514 0.70180 0.45373 1.00000
K2 K 0.08486 0.29820 0.54627 1.00000
K3 K 0.08309 0.79764 0.04922 1.00000
K4 K 0.91691 0.20236 0.95078 1.00000
K5 K 0.42957 0.95163 0.20266 1.00000
K6 K 0.57043 0.04837 0.79734 1.00000
K7 K 0.57037 0.54753 0.29820 1.00000
K8 K 0.42963 0.45247 0.70180 1.00000
Rb1 Rb 0.24334 0.87556 0.62610 1.00000
Rb2 Rb 0.75666 0.12444 0.37390 1.00000
Rb3 Rb 0.75462 0.62563 0.87600 1.00000
Rb4 Rb 0.24538 0.37437 0.12400 1.00000
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