K7Rb4
Alexandria ALEXAlex-ID: agm009364451 · 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
A4B7_289_spg12
Rb K
2024-05-02 22:41:58.929152
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009364451).
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 agm009364451
data_agm009364451
_cell_length_a 4.59344
_cell_length_b 7.75161
_cell_length_c 24.76079
_cell_angle_alpha 99.21982
_cell_angle_beta 95.41585
_cell_angle_gamma 89.73732
_cell_volume 866.32216
_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 0.86392 0.36452 0.72788 1.00000
K2 K 0.13608 0.63548 0.27212 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
K4 K 0.46464 0.45654 0.91122 1.00000
K5 K 0.53536 0.54346 0.08878 1.00000
K6 K 0.67774 0.17960 0.36072 1.00000
K7 K 0.32226 0.82040 0.63928 1.00000
Rb1 Rb 0.40440 0.91078 0.82034 1.00000
Rb2 Rb 0.72891 0.72790 0.45632 1.00000
Rb3 Rb 0.27109 0.27210 0.54368 1.00000
Rb4 Rb 0.59560 0.08922 0.17966 1.00000
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