K5Rb
Alexandria ALEXAlex-ID: agm047679167 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_81_spg51
Rb K
2025-02-02 06:55:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047679167).
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 agm047679167
data_agm047679167
_cell_length_a 5.01748
_cell_length_b 11.75897
_cell_length_c 15.21802
_cell_angle_alpha 90.00000
_cell_angle_beta 90.13048
_cell_angle_gamma 90.00000
_cell_volume 897.86574
_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 0.49884 0.88177 0.50510 1.00000
K2 K 0.50116 0.38177 0.49490 1.00000
K3 K 0.99960 0.13303 0.99227 1.00000
K4 K 0.49970 0.36800 0.16335 1.00000
K5 K 0.00040 0.63303 0.00773 1.00000
K6 K 0.50030 0.86800 0.83665 1.00000
K7 K 0.50133 0.39761 0.84039 1.00000
K8 K 0.99994 0.12693 0.33524 1.00000
K9 K 0.49867 0.89761 0.15961 1.00000
K10 K 0.00006 0.62693 0.66476 1.00000
Rb1 Rb 0.00232 0.13759 0.67293 1.00000
Rb2 Rb 0.99768 0.63759 0.32707 1.00000
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