K3Rb4
Alexandria ALEXAlex-ID: agm017108827 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_0_spg12
Rb K
2025-06-17 09:34:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017108827).
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
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# CIF generated by HEAS from Alexandria entry agm017108827
data_agm017108827
_cell_length_a 4.69036
_cell_length_b 12.28705
_cell_length_c 11.75211
_cell_angle_alpha 118.40007
_cell_angle_beta 90.80447
_cell_angle_gamma 99.71657
_cell_volume 583.73875
_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 0.77896 0.57327 0.86957 1.00000
K2 K 0.22104 0.42673 0.13043 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.56491 0.13801 0.73041 1.00000
Rb2 Rb 0.43509 0.86199 0.26959 1.00000
Rb3 Rb 0.85661 0.70563 0.54955 1.00000
Rb4 Rb 0.14339 0.29437 0.45045 1.00000
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