K2RbRhF6
Alexandria ALEXAlex-ID: agm078939734 · 空间群: Pc (#7)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_2624_spg7
K3RhF6 KRb2RhF6
2025-01-09 11:18:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078939734).
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 agm078939734
data_agm078939734
_cell_length_a 6.28733
_cell_length_b 6.43413
_cell_length_c 10.90110
_cell_angle_alpha 90.00000
_cell_angle_beta 124.71304
_cell_angle_gamma 90.00000
_cell_volume 362.49827
_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 0.22601 0.75463 0.27602 1.00000
K2 K 0.96338 0.70224 0.52579 1.00000
K3 K 0.22601 0.24537 0.77602 1.00000
K4 K 0.96338 0.29776 0.02579 1.00000
Rb1 Rb 0.48562 0.20858 0.52611 1.00000
Rb2 Rb 0.48562 0.79142 0.02611 1.00000
Rh1 Rh 0.72574 0.74613 0.77561 1.00000
Rh2 Rh 0.72574 0.25387 0.27561 1.00000
F1 F 0.60347 0.00581 0.82394 1.00000
F2 F 0.85844 0.50841 0.23070 1.00000
F3 F 0.01672 0.71586 0.99357 1.00000
F4 F 0.42599 0.22879 0.05859 1.00000
F5 F 0.50476 0.43657 0.31138 1.00000
F6 F 0.94808 0.92305 0.73677 1.00000
F7 F 0.01672 0.28414 0.49357 1.00000
F8 F 0.42599 0.77121 0.55859 1.00000
F9 F 0.85844 0.49159 0.73070 1.00000
F10 F 0.60347 0.99419 0.32394 1.00000
F11 F 0.94808 0.07695 0.23677 1.00000
F12 F 0.50476 0.56343 0.81138 1.00000
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