Rb6PBr2
Alexandria ALEXAlex-ID: agm097183786 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_94_spg6
Rb5P4 Rb RbBr
2025-04-07 06:26:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097183786).
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 agm097183786
data_agm097183786
_cell_length_a 6.63981
_cell_length_b 6.63564
_cell_length_c 13.63391
_cell_angle_alpha 94.87061
_cell_angle_beta 69.62400
_cell_angle_gamma 84.51552
_cell_volume 556.02235
_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
Rb1 Rb 0.57734 0.33458 0.99610 1.00000
Rb2 Rb 0.18452 0.45577 0.50366 1.00000
Rb3 Rb 0.93130 0.35633 0.20738 1.00000
Rb4 Rb 0.10390 0.75989 0.83903 1.00000
Rb5 Rb 0.38493 0.89249 0.29189 1.00000
Rb6 Rb 0.60307 0.08366 0.66129 1.00000
P1 P 0.39856 0.38384 0.25004 1.00000
Br1 Br 0.15642 0.26591 0.90386 1.00000
Br2 Br 0.15997 0.96753 0.59675 1.00000
获取直接链接