RbLi(BH6)2
Alexandria ALEXAlex-ID: agm096101906 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D12_75_spg1
RbLi(BH6)2
2025-06-14 10:20:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096101906).
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 agm096101906
data_agm096101906
_cell_length_a 6.83763
_cell_length_b 4.61536
_cell_length_c 8.29231
_cell_angle_alpha 92.25531
_cell_angle_beta 71.93542
_cell_angle_gamma 51.67464
_cell_volume 185.52416
_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 0.82399 0.92037 0.99129 1.00000
Li1 Li 0.00911 0.18747 0.43803 1.00000
B1 B 0.17424 0.59134 0.25932 1.00000
B2 B 0.84017 0.38665 0.74303 1.00000
H1 H 0.24633 0.49792 0.09853 1.00000
H2 H 0.61866 0.60686 0.87462 1.00000
H3 H 0.31492 0.65061 0.28871 1.00000
H4 H 0.85565 0.14089 0.65942 1.00000
H5 H 0.66398 0.70442 0.39949 1.00000
H6 H 0.34223 0.38778 0.61967 1.00000
H7 H 0.92723 0.88261 0.33698 1.00000
H8 H 0.03566 0.21300 0.78290 1.00000
H9 H 0.22323 0.32008 0.31503 1.00000
H10 H 0.84926 0.58525 0.65106 1.00000
H11 H 0.62898 0.58030 0.38969 1.00000
H12 H 0.44634 0.34445 0.65223 1.00000
获取直接链接