RbNbH6
Alexandria ALEXAlex-ID: agm079366527 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_34_spg2
RbNbH6
2025-06-26 03:58:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079366527).
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 agm079366527
data_agm079366527
_cell_length_a 3.08231
_cell_length_b 5.41590
_cell_length_c 5.51599
_cell_angle_alpha 90.13724
_cell_angle_beta 99.41991
_cell_angle_gamma 89.93847
_cell_volume 90.83922
_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 0.85308 0.99836 0.09588 1.00000
Nb1 Nb 0.19907 0.50007 0.59450 1.00000
H1 H 0.10983 0.49372 0.26601 1.00000
H2 H 0.66225 0.69140 0.48120 1.00000
H3 H 0.25194 0.21837 0.75995 1.00000
H4 H 0.66575 0.30348 0.48893 1.00000
H5 H 0.76159 0.50477 0.81585 1.00000
H6 H 0.24650 0.78982 0.74769 1.00000
获取直接链接