Rb3Zn2H9
Alexandria ALEXAlex-ID: agm006356741 · 空间群: R-3c (#167)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_26_spg167
RbZnH3 RbH9 Rb2ZnH4
2023-12-21 08:49:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006356741).
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 agm006356741
data_agm006356741
_cell_length_a 7.54076
_cell_length_b 7.54076
_cell_length_c 7.54076
_cell_angle_alpha 84.19021
_cell_angle_beta 84.19020
_cell_angle_gamma 84.19021
_cell_volume 422.59952
_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
H1 H 0.74231 0.89702 0.04144 1.00000
H2 H 0.10298 0.95856 0.25769 1.00000
H3 H 0.25000 0.38039 0.11961 1.00000
H4 H 0.60298 0.75769 0.45856 1.00000
H5 H 0.61961 0.88039 0.75000 1.00000
H6 H 0.88039 0.75000 0.61961 1.00000
H7 H 0.24231 0.54144 0.39702 1.00000
H8 H 0.54144 0.39702 0.24231 1.00000
H9 H 0.95856 0.25769 0.10298 1.00000
H10 H 0.04144 0.74231 0.89702 1.00000
H11 H 0.45856 0.60298 0.75769 1.00000
H12 H 0.38039 0.11961 0.25000 1.00000
H13 H 0.75769 0.45856 0.60298 1.00000
H14 H 0.11961 0.25000 0.38039 1.00000
H15 H 0.39702 0.24231 0.54144 1.00000
H16 H 0.75000 0.61961 0.88039 1.00000
H17 H 0.89702 0.04144 0.74231 1.00000
H18 H 0.25769 0.10298 0.95856 1.00000
Zn1 Zn 0.15721 0.15721 0.15721 1.00000
Zn2 Zn 0.65721 0.65721 0.65721 1.00000
Zn3 Zn 0.84279 0.84279 0.84279 1.00000
Zn4 Zn 0.34279 0.34279 0.34279 1.00000
Rb1 Rb 0.40859 0.75000 0.09141 1.00000
Rb2 Rb 0.25000 0.90859 0.59141 1.00000
Rb3 Rb 0.90859 0.59141 0.25000 1.00000
Rb4 Rb 0.09141 0.40859 0.75000 1.00000
Rb5 Rb 0.75000 0.09141 0.40859 1.00000
Rb6 Rb 0.59141 0.25000 0.90859 1.00000
