Rb2MgH7
Alexandria ALEXAlex-ID: agm006201686 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_796_spg12
RbH7 Rb2MgH4 Rb4Mg3H10
2023-11-21 06:05:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201686).
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 agm006201686
data_agm006201686
_cell_length_a 5.98058
_cell_length_b 5.97625
_cell_length_c 9.21373
_cell_angle_alpha 108.83418
_cell_angle_beta 71.09659
_cell_angle_gamma 120.01067
_cell_volume 264.53489
_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 0.08484 0.70273 0.12229 1.00000
H2 H 0.86164 0.00696 0.87251 1.00000
H3 H 0.32176 0.46804 0.87205 1.00000
H4 H 0.08511 0.24489 0.12115 1.00000
H5 H 0.47260 0.85395 0.49738 1.00000
H6 H 0.62511 0.24372 0.12173 1.00000
H7 H 0.86205 0.46923 0.87146 1.00000
Mg1 Mg 0.97245 0.35581 0.99570 1.00000
Rb1 Rb 0.35574 0.97434 0.85025 1.00000
Rb2 Rb 0.59109 0.73772 0.14363 1.00000
获取直接链接