Rb2LiH7
Alexandria ALEXAlex-ID: agm006201621 · 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
AB2C7_757_spg1
RbH7 LiH RbH
2023-11-21 06:11:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201621).
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 agm006201621
data_agm006201621
_cell_length_a 6.31869
_cell_length_b 5.45356
_cell_length_c 7.62436
_cell_angle_alpha 117.48643
_cell_angle_beta 66.79595
_cell_angle_gamma 134.70666
_cell_volume 164.64503
_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 0.01575 0.62134 0.29387 1.00000
H2 H 0.87466 0.99639 0.83584 1.00000
H3 H 0.28986 0.60204 0.03775 1.00000
H4 H 0.93755 0.67405 0.39185 1.00000
H5 H 0.33611 0.52089 0.58419 1.00000
H6 H 0.81660 0.97409 0.75375 1.00000
H7 H 0.93958 0.67032 0.90694 1.00000
Rb1 Rb 0.48759 0.19099 0.65193 1.00000
Rb2 Rb 0.39993 0.30126 0.17497 1.00000
Li1 Li 0.13475 0.50601 0.83707 1.00000
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