RbAs4H7
Alexandria ALEXAlex-ID: agm007338002 · 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
AB4C7_684_spg1
Rb3As7 AsH9 AsH
2024-02-09 12:01:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007338002).
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 agm007338002
data_agm007338002
_cell_length_a 6.29359
_cell_length_b 6.25447
_cell_length_c 7.02165
_cell_angle_alpha 96.28943
_cell_angle_beta 113.07947
_cell_angle_gamma 114.22276
_cell_volume 219.51218
_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 0.94537 0.88898 0.97718 1.00000
As1 As 0.79497 0.66075 0.40571 1.00000
As2 As 0.20054 0.28226 0.52310 1.00000
As3 As 0.52382 0.17194 0.75917 1.00000
As4 As 0.35108 0.58814 0.16000 1.00000
H1 H 0.63960 0.37570 0.97649 1.00000
H2 H 0.32105 0.75319 0.31816 1.00000
H3 H 0.42709 0.79573 0.05461 1.00000
H4 H 0.73124 0.34543 0.70132 1.00000
H5 H 0.69145 0.37920 0.32303 1.00000
H6 H 0.02885 0.20206 0.63713 1.00000
H7 H 0.34493 0.55662 0.66411 1.00000
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