RbSb2H7
Alexandria ALEXAlex-ID: agm006201672 · 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_1438_spg1
RbH7 SbH3 RbSb
2023-12-02 11:52:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201672).
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 agm006201672
data_agm006201672
_cell_length_a 4.73919
_cell_length_b 6.70457
_cell_length_c 11.38757
_cell_angle_alpha 120.09302
_cell_angle_beta 43.26052
_cell_angle_gamma 133.74897
_cell_volume 179.12507
_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 0.51024 0.95437 0.42863 1.00000
H2 H 0.71065 0.98383 0.76819 1.00000
H3 H 0.65127 0.50941 0.58498 1.00000
H4 H 0.02036 0.95417 0.11950 1.00000
H5 H 0.02213 0.63272 0.75522 1.00000
H6 H 0.73144 0.26160 0.27306 1.00000
H7 H 0.68796 0.41169 0.58035 1.00000
Rb1 Rb 0.99842 0.45720 0.96856 1.00000
Sb1 Sb 0.48305 0.98389 0.69707 1.00000
Sb2 Sb 0.41687 0.90850 0.29261 1.00000
获取直接链接