B2SbH7
Alexandria ALEXAlex-ID: agm006197878 · 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_524_spg12
B2H5 SbH3 Sb
2023-10-18 00:21:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197878).
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 agm006197878
data_agm006197878
_cell_length_a 6.32091
_cell_length_b 6.32129
_cell_length_c 4.49353
_cell_angle_alpha 135.06051
_cell_angle_beta 44.93908
_cell_angle_gamma 120.25825
_cell_volume 89.58065
_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 0.16140 0.82728 0.08833 1.00000
H2 H 0.78497 0.88429 0.90557 1.00000
H3 H 0.44470 0.54393 0.90546 1.00000
H4 H 0.16238 0.16660 0.08884 1.00000
H5 H 0.47321 0.85567 0.49681 1.00000
H6 H 0.50181 0.16750 0.08809 1.00000
H7 H 0.78418 0.54482 0.90461 1.00000
B1 B 0.29209 0.03691 0.03779 1.00000
B2 B 0.65439 0.67457 0.95583 1.00000
Sb1 Sb 0.97327 0.35582 0.99682 1.00000
获取直接链接