BiSeN
Alexandria ALEXAlex-ID: agm005609055 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_6243_spg2
Bi2Se3N2 BiN
2023-06-19 11:43:04.921120
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609055).
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 agm005609055
data_agm005609055
_cell_length_a 3.82375
_cell_length_b 4.73687
_cell_length_c 12.61422
_cell_angle_alpha 71.45721
_cell_angle_beta 88.84868
_cell_angle_gamma 89.99357
_cell_volume 216.56658
_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
Bi1 Bi 0.74153 0.14134 0.12813 1.00000
Bi2 Bi 0.25847 0.85866 0.87187 1.00000
Se1 Se 0.75725 0.34422 0.88925 1.00000
Se2 Se 0.24275 0.65578 0.11075 1.00000
N1 N 0.55924 0.93912 0.47297 1.00000
N2 N 0.44076 0.06088 0.52703 1.00000
获取直接链接