BI3
Alexandria ALEXAlex-ID: agm071274792 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_5142_spg212
BI3
2024-08-15 04:34:12.027515
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071274792).
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 agm071274792
data_agm071274792
_cell_length_a 13.82959
_cell_length_b 13.82959
_cell_length_c 13.82959
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2645.01191
_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
B1 B 0.72443 0.72443 0.72443 1.00000
B2 B 0.77557 0.27557 0.22443 1.00000
B3 B 0.27557 0.22443 0.77557 1.00000
B4 B 0.22443 0.77557 0.27557 1.00000
B5 B 0.97443 0.47443 0.02557 1.00000
B6 B 0.52557 0.52557 0.52557 1.00000
B7 B 0.47443 0.02557 0.97443 1.00000
B8 B 0.02557 0.97443 0.47443 1.00000
I1 I 0.07696 0.90081 0.59934 1.00000
I2 I 0.42304 0.09919 0.09934 1.00000
I3 I 0.92304 0.40081 0.90066 1.00000
I4 I 0.57696 0.59919 0.40066 1.00000
I5 I 0.59934 0.07696 0.90081 1.00000
I6 I 0.09934 0.42304 0.09919 1.00000
I7 I 0.90066 0.92304 0.40081 1.00000
I8 I 0.40066 0.57696 0.59919 1.00000
I9 I 0.90081 0.59934 0.07696 1.00000
I10 I 0.09919 0.09934 0.42304 1.00000
I11 I 0.40081 0.90066 0.92304 1.00000
I12 I 0.59919 0.40066 0.57696 1.00000
I13 I 0.15081 0.82696 0.15066 1.00000
I14 I 0.34919 0.17304 0.65066 1.00000
I15 I 0.65081 0.67304 0.84934 1.00000
I16 I 0.84919 0.32696 0.34934 1.00000
I17 I 0.32696 0.34934 0.84919 1.00000
I18 I 0.67304 0.84934 0.65081 1.00000
I19 I 0.17304 0.65066 0.34919 1.00000
I20 I 0.82696 0.15066 0.15081 1.00000
I21 I 0.84934 0.65081 0.67304 1.00000
I22 I 0.34934 0.84919 0.32696 1.00000
I23 I 0.15066 0.15081 0.82696 1.00000
I24 I 0.65066 0.34919 0.17304 1.00000
