BiP
Alexandria ALEXAlex-ID: agm071088549 · 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
AB_11404_spg212
P Bi
2024-08-18 07:02:20.810359
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071088549).
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 agm071088549
data_agm071088549
_cell_length_a 13.85439
_cell_length_b 13.85439
_cell_length_c 13.85439
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2659.26639
_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 0.93130 0.49446 0.87232 1.00000
Bi2 Bi 0.56870 0.50554 0.37232 1.00000
Bi3 Bi 0.06870 0.99446 0.62768 1.00000
Bi4 Bi 0.43130 0.00554 0.12768 1.00000
Bi5 Bi 0.87232 0.93130 0.49446 1.00000
Bi6 Bi 0.37232 0.56870 0.50554 1.00000
Bi7 Bi 0.62768 0.06870 0.99446 1.00000
Bi8 Bi 0.12768 0.43130 0.00554 1.00000
Bi9 Bi 0.49446 0.87232 0.93130 1.00000
Bi10 Bi 0.50554 0.37232 0.56870 1.00000
Bi11 Bi 0.99446 0.62768 0.06870 1.00000
Bi12 Bi 0.00554 0.12768 0.43130 1.00000
Bi13 Bi 0.74446 0.68130 0.87768 1.00000
Bi14 Bi 0.75554 0.31870 0.37768 1.00000
Bi15 Bi 0.24446 0.81870 0.12232 1.00000
Bi16 Bi 0.25554 0.18130 0.62232 1.00000
Bi17 Bi 0.18130 0.62232 0.25554 1.00000
Bi18 Bi 0.81870 0.12232 0.24446 1.00000
Bi19 Bi 0.31870 0.37768 0.75554 1.00000
Bi20 Bi 0.68130 0.87768 0.74446 1.00000
Bi21 Bi 0.12232 0.24446 0.81870 1.00000
Bi22 Bi 0.62232 0.25554 0.18130 1.00000
Bi23 Bi 0.87768 0.74446 0.68130 1.00000
Bi24 Bi 0.37768 0.75554 0.31870 1.00000
P1 P 0.56729 0.08287 0.24695 1.00000
P2 P 0.93271 0.91713 0.74695 1.00000
P3 P 0.43271 0.58287 0.25305 1.00000
P4 P 0.06729 0.41713 0.75305 1.00000
P5 P 0.24695 0.56729 0.08287 1.00000
P6 P 0.74695 0.93271 0.91713 1.00000
P7 P 0.25305 0.43271 0.58287 1.00000
P8 P 0.75305 0.06729 0.41713 1.00000
P9 P 0.08287 0.24695 0.56729 1.00000
P10 P 0.91713 0.74695 0.93271 1.00000
P11 P 0.58287 0.25305 0.43271 1.00000
P12 P 0.41713 0.75305 0.06729 1.00000
P13 P 0.33287 0.31729 0.50305 1.00000
P14 P 0.16713 0.68271 0.00305 1.00000
P15 P 0.83287 0.18271 0.49695 1.00000
P16 P 0.66713 0.81729 0.99695 1.00000
P17 P 0.81729 0.99695 0.66713 1.00000
P18 P 0.18271 0.49695 0.83287 1.00000
P19 P 0.68271 0.00305 0.16713 1.00000
P20 P 0.31729 0.50305 0.33287 1.00000
P21 P 0.49695 0.83287 0.18271 1.00000
P22 P 0.99695 0.66713 0.81729 1.00000
P23 P 0.50305 0.33287 0.31729 1.00000
P24 P 0.00305 0.16713 0.68271 1.00000
