Y5Bi3
Alexandria ALEXAlex-ID: agm005254591 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_1598_spg62
Y5Bi3
2024-10-08 15:46:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005254591).
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 agm005254591
data_agm005254591
_cell_length_a 12.10483
_cell_length_b 9.52323
_cell_length_c 8.30971
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 957.91961
_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
Y1 Y 0.56504 0.06085 0.31077 1.00000
Y2 Y 0.06504 0.43915 0.18923 1.00000
Y3 Y 0.43496 0.56085 0.68923 1.00000
Y4 Y 0.93496 0.93915 0.81077 1.00000
Y5 Y 0.43496 0.93915 0.68923 1.00000
Y6 Y 0.93496 0.56085 0.81077 1.00000
Y7 Y 0.56504 0.43915 0.31077 1.00000
Y8 Y 0.06504 0.06085 0.18923 1.00000
Y9 Y 0.72690 0.25000 0.67156 1.00000
Y10 Y 0.22690 0.25000 0.82844 1.00000
Y11 Y 0.27310 0.75000 0.32844 1.00000
Y12 Y 0.77310 0.75000 0.17156 1.00000
Y13 Y 0.50430 0.25000 0.97796 1.00000
Y14 Y 0.00430 0.25000 0.52204 1.00000
Y15 Y 0.49570 0.75000 0.02204 1.00000
Y16 Y 0.99570 0.75000 0.47796 1.00000
Y17 Y 0.79016 0.25000 0.15953 1.00000
Y18 Y 0.29016 0.25000 0.34047 1.00000
Y19 Y 0.20984 0.75000 0.84047 1.00000
Y20 Y 0.70984 0.75000 0.65953 1.00000
Bi1 Bi 0.97245 0.25000 0.90115 1.00000
Bi2 Bi 0.47245 0.25000 0.59885 1.00000
Bi3 Bi 0.02755 0.75000 0.09885 1.00000
Bi4 Bi 0.52755 0.75000 0.40115 1.00000
Bi5 Bi 0.82551 0.00777 0.43666 1.00000
Bi6 Bi 0.32551 0.49223 0.06334 1.00000
Bi7 Bi 0.17449 0.50777 0.56334 1.00000
Bi8 Bi 0.67449 0.99223 0.93666 1.00000
Bi9 Bi 0.17449 0.99223 0.56334 1.00000
Bi10 Bi 0.67449 0.50777 0.93666 1.00000
Bi11 Bi 0.82551 0.49223 0.43666 1.00000
Bi12 Bi 0.32551 0.00777 0.06334 1.00000
