Ac4Bi2I3
Alexandria ALEXAlex-ID: agm005694493 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_352_spg164
Ac6Bi5I Ac2BiI2 Ac
2023-06-27 04:37:20.354699
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694493).
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 agm005694493
data_agm005694493
_cell_length_a 4.85936
_cell_length_b 4.85936
_cell_length_c 19.41251
_cell_angle_alpha 90.04611
_cell_angle_beta 89.95387
_cell_angle_gamma 119.99459
_cell_volume 397.00278
_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
Ac1 Ac 0.33353 0.66647 0.89713 1.00000
Ac2 Ac 0.99945 0.00055 0.29277 1.00000
Ac3 Ac 0.00055 0.99945 0.70723 1.00000
Ac4 Ac 0.66647 0.33353 0.10287 1.00000
Bi1 Bi 0.66705 0.33295 0.80174 1.00000
Bi2 Bi 0.33295 0.66705 0.19826 1.00000
I1 I 0.66593 0.33407 0.39646 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.33407 0.66593 0.60354 1.00000
