As(AuI3)2
Alexandria ALEXAlex-ID: agm005688968 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_850_spg15
AuI3 AuI AsI3
2023-07-06 11:50:29.586193
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688968).
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 agm005688968
data_agm005688968
_cell_length_a 7.37747
_cell_length_b 10.24199
_cell_length_c 10.24199
_cell_angle_alpha 78.30286
_cell_angle_beta 88.31139
_cell_angle_gamma 88.31138
_cell_volume 757.26532
_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
As1 As 0.25000 0.08202 0.91798 1.00000
As2 As 0.75000 0.91798 0.08202 1.00000
Au1 Au 0.24232 0.53072 0.67520 1.00000
Au2 Au 0.25768 0.32480 0.46928 1.00000
Au3 Au 0.75768 0.46928 0.32480 1.00000
Au4 Au 0.74232 0.67520 0.53072 1.00000
I1 I 0.37935 0.73249 0.50588 1.00000
I2 I 0.12065 0.49412 0.26751 1.00000
I3 I 0.62065 0.26751 0.49412 1.00000
I4 I 0.87935 0.50588 0.73249 1.00000
I5 I 0.88983 0.87614 0.35135 1.00000
I6 I 0.61017 0.64865 0.12386 1.00000
I7 I 0.11017 0.12386 0.64865 1.00000
I8 I 0.38983 0.35135 0.87614 1.00000
I9 I 0.07848 0.82499 0.96513 1.00000
I10 I 0.42152 0.03487 0.17501 1.00000
I11 I 0.92152 0.17501 0.03487 1.00000
I12 I 0.57848 0.96513 0.82499 1.00000
获取直接链接