Ag2IOF
Alexandria ALEXAlex-ID: agm005506969 · 空间群: Pmn2_1 (#31)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_2074_spg31
AgIF6 AgIO3 Ag2F AgI
2023-03-20 13:59:30.676301
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506969).
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 agm005506969
data_agm005506969
_cell_length_a 10.48752
_cell_length_b 4.65673
_cell_length_c 3.94696
_cell_angle_alpha 90.02724
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 192.75991
_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
Ag1 Ag 0.92112 0.91400 0.24796 1.00000
Ag2 Ag 0.42112 0.08600 0.75204 1.00000
Ag3 Ag 0.65303 0.64546 0.24811 1.00000
Ag4 Ag 0.15303 0.35454 0.75189 1.00000
I1 I 0.26864 0.76465 0.25178 1.00000
I2 I 0.76864 0.23535 0.74822 1.00000
O1 O 0.13086 0.06926 0.25171 1.00000
O2 O 0.63086 0.93074 0.74829 1.00000
F1 F 0.44122 0.41486 0.25168 1.00000
F2 F 0.94122 0.58514 0.74832 1.00000
获取直接链接