Ag(IO3)2
Alexandria ALEXAlex-ID: agm005653657 · 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_2995_spg15
AgIO3 AgI3O8 AgO5
2023-07-09 02:22:47.203633
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653657).
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 agm005653657
data_agm005653657
_cell_length_a 7.65384
_cell_length_b 7.65385
_cell_length_c 7.66463
_cell_angle_alpha 111.83997
_cell_angle_beta 109.13991
_cell_angle_gamma 107.40496
_cell_volume 345.37038
_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 0.34928 0.09928 0.25000 1.00000
Ag2 Ag 0.65072 0.90072 0.75000 1.00000
I1 I 0.47368 0.28290 0.77477 1.00000
I2 I 0.00813 0.69891 0.72523 1.00000
I3 I 0.52632 0.71710 0.22523 1.00000
I4 I 0.99187 0.30109 0.27477 1.00000
O1 O 0.61450 0.18195 0.92805 1.00000
O2 O 0.75389 0.68645 0.57195 1.00000
O3 O 0.38550 0.81805 0.07195 1.00000
O4 O 0.24611 0.31355 0.42805 1.00000
O5 O 0.57326 0.22733 0.58008 1.00000
O6 O 0.14724 0.99318 0.91992 1.00000
O7 O 0.42674 0.77267 0.41992 1.00000
O8 O 0.85276 0.00682 0.08008 1.00000
O9 O 0.65664 0.56920 0.94890 1.00000
O10 O 0.12030 0.70775 0.55110 1.00000
O11 O 0.34336 0.43080 0.05110 1.00000
O12 O 0.87970 0.29225 0.44890 1.00000
获取直接链接