I2O
Alexandria ALEXAlex-ID: agm002176552 · 空间群: Pna2_1 (#33)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_332_spg33
I2O5 I
2018-06-17 00:14:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002176552).
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 agm002176552
data_agm002176552
_cell_length_a 4.48713
_cell_length_b 7.18149
_cell_length_c 11.29071
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 363.83455
_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
I1 I 0.63567 0.31983 0.50815 1.00000
I2 I 0.36433 0.81983 0.49185 1.00000
I3 I 0.86433 0.31983 0.00815 1.00000
I4 I 0.13567 0.81983 0.99185 1.00000
I5 I 0.03104 0.49399 0.23469 1.00000
I6 I 0.96896 0.99399 0.76531 1.00000
I7 I 0.46896 0.49399 0.73469 1.00000
I8 I 0.53104 0.99399 0.26531 1.00000
O1 O 0.27476 0.70808 0.16131 1.00000
O2 O 0.72524 0.20808 0.83869 1.00000
O3 O 0.22524 0.70808 0.66131 1.00000
O4 O 0.77476 0.20808 0.33869 1.00000
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