Ac2IO7
Alexandria ALEXAlex-ID: agm005843390 · 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
AB2C7_300_spg15
Ac3IO8 AcO3 AcIO5
2023-07-26 14:50:29.862892
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005843390).
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 agm005843390
data_agm005843390
_cell_length_a 6.51206
_cell_length_b 7.14965
_cell_length_c 7.88734
_cell_angle_alpha 83.37858
_cell_angle_beta 65.61804
_cell_angle_gamma 62.90858
_cell_volume 296.57734
_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 0.55670 0.93045 0.72897 1.00000
Ac2 Ac 0.78388 0.43045 0.22897 1.00000
Ac3 Ac 0.21612 0.56955 0.77103 1.00000
Ac4 Ac 0.44330 0.06955 0.27103 1.00000
I1 I 0.94746 0.25000 0.75000 1.00000
I2 I 0.05254 0.75000 0.25000 1.00000
O1 O 0.80318 0.54381 0.80531 1.00000
O2 O 0.84770 0.04381 0.30531 1.00000
O3 O 0.26215 0.77842 0.99615 1.00000
O4 O 0.30976 0.24580 0.57697 1.00000
O5 O 0.64203 0.25000 0.75000 1.00000
O6 O 0.96328 0.27842 0.49615 1.00000
O7 O 0.13253 0.25420 0.92303 1.00000
O8 O 0.86747 0.74580 0.07697 1.00000
O9 O 0.03672 0.72158 0.50385 1.00000
O10 O 0.35797 0.75000 0.25000 1.00000
O11 O 0.69024 0.75420 0.42303 1.00000
O12 O 0.73785 0.22158 0.00385 1.00000
O13 O 0.15230 0.95619 0.69469 1.00000
O14 O 0.19682 0.45619 0.19469 1.00000
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