Al2O3
Alexandria ALEXAlex-ID: agm005506050 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_668_spg2
Al2O3
2023-03-20 11:53:49.157835
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506050).
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 agm005506050
data_agm005506050
_cell_length_a 2.85681
_cell_length_b 4.96057
_cell_length_c 9.25479
_cell_angle_alpha 81.09677
_cell_angle_beta 89.94329
_cell_angle_gamma 89.98729
_cell_volume 129.57293
_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
Al1 Al 0.50066 0.91622 0.63944 1.00000
Al2 Al 0.99980 0.62555 0.18631 1.00000
Al3 Al 0.49934 0.08378 0.36056 1.00000
Al4 Al 0.00020 0.37445 0.81369 1.00000
O1 O 0.50007 0.60555 0.04971 1.00000
O2 O 0.49952 0.80045 0.25782 1.00000
O3 O 0.00049 0.71294 0.70986 1.00000
O4 O 0.50048 0.19955 0.74218 1.00000
O5 O 0.99951 0.28706 0.29014 1.00000
O6 O 0.49993 0.39445 0.95029 1.00000
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