As2O5
Alexandria ALEXAlex-ID: agm013202286 · 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
A2B5_689_spg15
As2O5
2024-12-04 04:11:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013202286).
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
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# CIF generated by HEAS from Alexandria entry agm013202286
data_agm013202286
_cell_length_a 5.32326
_cell_length_b 5.32326
_cell_length_c 6.77081
_cell_angle_alpha 76.08337
_cell_angle_beta 103.91663
_cell_angle_gamma 74.60444
_cell_volume 169.78900
_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
As1 As 0.00000 0.00000 0.50000 1.00000
As2 As 0.00000 0.00000 0.00000 1.00000
As3 As 0.31328 0.31328 0.25000 1.00000
As4 As 0.68672 0.68672 0.75000 1.00000
O1 O 0.07415 0.31948 0.38403 1.00000
O2 O 0.23179 0.62993 0.06097 1.00000
O3 O 0.91923 0.91923 0.25000 1.00000
O4 O 0.31948 0.07415 0.11597 1.00000
O5 O 0.68052 0.92585 0.88403 1.00000
O6 O 0.62993 0.23179 0.43903 1.00000
O7 O 0.37007 0.76821 0.56097 1.00000
O8 O 0.08077 0.08077 0.75000 1.00000
O9 O 0.76821 0.37007 0.93903 1.00000
O10 O 0.92585 0.68052 0.61597 1.00000
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