P2O5
Alexandria ALEXAlex-ID: agm005263355 · 空间群: R3c (#161)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5_468_spg161
P2O5
2023-05-12 02:57:56.987157
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005263355).
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 agm005263355
data_agm005263355
_cell_length_a 8.31443
_cell_length_b 8.31443
_cell_length_c 8.31443
_cell_angle_alpha 62.44697
_cell_angle_beta 62.44697
_cell_angle_gamma 62.44697
_cell_volume 428.59848
_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
P1 P 0.21434 0.30651 0.96271 1.00000
P2 P 0.96271 0.21434 0.30651 1.00000
P3 P 0.30651 0.96271 0.21434 1.00000
P4 P 0.95580 0.95580 0.95580 1.00000
P5 P 0.71434 0.46271 0.80651 1.00000
P6 P 0.80651 0.71434 0.46271 1.00000
P7 P 0.45580 0.45580 0.45580 1.00000
P8 P 0.46271 0.80651 0.71434 1.00000
O1 O 0.37787 0.74911 0.16870 1.00000
O2 O 0.21815 0.21815 0.21815 1.00000
O3 O 0.59944 0.33032 0.30112 1.00000
O4 O 0.87787 0.66870 0.24911 1.00000
O5 O 0.24911 0.87787 0.66870 1.00000
O6 O 0.83032 0.09944 0.80112 1.00000
O7 O 0.82554 0.48289 0.57550 1.00000
O8 O 0.66870 0.24911 0.87787 1.00000
O9 O 0.71815 0.71815 0.71815 1.00000
O10 O 0.32554 0.07550 0.98289 1.00000
O11 O 0.30112 0.59944 0.33032 1.00000
O12 O 0.80112 0.83032 0.09944 1.00000
O13 O 0.48289 0.57550 0.82554 1.00000
O14 O 0.74911 0.16870 0.37787 1.00000
O15 O 0.16870 0.37787 0.74911 1.00000
O16 O 0.09944 0.80112 0.83032 1.00000
O17 O 0.07550 0.98289 0.32554 1.00000
O18 O 0.98289 0.32554 0.07550 1.00000
O19 O 0.57550 0.82554 0.48289 1.00000
O20 O 0.33032 0.30112 0.59944 1.00000
