P3Os2
Alexandria ALEXAlex-ID: agm005505901 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_561_spg43
P2Os Os
2023-03-20 12:24:34.091210
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505901).
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 agm005505901
data_agm005505901
_cell_length_a 8.42563
_cell_length_b 6.73244
_cell_length_c 5.85612
_cell_angle_alpha 83.71763
_cell_angle_beta 52.58395
_cell_angle_gamma 43.69841
_cell_volume 145.66431
_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 0.19119 0.19518 0.04610 1.00000
P2 P 0.56753 0.04610 0.19518 1.00000
P3 P 0.20390 0.68247 0.05881 1.00000
P4 P 0.05482 0.05881 0.68247 1.00000
P5 P 0.94110 0.55890 0.55890 1.00000
P6 P 0.69110 0.30890 0.30890 1.00000
Os1 Os 0.80601 0.02260 0.67721 1.00000
Os2 Os 0.49418 0.67721 0.02260 1.00000
Os3 Os 0.57279 0.75582 0.44399 1.00000
Os4 Os 0.22740 0.44399 0.75582 1.00000
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