Ac2POs6
Alexandria ALEXAlex-ID: agm017687391 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_322_spg12
AcP Os Ac3Os
2024-10-15 13:29:44.122109
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017687391).
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 agm017687391
data_agm017687391
_cell_length_a 6.18692
_cell_length_b 6.18692
_cell_length_c 6.18692
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 167.45880
_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 0.25000 0.25000 0.25000 1.00000
Ac2 Ac 0.75000 0.75000 0.75000 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.72338 0.72338 0.27662 1.00000
Os2 Os 0.72338 0.27662 0.27662 1.00000
Os3 Os 0.27662 0.72338 0.72338 1.00000
Os4 Os 0.27662 0.27662 0.72338 1.00000
Os5 Os 0.72338 0.27662 0.72338 1.00000
Os6 Os 0.27662 0.72338 0.27662 1.00000
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