Ce5(CoOs)2
Alexandria ALEXAlex-ID: agm009983009 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_516_spg64
Ce4Os3 Ce7Os3 CeCo
2024-03-24 20:01:31.753898
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009983009).
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 agm009983009
data_agm009983009
_cell_length_a 8.11302
_cell_length_b 8.11302
_cell_length_c 7.20317
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 126.23866
_cell_volume 382.40784
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ce2 Ce 0.50000 0.50000 0.00000 1.00000
Ce3 Ce 0.82045 0.54711 0.67615 1.00000
Ce4 Ce 0.45289 0.17955 0.32385 1.00000
Ce5 Ce 0.95289 0.67955 0.17615 1.00000
Ce6 Ce 0.32045 0.04711 0.82385 1.00000
Ce7 Ce 0.17955 0.45289 0.32385 1.00000
Ce8 Ce 0.54711 0.82045 0.67615 1.00000
Ce9 Ce 0.04711 0.32045 0.82385 1.00000
Ce10 Ce 0.67955 0.95289 0.17615 1.00000
Co1 Co 0.87864 0.87864 0.87368 1.00000
Co2 Co 0.12136 0.12136 0.12632 1.00000
Co3 Co 0.62136 0.62136 0.37368 1.00000
Co4 Co 0.37864 0.37864 0.62632 1.00000
Os1 Os 0.20845 0.79155 0.50000 1.00000
Os2 Os 0.70845 0.29155 0.00000 1.00000
Os3 Os 0.79155 0.20845 0.50000 1.00000
Os4 Os 0.29155 0.70845 0.00000 1.00000
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