CeGe3Os
Alexandria ALEXAlex-ID: agm017452780 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_175_spg62
CeGe3Os
2024-12-03 04:57:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017452780).
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 agm017452780
data_agm017452780
_cell_length_a 4.26405
_cell_length_b 8.33216
_cell_length_c 10.80666
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 383.94661
_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 0.75000 0.80156 0.03058 1.00000
Ce2 Ce 0.25000 0.69844 0.53058 1.00000
Ce3 Ce 0.75000 0.30156 0.46942 1.00000
Ce4 Ce 0.25000 0.19844 0.96942 1.00000
Ge1 Ge 0.25000 0.56235 0.08007 1.00000
Ge2 Ge 0.75000 0.43765 0.91993 1.00000
Ge3 Ge 0.25000 0.06235 0.41993 1.00000
Ge4 Ge 0.75000 0.93765 0.58007 1.00000
Ge5 Ge 0.25000 0.37727 0.66808 1.00000
Ge6 Ge 0.75000 0.12273 0.16808 1.00000
Ge7 Ge 0.25000 0.87727 0.83192 1.00000
Ge8 Ge 0.75000 0.62538 0.71255 1.00000
Ge9 Ge 0.25000 0.37462 0.28745 1.00000
Ge10 Ge 0.75000 0.12538 0.78745 1.00000
Ge11 Ge 0.75000 0.62273 0.33192 1.00000
Ge12 Ge 0.25000 0.87462 0.21255 1.00000
Os1 Os 0.25000 0.07970 0.65879 1.00000
Os2 Os 0.25000 0.57970 0.84121 1.00000
Os3 Os 0.75000 0.42030 0.15879 1.00000
Os4 Os 0.75000 0.92030 0.34121 1.00000
