Sm2Ga2Co5
Alexandria ALEXAlex-ID: agm005226239 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_78_spg166
Sm3(GaCo)4 Sm2Co17 SmGaCo
2023-05-07 13:37:14.891070
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226239).
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 agm005226239
data_agm005226239
_cell_length_a 12.05521
_cell_length_b 12.05521
_cell_length_c 12.05521
_cell_angle_alpha 25.05598
_cell_angle_beta 25.05598
_cell_angle_gamma 25.05598
_cell_volume 276.45922
_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
Sm1 Sm 0.04879 0.04879 0.04879 1.00000
Sm2 Sm 0.95121 0.95121 0.95121 1.00000
Sm3 Sm 0.14726 0.14726 0.14726 1.00000
Sm4 Sm 0.85274 0.85274 0.85274 1.00000
Ga1 Ga 0.27803 0.27803 0.27803 1.00000
Ga2 Ga 0.72197 0.72197 0.72197 1.00000
Ga3 Ga 0.38818 0.38818 0.38818 1.00000
Ga4 Ga 0.61182 0.61182 0.61182 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.00000 0.50000 0.50000 1.00000
Co3 Co 0.50000 0.50000 0.00000 1.00000
Co4 Co 0.50000 0.00000 0.50000 1.00000
Co5 Co 0.60955 0.11287 0.60955 1.00000
Co6 Co 0.11287 0.60955 0.60955 1.00000
Co7 Co 0.60955 0.60955 0.11287 1.00000
Co8 Co 0.39045 0.88713 0.39045 1.00000
Co9 Co 0.88713 0.39045 0.39045 1.00000
Co10 Co 0.39045 0.39045 0.88713 1.00000
获取直接链接