Ce2Fe3CoB12
Alexandria ALEXAlex-ID: agm004499693 · 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
AB2C3D12_111_spg166
Ce2CoB10 Ce(FeB3)2 Ce(CoB)4 CoB
2022-06-18 21:02:42.622426
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004499693).
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 agm004499693
data_agm004499693
_cell_length_a 8.01146
_cell_length_b 8.01146
_cell_length_c 8.01146
_cell_angle_alpha 39.54012
_cell_angle_beta 39.54012
_cell_angle_gamma 39.54012
_cell_volume 187.60711
_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 0.63994 0.63994 0.63994 1.00000
Ce2 Ce 0.36006 0.36006 0.36006 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
Fe2 Fe 0.00000 0.50000 0.00000 1.00000
Fe3 Fe 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
B1 B 0.34570 0.34570 0.02830 1.00000
B2 B 0.94885 0.94885 0.32129 1.00000
B3 B 0.32129 0.94885 0.94885 1.00000
B4 B 0.02830 0.34570 0.34570 1.00000
B5 B 0.94885 0.32129 0.94885 1.00000
B6 B 0.34570 0.02830 0.34570 1.00000
B7 B 0.65430 0.65430 0.97170 1.00000
B8 B 0.05115 0.05115 0.67871 1.00000
B9 B 0.67871 0.05115 0.05115 1.00000
B10 B 0.97170 0.65430 0.65430 1.00000
B11 B 0.05115 0.67871 0.05115 1.00000
B12 B 0.65430 0.97170 0.65430 1.00000
获取直接链接