CeCo7B5
Alexandria ALEXAlex-ID: agm003679552 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C7_35_spg44
Ce(Co2B)6 CoB CeCo3B2
2022-04-10 05:52:30.011672
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679552).
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 agm003679552
data_agm003679552
_cell_length_a 4.69422
_cell_length_b 5.74621
_cell_length_c 5.74621
_cell_angle_alpha 89.81536
_cell_angle_beta 65.89173
_cell_angle_gamma 65.89173
_cell_volume 126.62327
_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 0.01493 0.98507 0.98507 1.00000
Co1 Co 0.67954 0.32046 0.32046 1.00000
Co2 Co 0.34168 0.65832 0.65832 1.00000
Co3 Co 0.93693 0.40462 0.72152 1.00000
Co4 Co 0.93693 0.72152 0.40462 1.00000
Co5 Co 0.25605 0.24395 0.24395 1.00000
Co6 Co 0.54878 0.73020 0.17224 1.00000
Co7 Co 0.54878 0.17224 0.73020 1.00000
B1 B 0.45027 0.01966 0.46695 1.00000
B2 B 0.06311 0.01966 0.46695 1.00000
B3 B 0.45027 0.46695 0.01966 1.00000
B4 B 0.06311 0.46695 0.01966 1.00000
B5 B 0.70962 0.79038 0.79038 1.00000
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