CeBeCo
Alexandria ALEXAlex-ID: agm005698706 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7273_spg14
Be2Co Ce CeCo
2023-06-16 22:22:29.346252
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698706).
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 agm005698706
data_agm005698706
_cell_length_a 5.52804
_cell_length_b 5.79603
_cell_length_c 6.24940
_cell_angle_alpha 90.00000
_cell_angle_beta 97.98206
_cell_angle_gamma 90.00000
_cell_volume 198.29472
_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 0.28994 0.86452 0.09181 1.00000
Ce2 Ce 0.78994 0.63548 0.59181 1.00000
Ce3 Ce 0.71006 0.13548 0.90819 1.00000
Ce4 Ce 0.21006 0.36452 0.40819 1.00000
Be1 Be 0.21683 0.36080 0.88716 1.00000
Be2 Be 0.78317 0.63920 0.11284 1.00000
Be3 Be 0.28317 0.86080 0.61284 1.00000
Be4 Be 0.71683 0.13920 0.38716 1.00000
Co1 Co 0.50065 0.38025 0.17578 1.00000
Co2 Co 0.49935 0.61975 0.82422 1.00000
Co3 Co 0.00065 0.11975 0.67578 1.00000
Co4 Co 0.99935 0.88025 0.32422 1.00000
获取直接链接