FeCuB
Alexandria ALEXAlex-ID: agm002137686 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_235_spg43
Cu FeB
2018-06-11 00:31:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002137686).
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 agm002137686
data_agm002137686
_cell_length_a 5.13437
_cell_length_b 5.13437
_cell_length_c 5.64004
_cell_angle_alpha 109.57308
_cell_angle_beta 109.57308
_cell_angle_gamma 105.30813
_cell_volume 119.55481
_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
B1 B 0.05409 0.93473 0.53906 1.00000
B2 B 0.68473 0.30409 0.03906 1.00000
B3 B 0.39565 0.51502 0.46090 1.00000
B4 B 0.26502 0.64565 0.96090 1.00000
Fe1 Fe 0.09387 0.64089 0.23500 1.00000
Fe2 Fe 0.39089 0.34387 0.73500 1.00000
Fe3 Fe 0.60886 0.65585 0.26497 1.00000
Fe4 Fe 0.40585 0.85886 0.76497 1.00000
Cu1 Cu 0.94748 0.11778 0.23954 1.00000
Cu2 Cu 0.45795 0.12822 0.26052 1.00000
Cu3 Cu 0.86778 0.19748 0.73954 1.00000
Cu4 Cu 0.87822 0.70795 0.76052 1.00000
获取直接链接