U4FeB14
Alexandria ALEXAlex-ID: agm008244708 · 空间群: P4/mnc (#128)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C14_2_spg128
U4FeB14
2024-11-14 02:14:01.196004
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008244708).
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 agm008244708
data_agm008244708
_cell_length_a 7.13233
_cell_length_b 7.13233
_cell_length_c 7.48615
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 380.82165
_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
U1 U 0.19658 0.32625 0.00000 1.00000
U2 U 0.67375 0.19658 0.00000 1.00000
U3 U 0.32625 0.80342 0.00000 1.00000
U4 U 0.69658 0.17375 0.50000 1.00000
U5 U 0.30342 0.82625 0.50000 1.00000
U6 U 0.80342 0.67375 0.00000 1.00000
U7 U 0.82625 0.69658 0.50000 1.00000
U8 U 0.17375 0.30342 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.50000 0.50000 0.50000 1.00000
B1 B 0.17613 0.03952 0.23157 1.00000
B2 B 0.96048 0.17613 0.23157 1.00000
B3 B 0.03952 0.82387 0.23157 1.00000
B4 B 0.67613 0.46048 0.26843 1.00000
B5 B 0.32387 0.53952 0.26843 1.00000
B6 B 0.82387 0.96048 0.23157 1.00000
B7 B 0.53952 0.67613 0.26843 1.00000
B8 B 0.46048 0.32387 0.26843 1.00000
B9 B 0.82387 0.96048 0.76843 1.00000
B10 B 0.03952 0.82387 0.76843 1.00000
B11 B 0.96048 0.17613 0.76843 1.00000
B12 B 0.32387 0.53952 0.73157 1.00000
B13 B 0.67613 0.46048 0.73157 1.00000
B14 B 0.17613 0.03952 0.76843 1.00000
B15 B 0.46048 0.32387 0.73157 1.00000
B16 B 0.53952 0.67613 0.73157 1.00000
B17 B 0.08876 0.58876 0.25000 1.00000
B18 B 0.41124 0.08876 0.25000 1.00000
B19 B 0.58876 0.91124 0.25000 1.00000
B20 B 0.91124 0.41124 0.25000 1.00000
B21 B 0.91124 0.41124 0.75000 1.00000
B22 B 0.58876 0.91124 0.75000 1.00000
B23 B 0.41124 0.08876 0.75000 1.00000
B24 B 0.08876 0.58876 0.75000 1.00000
B25 B 0.00000 0.00000 0.39188 1.00000
B26 B 0.50000 0.50000 0.10812 1.00000
B27 B 0.00000 0.00000 0.60812 1.00000
B28 B 0.50000 0.50000 0.89188 1.00000
