LaFeB14
Alexandria ALEXAlex-ID: agm005755697 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
LaB6 FeB2 B
2023-07-18 13:58:56.662811
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755697).
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 agm005755697
data_agm005755697
_cell_length_a 5.84645
_cell_length_b 7.42587
_cell_length_c 7.42587
_cell_angle_alpha 68.69383
_cell_angle_beta 66.81795
_cell_angle_gamma 66.81795
_cell_volume 264.02091
_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
La1 La 0.25000 0.38027 0.11973 1.00000
La2 La 0.75000 0.61973 0.88027 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66558 0.36791 0.30092 1.00000
B2 B 0.33442 0.63209 0.69908 1.00000
B3 B 0.16558 0.80092 0.86791 1.00000
B4 B 0.83442 0.19908 0.13209 1.00000
B5 B 0.13176 0.23233 0.50415 1.00000
B6 B 0.86824 0.76767 0.49585 1.00000
B7 B 0.63176 0.00415 0.73233 1.00000
B8 B 0.36824 0.99585 0.26767 1.00000
B9 B 0.08664 0.07946 0.74726 1.00000
B10 B 0.91336 0.92054 0.25274 1.00000
B11 B 0.58664 0.24726 0.57946 1.00000
B12 B 0.41336 0.75274 0.42054 1.00000
B13 B 0.71872 0.60226 0.28290 1.00000
B14 B 0.60388 0.39774 0.71710 1.00000
B15 B 0.21872 0.78290 0.10226 1.00000
B16 B 0.10388 0.21710 0.89774 1.00000
B17 B 0.28128 0.39774 0.71710 1.00000
B18 B 0.39612 0.60226 0.28290 1.00000
B19 B 0.78128 0.21710 0.89774 1.00000
B20 B 0.89612 0.78290 0.10226 1.00000
B21 B 0.32697 0.97034 0.87362 1.00000
B22 B 0.17093 0.02966 0.12638 1.00000
B23 B 0.82697 0.37362 0.47034 1.00000
B24 B 0.67093 0.62638 0.52966 1.00000
B25 B 0.67303 0.02966 0.12638 1.00000
B26 B 0.82907 0.97034 0.87362 1.00000
B27 B 0.17303 0.62638 0.52966 1.00000
B28 B 0.32907 0.37362 0.47034 1.00000
