MgFeB14
Alexandria ALEXAlex-ID: agm005754637 · 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
FeB2 MgB7 B
2023-07-18 13:58:25.423024
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754637).
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 agm005754637
data_agm005754637
_cell_length_a 5.86777
_cell_length_b 7.14128
_cell_length_c 7.14128
_cell_angle_alpha 69.50889
_cell_angle_beta 65.74276
_cell_angle_gamma 65.74276
_cell_volume 242.74904
_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
Mg1 Mg 0.25000 0.40579 0.09421 1.00000
Mg2 Mg 0.75000 0.59421 0.90579 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66660 0.36890 0.29790 1.00000
B2 B 0.33340 0.63110 0.70210 1.00000
B3 B 0.16660 0.79790 0.86890 1.00000
B4 B 0.83340 0.20210 0.13110 1.00000
B5 B 0.15438 0.23240 0.45883 1.00000
B6 B 0.84562 0.76760 0.54117 1.00000
B7 B 0.65438 0.95883 0.73240 1.00000
B8 B 0.34562 0.04117 0.26760 1.00000
B9 B 0.09274 0.07847 0.73605 1.00000
B10 B 0.90726 0.92153 0.26395 1.00000
B11 B 0.59274 0.23605 0.57847 1.00000
B12 B 0.40726 0.76395 0.42153 1.00000
B13 B 0.71991 0.60327 0.27530 1.00000
B14 B 0.59848 0.39673 0.72470 1.00000
B15 B 0.21991 0.77530 0.10327 1.00000
B16 B 0.09848 0.22470 0.89673 1.00000
B17 B 0.28009 0.39673 0.72470 1.00000
B18 B 0.40152 0.60327 0.27530 1.00000
B19 B 0.78009 0.22470 0.89673 1.00000
B20 B 0.90152 0.77530 0.10327 1.00000
B21 B 0.33034 0.96269 0.87045 1.00000
B22 B 0.16348 0.03731 0.12955 1.00000
B23 B 0.83034 0.37045 0.46269 1.00000
B24 B 0.66348 0.62955 0.53731 1.00000
B25 B 0.66966 0.03731 0.12955 1.00000
B26 B 0.83652 0.96269 0.87045 1.00000
B27 B 0.16966 0.62955 0.53731 1.00000
B28 B 0.33652 0.37045 0.46269 1.00000
