MgAlB14
Alexandria ALEXAlex-ID: agm005754599 · 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
MgB7 MgAlB4 Mg(AlB14)2
2023-07-18 13:54:00.559854
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754599).
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 agm005754599
data_agm005754599
_cell_length_a 5.91331
_cell_length_b 7.21368
_cell_length_c 7.21368
_cell_angle_alpha 68.47085
_cell_angle_beta 65.80348
_cell_angle_gamma 65.80348
_cell_volume 248.58941
_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 0.40181 0.09819 1.00000
Mg2 Mg 0.75000 0.59819 0.90181 1.00000
Al1 Al 0.50000 0.00000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
B1 B 0.66677 0.36460 0.30185 1.00000
B2 B 0.33323 0.63540 0.69815 1.00000
B3 B 0.16677 0.80185 0.86460 1.00000
B4 B 0.83323 0.19815 0.13540 1.00000
B5 B 0.14888 0.23400 0.46825 1.00000
B6 B 0.85112 0.76600 0.53175 1.00000
B7 B 0.64888 0.96825 0.73400 1.00000
B8 B 0.35112 0.03175 0.26600 1.00000
B9 B 0.08714 0.08437 0.74135 1.00000
B10 B 0.91286 0.91563 0.25865 1.00000
B11 B 0.58714 0.24135 0.58437 1.00000
B12 B 0.41286 0.75865 0.41563 1.00000
B13 B 0.72282 0.60087 0.27355 1.00000
B14 B 0.59724 0.39913 0.72645 1.00000
B15 B 0.22282 0.77355 0.10087 1.00000
B16 B 0.09724 0.22645 0.89913 1.00000
B17 B 0.27718 0.39913 0.72645 1.00000
B18 B 0.40276 0.60087 0.27355 1.00000
B19 B 0.77718 0.22645 0.89913 1.00000
B20 B 0.90276 0.77355 0.10087 1.00000
B21 B 0.32666 0.96576 0.87321 1.00000
B22 B 0.16564 0.03424 0.12679 1.00000
B23 B 0.82666 0.37321 0.46576 1.00000
B24 B 0.66564 0.62679 0.53424 1.00000
B25 B 0.67334 0.03424 0.12679 1.00000
B26 B 0.83436 0.96576 0.87321 1.00000
B27 B 0.17334 0.62679 0.53424 1.00000
B28 B 0.33436 0.37321 0.46576 1.00000
