Be3Al4
Alexandria ALEXAlex-ID: agm005486016 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_17_spg139
Al Be
2023-03-17 22:42:23.336868
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486016).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005486016
data_agm005486016
_cell_length_a 12.78888
_cell_length_b 12.78888
_cell_length_c 12.78888
_cell_angle_alpha 167.93245
_cell_angle_beta 167.93245
_cell_angle_gamma 17.09794
_cell_volume 91.41807
_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
Be1 Be 0.00000 0.00000 0.00000 1.00000
Be2 Be 0.27523 0.27523 0.00000 1.00000
Be3 Be 0.72477 0.72477 0.00000 1.00000
Al1 Al 0.15619 0.15619 0.00000 1.00000
Al2 Al 0.84381 0.84381 0.00000 1.00000
Al3 Al 0.43199 0.43199 0.00000 1.00000
Al4 Al 0.56801 0.56801 0.00000 1.00000
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