Hf3Be2Al7
Alexandria ALEXAlex-ID: agm024951379 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_54_spg12
Hf2Be17 HfAl2 HfAl3
2025-05-15 12:01:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024951379).
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 agm024951379
data_agm024951379
_cell_length_a 5.25918
_cell_length_b 5.25918
_cell_length_c 8.52528
_cell_angle_alpha 71.78254
_cell_angle_beta 108.21746
_cell_angle_gamma 119.95295
_cell_volume 190.52276
_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
Hf1 Hf 0.00000 0.00000 0.50000 1.00000
Hf2 Hf 0.85582 0.14418 0.06876 1.00000
Hf3 Hf 0.14418 0.85582 0.93124 1.00000
Be1 Be 0.63074 0.36926 0.49487 1.00000
Be2 Be 0.36926 0.63074 0.50513 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Al2 Al 0.40902 0.59098 0.25055 1.00000
Al3 Al 0.42169 0.07157 0.27876 1.00000
Al4 Al 0.92843 0.57831 0.27876 1.00000
Al5 Al 0.59098 0.40902 0.74945 1.00000
Al6 Al 0.07157 0.42169 0.72124 1.00000
Al7 Al 0.57831 0.92843 0.72124 1.00000
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