HfAl5Pd6
Alexandria ALEXAlex-ID: agm006134147 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_53_spg71
HfAlPd2 AlPd
2023-08-17 02:25:55.679224
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006134147).
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 agm006134147
data_agm006134147
_cell_length_a 4.39460
_cell_length_b 6.34898
_cell_length_c 7.62286
_cell_angle_alpha 114.61027
_cell_angle_beta 106.75338
_cell_angle_gamma 89.99985
_cell_volume 183.39073
_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 0.00000 1.00000
Al1 Al 0.66462 0.16462 0.32923 1.00000
Al2 Al 0.33199 0.33199 0.66398 1.00000
Al3 Al 0.00000 0.50000 0.00000 1.00000
Al4 Al 0.66801 0.66801 0.33602 1.00000
Al5 Al 0.33538 0.83538 0.67077 1.00000
Pd1 Pd 0.83029 0.57451 0.66061 1.00000
Pd2 Pd 0.83032 0.08610 0.66061 1.00000
Pd3 Pd 0.49999 0.73591 1.00000 1.00000
Pd4 Pd 0.50001 0.26409 0.00000 1.00000
Pd5 Pd 0.16968 0.91390 0.33939 1.00000
Pd6 Pd 0.16971 0.42549 0.33939 1.00000
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