Hf(ZnNi)2
Alexandria ALEXAlex-ID: agm003402017 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1352_spg70
Zn53Ni16 Hf3(Zn2Ni)2 HfNi3
2022-02-11 07:48:50.649586
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003402017).
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
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# CIF generated by HEAS from Alexandria entry agm003402017
data_agm003402017
_cell_length_a 4.78910
_cell_length_b 4.78910
_cell_length_c 8.46314
_cell_angle_alpha 97.13704
_cell_angle_beta 97.13704
_cell_angle_gamma 124.03779
_cell_volume 155.10746
_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 0.87507 0.62493 0.75000 1.00000
Hf2 Hf 0.12493 0.37507 0.25000 1.00000
Zn1 Zn 0.25073 0.00048 0.50234 1.00000
Zn2 Zn 0.50048 0.75073 0.00234 1.00000
Zn3 Zn 0.74927 0.99952 0.49766 1.00000
Zn4 Zn 0.49952 0.24927 0.99766 1.00000
Ni1 Ni 0.20582 0.29418 0.75000 1.00000
Ni2 Ni 0.45581 0.04419 0.25000 1.00000
Ni3 Ni 0.54419 0.95581 0.75000 1.00000
Ni4 Ni 0.79418 0.70582 0.25000 1.00000
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