HfNiPd
Alexandria ALEXAlex-ID: agm005643229 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_2267_spg62
HfNi3 HfNi HfPd3
2023-06-17 23:10:09.197465
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643229).
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 agm005643229
data_agm005643229
_cell_length_a 4.72656
_cell_length_b 4.87580
_cell_length_c 9.60911
_cell_angle_alpha 121.13600
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 189.54793
_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 0.75002 0.74273 0.61576 1.00000
Hf2 Hf 0.25002 0.25727 0.88424 1.00000
Hf3 Hf 0.24998 0.25727 0.38424 1.00000
Hf4 Hf 0.74998 0.74273 0.11576 1.00000
Ni1 Ni 0.24999 0.94120 0.55652 1.00000
Ni2 Ni 0.25001 0.94120 0.05652 1.00000
Ni3 Ni 0.75001 0.05880 0.44348 1.00000
Ni4 Ni 0.74999 0.05880 0.94348 1.00000
Pd1 Pd 0.74996 0.38463 0.27769 1.00000
Pd2 Pd 0.75004 0.38463 0.77769 1.00000
Pd3 Pd 0.25004 0.61537 0.72231 1.00000
Pd4 Pd 0.24996 0.61537 0.22231 1.00000
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