Hf5In6
Alexandria ALEXAlex-ID: agm003293003 · 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
A5B6_67_spg12
Hf2In5 Hf2In
2022-01-17 02:53:24.663113
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293003).
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 agm003293003
data_agm003293003
_cell_length_a 5.83521
_cell_length_b 6.55610
_cell_length_c 8.15774
_cell_angle_alpha 79.77785
_cell_angle_beta 66.49813
_cell_angle_gamma 63.57529
_cell_volume 256.29405
_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 0.50000 0.00000 0.50000 1.00000
Hf2 Hf 0.35663 0.28673 1.00000 1.00000
Hf3 Hf 0.64337 0.71327 0.00000 1.00000
Hf4 Hf 0.22771 0.54459 0.50000 1.00000
Hf5 Hf 0.77229 0.45541 0.50000 1.00000
In1 In 0.81235 1.00000 0.69551 1.00000
In2 In 0.18765 0.00000 0.30449 1.00000
In3 In 0.28239 0.72577 0.80614 1.00000
In4 In 0.99184 0.72577 0.19386 1.00000
In5 In 0.71761 0.27423 0.19386 1.00000
In6 In 0.00816 0.27423 0.80614 1.00000
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