Hf4AsRh
Alexandria ALEXAlex-ID: agm003746051 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1240_spg15
Hf3As HfRh
2022-04-18 06:43:28.586097
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003746051).
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 agm003746051
data_agm003746051
_cell_length_a 6.65747
_cell_length_b 6.13216
_cell_length_c 7.68914
_cell_angle_alpha 106.71854
_cell_angle_beta 109.30490
_cell_angle_gamma 104.86819
_cell_volume 261.37439
_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 0.90279 0.33000 0.08223 1.00000
Hf2 Hf 0.67944 0.75224 0.08223 1.00000
Hf3 Hf 0.34358 0.58028 0.61043 1.00000
Hf4 Hf 0.65642 0.41972 0.38957 1.00000
Hf5 Hf 0.23315 0.96984 0.38957 1.00000
Hf6 Hf 0.32056 0.24776 0.91777 1.00000
Hf7 Hf 0.76685 0.03016 0.61043 1.00000
Hf8 Hf 0.09721 0.67000 0.91777 1.00000
As1 As 0.05779 0.80779 0.61557 1.00000
As2 As 0.94221 0.19221 0.38443 1.00000
Rh1 Rh 0.38386 0.63386 0.26771 1.00000
Rh2 Rh 0.61614 0.36614 0.73229 1.00000
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