HfH4
Alexandria ALEXAlex-ID: agm090573178 · 空间群: Ama2 (#40)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_26_spg14
Hf4H15 H2
2025-05-26 22:18:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090573178).
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 agm090573178
data_agm090573178
_cell_length_a 5.10326
_cell_length_b 5.10326
_cell_length_c 4.39119
_cell_angle_alpha 89.99229
_cell_angle_beta 90.00771
_cell_angle_gamma 38.23478
_cell_volume 70.77617
_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 0.17935 0.15464 0.70162 1.00000
Hf2 Hf 0.84536 0.82065 0.20162 1.00000
H1 H 0.35853 0.36682 0.44673 1.00000
H2 H 0.63335 0.64170 0.45686 1.00000
H3 H 0.63318 0.64147 0.94673 1.00000
H4 H 0.35830 0.36665 0.95686 1.00000
H5 H 0.00188 0.99793 0.95132 1.00000
H6 H 0.00207 0.99812 0.45132 1.00000
H7 H 0.16984 0.20868 0.20228 1.00000
H8 H 0.79132 0.83016 0.70228 1.00000
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