Hf3(H4Ru)2
Alexandria ALEXAlex-ID: agm006387441 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_501_spg10
HfH2 HfH3Ru
2024-02-29 21:58:59.728352
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006387441).
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 agm006387441
data_agm006387441
_cell_length_a 3.05275
_cell_length_b 4.82627
_cell_length_c 8.48315
_cell_angle_alpha 84.48283
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 124.40661
_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 0.00000 0.50455 0.72710 1.00000
Hf3 Hf 0.00000 0.49545 0.27290 1.00000
H1 H 0.00000 0.83764 0.09848 1.00000
H2 H 0.00000 0.16236 0.90152 1.00000
H3 H 0.00000 0.95652 0.69274 1.00000
H4 H 0.00000 0.04348 0.30726 1.00000
H5 H 0.50000 0.35611 0.13237 1.00000
H6 H 0.50000 0.60081 0.58574 1.00000
H7 H 0.50000 0.39919 0.41426 1.00000
H8 H 0.50000 0.64389 0.86763 1.00000
Ru1 Ru 0.50000 0.02394 0.81494 1.00000
Ru2 Ru 0.50000 0.97606 0.18506 1.00000
获取直接链接