HfH6Os
Alexandria ALEXAlex-ID: agm007362906 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1260_spg10
HfH4Os H2
2025-05-27 18:41:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007362906).
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 agm007362906
data_agm007362906
_cell_length_a 4.13134
_cell_length_b 5.71377
_cell_length_c 5.14903
_cell_angle_alpha 90.00000
_cell_angle_beta 113.49373
_cell_angle_gamma 90.00000
_cell_volume 111.46992
_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 0.79007 0.50000 0.07791 1.00000
Hf2 Hf 0.21101 0.00000 0.92158 1.00000
H1 H 0.62779 0.19868 0.21421 1.00000
H2 H 0.37327 0.30132 0.78528 1.00000
H3 H 0.91253 0.69908 0.78474 1.00000
H4 H 0.08854 0.80092 0.21475 1.00000
H5 H 0.37327 0.69868 0.78528 1.00000
H6 H 0.62779 0.80132 0.21421 1.00000
H7 H 0.08854 0.19908 0.21475 1.00000
H8 H 0.91253 0.30092 0.78474 1.00000
H9 H 0.21502 0.50000 0.46739 1.00000
H10 H 0.75410 0.50000 0.46695 1.00000
H11 H 0.78605 0.00000 0.53210 1.00000
H12 H 0.24697 0.00000 0.53254 1.00000
Os1 Os 0.50054 0.74999 0.49976 1.00000
Os2 Os 0.50054 0.25001 0.49976 1.00000
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