KH6Os
Alexandria ALEXAlex-ID: agm079436624 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_265_spg2
K2H7Os H2 Os
2025-06-26 08:21:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079436624).
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 agm079436624
data_agm079436624
_cell_length_a 3.10935
_cell_length_b 5.15278
_cell_length_c 6.30035
_cell_angle_alpha 107.69037
_cell_angle_beta 90.06124
_cell_angle_gamma 126.65763
_cell_volume 74.91734
_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
K1 K 0.09383 0.90742 0.35301 1.00000
H1 H 0.74240 0.05429 0.75716 1.00000
H2 H 0.26399 0.57826 0.02214 1.00000
H3 H 0.06354 0.87869 0.79265 1.00000
H4 H 0.69336 0.00511 0.03000 1.00000
H5 H 0.18548 0.49804 0.49182 1.00000
H6 H 0.60701 0.41498 0.76472 1.00000
Os1 Os 0.35039 0.66322 0.78851 1.00000
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