K2H7Os
Alexandria ALEXAlex-ID: agm006206995 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_879_spg42
K2H7Os
2024-02-07 10:11:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006206995).
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 agm006206995
data_agm006206995
_cell_length_a 5.85095
_cell_length_b 5.88677
_cell_length_c 5.95395
_cell_angle_alpha 85.49691
_cell_angle_beta 62.87732
_cell_angle_gamma 118.16040
_cell_volume 149.22230
_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
H1 H 0.02866 0.55997 0.14934 1.00000
H2 H 0.01659 0.15596 0.81110 1.00000
H3 H 0.27483 0.39298 0.95476 1.00000
H4 H 0.84060 0.15181 0.20382 1.00000
H5 H 0.39141 0.66278 0.66941 1.00000
H6 H 0.62756 0.24449 0.07905 1.00000
H7 H 0.99484 0.66412 0.80610 1.00000
K1 K 0.52407 0.16057 0.68065 1.00000
K2 K 0.51458 0.65378 0.19207 1.00000
Os1 Os 0.01925 0.41093 0.92187 1.00000
