Ga2H7Os
Alexandria ALEXAlex-ID: agm006201053 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_484_spg166
Os H2 Ga3Os
2024-01-01 06:25:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201053).
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 agm006201053
data_agm006201053
_cell_length_a 5.10605
_cell_length_b 5.10668
_cell_length_c 6.04535
_cell_angle_alpha 120.64423
_cell_angle_beta 59.34355
_cell_angle_gamma 127.60156
_cell_volume 102.77178
_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 0.03768 0.59355 0.30381 1.00000
H2 H 0.91707 0.99537 0.73925 1.00000
H3 H 0.21167 0.42051 0.68989 1.00000
H4 H 0.20935 0.18754 0.96085 1.00000
H5 H 0.49158 0.87408 0.49680 1.00000
H6 H 0.61259 0.29947 0.25430 1.00000
H7 H 0.80514 0.59196 0.03285 1.00000
Os1 Os 0.97274 0.35522 0.99685 1.00000
Ga1 Ga 0.42877 0.92849 0.82463 1.00000
Ga2 Ga 0.54581 0.81121 0.16894 1.00000
获取直接链接