SbH2OsO8
Alexandria ALEXAlex-ID: agm004900699 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_694_spg2
Sb2O5 OsO4 O2 H2O
2023-01-01 22:27:20.219002
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900699).
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 agm004900699
data_agm004900699
_cell_length_a 5.24269
_cell_length_b 5.16081
_cell_length_c 5.99274
_cell_angle_alpha 104.26671
_cell_angle_beta 89.59289
_cell_angle_gamma 96.77746
_cell_volume 156.00335
_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
Sb1 Sb 0.00000 0.00000 0.50000 1.00000
H1 H 0.21965 0.48538 0.65510 1.00000
H2 H 0.78035 0.51462 0.34490 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
O1 O 0.21693 0.89734 0.21206 1.00000
O2 O 0.76202 0.72384 0.02066 1.00000
O3 O 0.86815 0.21423 0.28823 1.00000
O4 O 0.78307 0.10266 0.78794 1.00000
O5 O 0.23798 0.27616 0.97934 1.00000
O6 O 0.13185 0.78577 0.71177 1.00000
O7 O 0.71750 0.69984 0.38510 1.00000
O8 O 0.28250 0.30016 0.61490 1.00000
获取直接链接