SbOsS
Alexandria ALEXAlex-ID: agm005653966 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_9129_spg43
OsS2 Sb2Os
2023-06-20 15:20:35.611253
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653966).
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
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# CIF generated by HEAS from Alexandria entry agm005653966
data_agm005653966
_cell_length_a 8.10401
_cell_length_b 7.08846
_cell_length_c 6.59774
_cell_angle_alpha 72.51620
_cell_angle_beta 56.54061
_cell_angle_gamma 50.94319
_cell_volume 244.88795
_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 0.50232 0.65235 0.29499 1.00000
Sb2 Sb 0.95501 0.69967 0.74768 1.00000
Sb3 Sb 0.59765 0.74768 0.69967 1.00000
Sb4 Sb 0.55033 0.29499 0.65235 1.00000
Os1 Os 0.53971 0.41334 0.00700 1.00000
Os2 Os 0.83666 0.71029 0.21005 1.00000
Os3 Os 0.03995 0.00700 0.41334 1.00000
Os4 Os 0.24300 0.21005 0.71029 1.00000
S1 S 0.52420 0.12825 0.28177 1.00000
S2 S 0.12175 0.72580 0.18422 1.00000
S3 S 0.96823 0.18422 0.72580 1.00000
S4 S 0.06578 0.28177 0.12825 1.00000
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