Cs2OsS
Alexandria ALEXAlex-ID: agm005497250 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1069_spg122
Cs2S Os
2023-03-19 04:40:23.437723
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005497250).
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 agm005497250
data_agm005497250
_cell_length_a 9.44279
_cell_length_b 9.44279
_cell_length_c 9.44279
_cell_angle_alpha 93.05951
_cell_angle_beta 93.05951
_cell_angle_gamma 153.28498
_cell_volume 368.27375
_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
Cs1 Cs 0.62500 0.95194 0.82694 1.00000
Cs2 Cs 0.12500 0.79806 0.17306 1.00000
Cs3 Cs 0.04806 0.87500 0.67306 1.00000
Cs4 Cs 0.20194 0.37500 0.32694 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.25000 0.75000 0.50000 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.75000 0.25000 0.50000 1.00000
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