Os2Br4Cl5
Alexandria ALEXAlex-ID: agm005682199 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_741_spg10
OsBr3Cl2 Os OsCl4
2023-06-21 13:32:24.200677
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682199).
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 agm005682199
data_agm005682199
_cell_length_a 3.81087
_cell_length_b 8.00809
_cell_length_c 12.91944
_cell_angle_alpha 62.14385
_cell_angle_beta 89.99992
_cell_angle_gamma 89.99994
_cell_volume 348.58588
_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
Os1 Os 1.00000 0.96413 0.26767 1.00000
Os2 Os 0.00000 0.03587 0.73233 1.00000
Br1 Br 0.50000 0.15245 0.29111 1.00000
Br2 Br 0.50000 0.77401 0.24278 1.00000
Br3 Br 0.50000 0.84755 0.70889 1.00000
Br4 Br 0.50000 0.22599 0.75722 1.00000
Cl1 Cl 1.00000 0.23762 0.53717 1.00000
Cl2 Cl 0.00000 0.84812 0.92929 1.00000
Cl3 Cl 0.00000 0.50000 0.00000 1.00000
Cl4 Cl 1.00000 0.15188 0.07071 1.00000
Cl5 Cl 0.00000 0.76238 0.46283 1.00000
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