Ag3OsBr9
Alexandria ALEXAlex-ID: agm005999953 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C9_153_spg9
AgOsBr6 Br AgBr
2023-08-11 18:03:23.632213
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999953).
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 agm005999953
data_agm005999953
_cell_length_a 10.63580
_cell_length_b 8.44955
_cell_length_c 14.33136
_cell_angle_alpha 84.93161
_cell_angle_beta 68.21855
_cell_angle_gamma 50.99627
_cell_volume 910.39311
_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
Ag1 Ag 0.77860 0.53617 0.52253 1.00000
Ag2 Ag 0.16270 0.03617 0.02253 1.00000
Ag3 Ag 0.86736 0.04322 0.91600 1.00000
Ag4 Ag 0.17341 0.54322 0.41600 1.00000
Ag5 Ag 0.85139 0.04837 0.63281 1.00000
Ag6 Ag 0.46743 0.54837 0.13280 1.00000
Os1 Os 0.15125 0.53008 0.04006 1.00000
Os2 Os 0.27860 0.03008 0.54006 1.00000
Br1 Br 0.15699 0.19923 0.40869 1.00000
Br2 Br 0.23510 0.69923 0.90869 1.00000
Br3 Br 0.46160 0.26815 0.02178 1.00000
Br4 Br 0.24847 0.76815 0.52178 1.00000
Br5 Br 0.96638 0.26369 0.67518 1.00000
Br6 Br 0.09476 0.76369 0.17518 1.00000
Br7 Br 0.83979 0.78914 0.06346 1.00000
Br8 Br 0.30761 0.28914 0.56346 1.00000
Br9 Br 0.58177 0.80234 0.40205 1.00000
Br10 Br 0.21384 0.30234 0.90205 1.00000
Br11 Br 0.40243 0.85771 0.66847 1.00000
Br12 Br 0.07139 0.35771 0.16847 1.00000
Br13 Br 0.48461 0.34763 0.27777 1.00000
Br14 Br 0.88999 0.84763 0.77777 1.00000
Br15 Br 0.71979 0.28789 0.51445 1.00000
Br16 Br 0.47788 0.78789 0.01445 1.00000
Br17 Br 0.84217 0.28388 0.03460 1.00000
Br18 Br 0.83935 0.78388 0.53460 1.00000
