La4Os2Br3
Alexandria ALEXAlex-ID: agm005692630 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_352_spg164
La2Os2Br La7Os3 La3OsBr3
2023-06-26 18:33:43.307737
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692630).
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 agm005692630
data_agm005692630
_cell_length_a 4.23433
_cell_length_b 4.23434
_cell_length_c 18.36448
_cell_angle_alpha 90.06318
_cell_angle_beta 89.93682
_cell_angle_gamma 119.99201
_cell_volume 285.17686
_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
La1 La 0.33361 0.66639 0.87119 1.00000
La2 La 0.99907 0.00093 0.29837 1.00000
La3 La 0.00093 0.99907 0.70163 1.00000
La4 La 0.66639 0.33361 0.12881 1.00000
Os1 Os 0.66763 0.33237 0.79240 1.00000
Os2 Os 0.33237 0.66763 0.20760 1.00000
Br1 Br 0.66535 0.33465 0.40343 1.00000
Br2 Br 0.00000 0.00000 0.00000 1.00000
Br3 Br 0.33465 0.66535 0.59657 1.00000
获取直接链接