Ag5AsBr8
Alexandria ALEXAlex-ID: agm006089665 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_112_spg119
AsBr3 AgBr
2023-08-11 02:33:50.841791
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089665).
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 agm006089665
data_agm006089665
_cell_length_a 9.02568
_cell_length_b 9.02568
_cell_length_c 9.02568
_cell_angle_alpha 122.43557
_cell_angle_beta 122.43558
_cell_angle_gamma 85.83082
_cell_volume 499.32535
_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 0.91674 0.39574 0.85069 1.00000
Ag2 Ag 0.60426 0.45495 0.52099 1.00000
Ag3 Ag 0.54505 0.06604 0.14931 1.00000
Ag4 Ag 0.50000 0.50000 0.00000 1.00000
Ag5 Ag 0.93396 0.08326 0.47901 1.00000
As1 As 0.25000 0.75000 0.50000 1.00000
Br1 Br 0.09411 0.86818 0.26816 1.00000
Br2 Br 0.13182 0.39998 0.22593 1.00000
Br3 Br 0.62100 0.87042 0.29859 1.00000
Br4 Br 0.12958 0.42817 0.75058 1.00000
Br5 Br 0.67759 0.37900 0.24942 1.00000
Br6 Br 0.17405 0.90589 0.77407 1.00000
Br7 Br 0.60002 0.82595 0.73184 1.00000
Br8 Br 0.57183 0.32241 0.70141 1.00000
获取直接链接