Sn4Hg3Br10
Alexandria ALEXAlex-ID: agm008299472 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C10_46_spg12
HgBr Hg SnBr2
2024-05-28 12:05:47.927772
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008299472).
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 agm008299472
data_agm008299472
_cell_length_a 7.50333
_cell_length_b 7.50333
_cell_length_c 16.48819
_cell_angle_alpha 83.75912
_cell_angle_beta 83.75912
_cell_angle_gamma 66.35757
_cell_volume 843.16550
_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
Sn1 Sn 0.78513 0.78513 0.88475 1.00000
Sn2 Sn 0.21487 0.21487 0.11525 1.00000
Sn3 Sn 0.60162 0.60162 0.35448 1.00000
Sn4 Sn 0.39838 0.39838 0.64552 1.00000
Hg1 Hg 0.62125 0.62125 0.68411 1.00000
Hg2 Hg 0.37875 0.37875 0.31589 1.00000
Hg3 Hg 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.04212 0.54651 0.72572 1.00000
Br2 Br 0.57527 0.57527 0.86415 1.00000
Br3 Br 0.54651 0.04212 0.72572 1.00000
Br4 Br 0.95788 0.45349 0.27428 1.00000
Br5 Br 0.45349 0.95788 0.27428 1.00000
Br6 Br 0.42473 0.42473 0.13585 1.00000
Br7 Br 0.33980 0.33980 0.49503 1.00000
Br8 Br 0.66020 0.66020 0.50497 1.00000
Br9 Br 0.50000 0.00000 0.00000 1.00000
Br10 Br 0.00000 0.50000 0.00000 1.00000
获取直接链接