TmAg2Br5
Alexandria ALEXAlex-ID: agm005877808 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_666_spg8
AgBr TmBr3
2023-09-06 17:18:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877808).
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 agm005877808
data_agm005877808
_cell_length_a 5.61696
_cell_length_b 7.52236
_cell_length_c 7.58930
_cell_angle_alpha 81.76393
_cell_angle_beta 69.58091
_cell_angle_gamma 68.99583
_cell_volume 280.49123
_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
Tm1 Tm 0.06435 0.03463 0.03192 1.00000
Ag1 Ag 0.56612 0.52903 0.04422 1.00000
Ag2 Ag 0.56046 0.03569 0.53181 1.00000
Br1 Br 0.80522 0.26393 0.34827 1.00000
Br2 Br 0.02532 0.35949 0.80583 1.00000
Br3 Br 0.09719 0.71189 0.26162 1.00000
Br4 Br 0.31962 0.80668 0.71798 1.00000
Br5 Br 0.56173 0.03567 0.03536 1.00000
获取直接链接