Er(Te2Br3)2
Alexandria ALEXAlex-ID: agm002201645 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_12_spg2
Te2Br TeBr4 ErBr3
2018-07-14 14:31:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201645).
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 agm002201645
data_agm002201645
_cell_length_a 8.20673
_cell_length_b 7.80018
_cell_length_c 7.78464
_cell_angle_alpha 68.79129
_cell_angle_beta 81.63299
_cell_angle_gamma 73.55452
_cell_volume 445.04950
_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
Te1 Te 0.40924 0.42587 0.32701 1.00000
Te2 Te 0.59076 0.57413 0.67299 1.00000
Te3 Te 0.72539 0.33908 0.46490 1.00000
Te4 Te 0.27461 0.66092 0.53510 1.00000
Br1 Br 0.97041 0.38062 0.79062 1.00000
Br2 Br 0.02959 0.61938 0.20938 1.00000
Br3 Br 0.20137 0.04078 0.24003 1.00000
Br4 Br 0.79863 0.95922 0.75997 1.00000
Br5 Br 0.70785 0.08965 0.21159 1.00000
Br6 Br 0.29215 0.91035 0.78841 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
获取直接链接