Tb2I2Cl
Alexandria ALEXAlex-ID: agm005877343 · 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
AB2C2_2587_spg12
Tb2Cl3 TbI3 Tb
2023-08-03 13:52:30.178051
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877343).
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 agm005877343
data_agm005877343
_cell_length_a 4.15601
_cell_length_b 7.69253
_cell_length_c 11.62699
_cell_angle_alpha 94.65364
_cell_angle_beta 100.29538
_cell_angle_gamma 90.00000
_cell_volume 364.48749
_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
Tb1 Tb 0.18750 0.91848 0.37500 1.00000
Tb2 Tb 0.81250 0.08152 0.62500 1.00000
Tb3 Tb 0.32373 0.66463 0.64746 1.00000
Tb4 Tb 0.67627 0.33537 0.35254 1.00000
I1 I 0.08537 0.19051 0.17074 1.00000
I2 I 0.91463 0.80949 0.82926 1.00000
I3 I 0.40311 0.27050 0.80622 1.00000
I4 I 0.59689 0.72950 0.19378 1.00000
Cl1 Cl 0.20496 0.56702 0.40992 1.00000
Cl2 Cl 0.79504 0.43298 0.59008 1.00000
获取直接链接