Tb2ThHg5
Alexandria ALEXAlex-ID: agm003480163 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_14_spg139
Tb3Hg5 Tb3Hg4 ThHg2
2022-02-23 04:50:09.890728
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003480163).
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 agm003480163
data_agm003480163
_cell_length_a 5.27257
_cell_length_b 5.27257
_cell_length_c 8.25907
_cell_angle_alpha 108.61448
_cell_angle_beta 108.61448
_cell_angle_gamma 90.00000
_cell_volume 204.87738
_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 0.73306 0.73306 0.46611 1.00000
Tb2 Tb 0.26694 0.26694 0.53389 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.50000 0.50000 0.00000 1.00000
Hg2 Hg 0.87291 0.37291 0.74581 1.00000
Hg3 Hg 0.37291 0.87291 0.74581 1.00000
Hg4 Hg 0.12709 0.62709 0.25419 1.00000
Hg5 Hg 0.62709 0.12709 0.25419 1.00000
