Tb(InHg3)2
Alexandria ALEXAlex-ID: agm005651670 · 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
AB2C6_1964_spg12
TbHg3 TbIn3 Hg
2023-07-08 05:09:20.763935
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651670).
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
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# CIF generated by HEAS from Alexandria entry agm005651670
data_agm005651670
_cell_length_a 4.81497
_cell_length_b 6.54033
_cell_length_c 8.44766
_cell_angle_alpha 67.22525
_cell_angle_beta 81.87625
_cell_angle_gamma 68.58977
_cell_volume 228.36076
_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 0.00000 0.00000 0.50000 1.00000
In1 In 0.50000 0.83652 0.82696 1.00000
In2 In 0.50000 0.16348 0.17304 1.00000
Hg1 Hg 0.16970 0.83807 0.17454 1.00000
Hg2 Hg 0.83030 0.48739 0.17454 1.00000
Hg3 Hg 0.83030 0.16193 0.82546 1.00000
Hg4 Hg 0.16970 0.51261 0.82546 1.00000
Hg5 Hg 0.32622 0.34264 0.50000 1.00000
Hg6 Hg 0.67378 0.65736 0.50000 1.00000
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