Li2TbHg8
Alexandria ALEXAlex-ID: agm005907481 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_280_spg71
TbHg3 Hg LiHg
2023-10-20 18:33:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005907481).
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 agm005907481
data_agm005907481
_cell_length_a 4.77196
_cell_length_b 7.76492
_cell_length_c 8.22977
_cell_angle_alpha 118.12873
_cell_angle_beta 106.85320
_cell_angle_gamma 89.99999
_cell_volume 253.98007
_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
Li1 Li 0.20605 0.70546 0.41210 1.00000
Li2 Li 0.79395 0.29454 0.58790 1.00000
Tb1 Tb 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.65118 0.44881 0.30236 1.00000
Hg2 Hg 0.34814 0.14505 0.69628 1.00000
Hg3 Hg 0.15895 0.15965 0.31789 1.00000
Hg4 Hg 0.00037 0.69168 0.00074 1.00000
Hg5 Hg 0.84105 0.84035 0.68211 1.00000
Hg6 Hg 0.65186 0.85495 0.30372 1.00000
Hg7 Hg 0.34882 0.55119 0.69764 1.00000
Hg8 Hg 0.99963 0.30832 0.99925 1.00000
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