Li5(TbTl2)2
Alexandria ALEXAlex-ID: agm005674158 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_165_spg69
LiTbTl2 Li8Tl3 LiTbTl
2023-06-22 01:44:44.730016
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674158).
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 agm005674158
data_agm005674158
_cell_length_a 5.42083
_cell_length_b 6.12780
_cell_length_c 9.16866
_cell_angle_alpha 82.48672
_cell_angle_beta 72.80542
_cell_angle_gamma 63.74834
_cell_volume 260.94213
_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 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.50000 0.50000 0.00000 1.00000
Li4 Li 0.25000 0.50000 0.50000 1.00000
Li5 Li 0.75000 0.50000 0.50000 1.00000
Tb1 Tb 0.82667 0.00000 0.34666 1.00000
Tb2 Tb 0.17333 1.00000 0.65334 1.00000
Tl1 Tl 0.78262 0.69439 0.74036 1.00000
Tl2 Tl 0.21738 0.30561 0.25964 1.00000
Tl3 Tl 0.52298 0.69439 0.25964 1.00000
Tl4 Tl 0.47702 0.30561 0.74036 1.00000
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