Ba2Li2TmTl2
Alexandria ALEXAlex-ID: agm024299186 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_76_spg12
LiTmTl Li13Tl3 Ba2Tl Tm
2025-05-05 03:47:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024299186).
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 agm024299186
data_agm024299186
_cell_length_a 4.92478
_cell_length_b 4.92478
_cell_length_c 12.07937
_cell_angle_alpha 78.60501
_cell_angle_beta 101.39499
_cell_angle_gamma 120.02028
_cell_volume 246.97681
_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
Ba1 Ba 0.10891 0.89109 0.83317 1.00000
Ba2 Ba 0.89109 0.10891 0.16683 1.00000
Li1 Li 0.62740 0.37260 0.37930 1.00000
Li2 Li 0.37260 0.62740 0.62070 1.00000
Tm1 Tm 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.71137 0.28863 0.63700 1.00000
Tl2 Tl 0.28863 0.71137 0.36300 1.00000
获取直接链接