Li4Tl3Ag4
Alexandria ALEXAlex-ID: agm005695749 · 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
A3B4C4_55_spg71
Li3Ag8 LiTl Tl
2023-07-02 00:43:10.276725
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695749).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005695749
data_agm005695749
_cell_length_a 3.31223
_cell_length_b 3.70143
_cell_length_c 17.21058
_cell_angle_alpha 96.17468
_cell_angle_beta 95.56404
_cell_angle_gamma 90.00508
_cell_volume 208.77750
_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 0.54938 0.54932 0.09916 1.00000
Li2 Li 0.45062 0.45071 0.90086 1.00000
Li3 Li 0.81009 0.81139 0.62166 1.00000
Li4 Li 0.18985 0.18863 0.37832 1.00000
Tl1 Tl 0.64044 0.63925 0.27966 1.00000
Tl2 Tl 0.35953 0.36078 0.72034 1.00000
Tl3 Tl 0.00000 0.00001 0.00001 1.00000
Ag1 Ag 0.08832 0.08814 0.17632 1.00000
Ag2 Ag 0.27194 0.27185 0.54362 1.00000
Ag3 Ag 0.72801 0.72817 0.45636 1.00000
Ag4 Ag 0.91167 0.91189 0.82370 1.00000
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