Li(Ag4Te3)2
Alexandria ALEXAlex-ID: agm006036244 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_198_spg148
LiAgTe Ag2Te LiTe3
2023-08-31 07:22:20.905284
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006036244).
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 agm006036244
data_agm006036244
_cell_length_a 7.63448
_cell_length_b 7.63448
_cell_length_c 8.61451
_cell_angle_alpha 63.69705
_cell_angle_beta 63.69703
_cell_angle_gamma 60.00000
_cell_volume 373.59910
_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 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.88227 0.36585 0.57914 1.00000
Ag2 Ag 0.82726 0.11773 0.42086 1.00000
Ag3 Ag 0.63415 0.82726 0.42086 1.00000
Ag4 Ag 0.43006 0.43006 0.70981 1.00000
Ag5 Ag 0.56994 0.56994 0.29019 1.00000
Ag6 Ag 0.36585 0.17274 0.57914 1.00000
Ag7 Ag 0.17274 0.88227 0.57914 1.00000
Ag8 Ag 0.11773 0.63415 0.42086 1.00000
Te1 Te 0.96903 0.57472 0.19797 1.00000
Te2 Te 0.74172 0.03097 0.80203 1.00000
Te3 Te 0.42528 0.74172 0.80203 1.00000
Te4 Te 0.57472 0.25828 0.19797 1.00000
Te5 Te 0.25828 0.96903 0.19797 1.00000
Te6 Te 0.03097 0.42528 0.80203 1.00000
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