Li4Tl2Ag5
Alexandria ALEXAlex-ID: agm005665449 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_184_spg12
Li3Ag8 Li3Tl2Ag LiTl
2023-06-22 00:46:38.711201
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665449).
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 agm005665449
data_agm005665449
_cell_length_a 5.62753
_cell_length_b 5.55060
_cell_length_c 7.47131
_cell_angle_alpha 111.80519
_cell_angle_beta 99.43832
_cell_angle_gamma 90.00054
_cell_volume 213.27135
_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 0.59912 0.41546 0.83091 1.00000
Li2 Li 0.40088 0.58454 0.16909 1.00000
Li3 Li 0.15467 0.75274 0.50548 1.00000
Li4 Li 0.84533 0.24726 0.49452 1.00000
Tl1 Tl 0.33789 0.20442 0.40883 1.00000
Tl2 Tl 0.66211 0.79558 0.59117 1.00000
Ag1 Ag 0.09266 0.16843 0.82391 1.00000
Ag2 Ag 0.90734 0.83157 0.17609 1.00000
Ag3 Ag 0.50000 0.00000 0.00000 1.00000
Ag4 Ag 0.09266 0.65547 0.82391 1.00000
Ag5 Ag 0.90734 0.34453 0.17609 1.00000
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