Li5Zn2Ag5
Alexandria ALEXAlex-ID: agm005651683 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_141_spg2
Li2Zn2Ag LiZnAg2 LiAg
2023-06-19 03:11:16.931437
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651683).
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 agm005651683
data_agm005651683
_cell_length_a 4.94816
_cell_length_b 4.85967
_cell_length_c 9.98526
_cell_angle_alpha 74.84411
_cell_angle_beta 96.09217
_cell_angle_gamma 60.27091
_cell_volume 193.12728
_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 0.50000 0.50000 1.00000
Li2 Li 0.66975 0.65837 0.00100 1.00000
Li3 Li 0.49661 0.73760 0.25585 1.00000
Li4 Li 0.50339 0.26240 0.74415 1.00000
Li5 Li 0.33025 0.34163 0.99900 1.00000
Zn1 Zn 0.16345 0.91932 0.75261 1.00000
Zn2 Zn 0.83655 0.08068 0.24739 1.00000
Ag1 Ag 0.67446 0.16225 0.50084 1.00000
Ag2 Ag 0.83443 0.58543 0.75542 1.00000
Ag3 Ag 0.16557 0.41457 0.24458 1.00000
Ag4 Ag 0.32554 0.83775 0.49916 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
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