Li5(AcAg6)2
Alexandria ALEXAlex-ID: agm005678560 · 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
A2B5C12_274_spg166
Li3Ag8 AcAg3 LiAg
2023-06-25 22:17:37.080122
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678560).
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 agm005678560
data_agm005678560
_cell_length_a 7.30559
_cell_length_b 7.30559
_cell_length_c 7.30558
_cell_angle_alpha 82.01780
_cell_angle_beta 82.01779
_cell_angle_gamma 82.01779
_cell_volume 379.53838
_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 0.50000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.50000 0.00000 0.00000 1.00000
Li4 Li 0.90914 0.90914 0.90914 1.00000
Li5 Li 0.09087 0.09087 0.09087 1.00000
Ac1 Ac 0.64599 0.64599 0.64599 1.00000
Ac2 Ac 0.35401 0.35401 0.35401 1.00000
Ag1 Ag 0.29670 0.70330 1.00000 1.00000
Ag2 Ag 0.70330 0.00000 0.29670 1.00000
Ag3 Ag 1.00000 0.29670 0.70330 1.00000
Ag4 Ag 0.70330 0.29670 0.00000 1.00000
Ag5 Ag 0.29670 1.00000 0.70330 1.00000
Ag6 Ag 0.00000 0.70330 0.29670 1.00000
Ag7 Ag 0.33884 0.33884 0.85987 1.00000
Ag8 Ag 0.33884 0.85987 0.33884 1.00000
Ag9 Ag 0.85987 0.33884 0.33884 1.00000
Ag10 Ag 0.66116 0.14013 0.66116 1.00000
Ag11 Ag 0.66116 0.66116 0.14013 1.00000
Ag12 Ag 0.14013 0.66116 0.66116 1.00000
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