Li5(Ga6Ag)2
Alexandria ALEXAlex-ID: agm003370330 · 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
A2B5C12_56_spg12
Li2Ga7 Li2Ga3 LiGaAg2
2022-02-07 02:37:37.888914
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370330).
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 agm003370330
data_agm003370330
_cell_length_a 6.92841
_cell_length_b 7.51271
_cell_length_c 7.24353
_cell_angle_alpha 95.22000
_cell_angle_beta 90.00000
_cell_angle_gamma 117.45895
_cell_volume 332.79494
_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 0.23756 0.47512 0.53674 1.00000
Li2 Li 0.35200 0.70401 0.06076 1.00000
Li3 Li 0.00000 0.00000 0.50000 1.00000
Li4 Li 0.64800 0.29599 0.93924 1.00000
Li5 Li 0.76244 0.52488 0.46326 1.00000
Ga1 Ga 0.84565 0.69131 0.13891 1.00000
Ga2 Ga 0.01319 0.62177 0.78860 1.00000
Ga3 Ga 0.60858 0.62177 0.78860 1.00000
Ga4 Ga 0.20072 0.79178 0.40176 1.00000
Ga5 Ga 0.59106 0.79178 0.40176 1.00000
Ga6 Ga 0.44537 0.89073 0.74432 1.00000
Ga7 Ga 0.55463 0.10927 0.25568 1.00000
Ga8 Ga 0.79928 0.20822 0.59824 1.00000
Ga9 Ga 0.40894 0.20822 0.59824 1.00000
Ga10 Ga 0.98681 0.37823 0.21140 1.00000
Ga11 Ga 0.39142 0.37823 0.21140 1.00000
Ga12 Ga 0.15435 0.30869 0.86109 1.00000
Ag1 Ag 0.79067 0.00000 0.00000 1.00000
Ag2 Ag 0.20933 1.00000 1.00000 1.00000
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