LiGaCo
Alexandria ALEXAlex-ID: agm005654967 · 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
ABC_10952_spg12
LiGa5Co6 Li3Ga2 Co
2023-06-17 19:23:18.803217
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654967).
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 agm005654967
data_agm005654967
_cell_length_a 2.82892
_cell_length_b 9.65468
_cell_length_c 9.31647
_cell_angle_alpha 114.84060
_cell_angle_beta 62.76589
_cell_angle_gamma 137.28292
_cell_volume 151.98989
_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 0.05930 0.99956 0.62592 1.00000
Li2 Li 0.54958 0.89047 0.11882 1.00000
Li3 Li 0.94070 0.00044 0.37408 1.00000
Li4 Li 0.45042 0.10953 0.88118 1.00000
Ga1 Ga 0.43916 0.35272 0.62779 1.00000
Ga2 Ga 0.05660 0.73932 0.86103 1.00000
Ga3 Ga 0.56084 0.64728 0.37221 1.00000
Ga4 Ga 0.94340 0.26068 0.13897 1.00000
Co1 Co 0.23878 0.56666 0.11919 1.00000
Co2 Co 0.74562 0.66981 0.61885 1.00000
Co3 Co 0.76122 0.43334 0.88081 1.00000
Co4 Co 0.25438 0.33019 0.38115 1.00000
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