LiMg2(GaCu)2
Alexandria ALEXAlex-ID: agm024136391 · 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
AB2C2D2_65_spg2
LiGa Mg2GaCu3 Mg2Ga
2025-05-19 11:04:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024136391).
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 agm024136391
data_agm024136391
_cell_length_a 7.44295
_cell_length_b 7.44295
_cell_length_c 7.44295
_cell_angle_alpha 33.78672
_cell_angle_beta 33.78672
_cell_angle_gamma 33.78672
_cell_volume 113.61959
_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 0.00000 1.00000
Mg1 Mg 0.12823 0.12823 0.12823 1.00000
Mg2 Mg 0.87177 0.87177 0.87177 1.00000
Ga1 Ga 0.61165 0.61165 0.61165 1.00000
Ga2 Ga 0.38835 0.38835 0.38835 1.00000
Cu1 Cu 0.73699 0.73699 0.73699 1.00000
Cu2 Cu 0.26301 0.26301 0.26301 1.00000
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