Li4Mg3Ga
Alexandria ALEXAlex-ID: agm005990146 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
LiMg Li3Mg5 Li2Ga
2023-10-20 01:24:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990146).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005990146
data_agm005990146
_cell_length_a 4.71430
_cell_length_b 4.71430
_cell_length_c 7.42499
_cell_angle_alpha 108.72217
_cell_angle_beta 108.72151
_cell_angle_gamma 89.60611
_cell_volume 147.16402
_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
Mg1 Mg 0.00000 0.50000 0.00000 1.00000
Mg2 Mg 0.74315 0.24312 0.48490 1.00000
Mg3 Mg 0.25685 0.75688 0.51510 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Li1 Li 0.38398 0.38403 0.76830 1.00000
Li2 Li 0.61602 0.61597 0.23170 1.00000
Li3 Li 0.11601 0.11604 0.23170 1.00000
Li4 Li 0.88399 0.88396 0.76830 1.00000
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