Li4MgGe
Alexandria ALEXAlex-ID: agm005779724 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_144_spg191
LiMg Li3Mg5 Li14MgGe4
2023-08-05 01:47:09.083965
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779724).
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 agm005779724
data_agm005779724
_cell_length_a 4.51287
_cell_length_b 4.51295
_cell_length_c 5.62196
_cell_angle_alpha 90.01308
_cell_angle_beta 90.00740
_cell_angle_gamma 120.00611
_cell_volume 99.15281
_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 0.67086 0.83270 0.27896 1.00000
Li2 Li 0.33752 0.16613 0.71730 1.00000
Li3 Li 0.67080 0.83273 0.71792 1.00000
Li4 Li 0.33756 0.16612 0.27835 1.00000
Mg1 Mg 0.00331 0.49951 0.99837 1.00000
Ge1 Ge 0.00404 0.49942 0.49792 1.00000
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