Li3MgIn
Alexandria ALEXAlex-ID: agm005719600 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_957_spg160
Li2MgIn Li3Mg5 Li13In5
2023-07-04 12:52:48.086940
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005719600).
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 agm005719600
data_agm005719600
_cell_length_a 5.00270
_cell_length_b 5.00270
_cell_length_c 5.00270
_cell_angle_alpha 66.84000
_cell_angle_beta 66.84001
_cell_angle_gamma 66.84000
_cell_volume 101.53140
_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 0.83044 0.32198 0.32198 1.00000
Li2 Li 0.32198 0.83044 0.32198 1.00000
Li3 Li 0.32198 0.32198 0.83044 1.00000
Mg1 Mg 0.69974 0.69974 0.69974 1.00000
In1 In 0.95086 0.95086 0.95086 1.00000
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