Li3(MgHg)4
Alexandria ALEXAlex-ID: agm005709361 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_206_spg12
LiMg3Hg2 Li3MgHg4 LiMg2Hg
2023-07-02 00:34:54.879369
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709361).
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 agm005709361
data_agm005709361
_cell_length_a 3.39094
_cell_length_b 3.70889
_cell_length_c 17.56506
_cell_angle_alpha 96.08521
_cell_angle_beta 95.57473
_cell_angle_gamma 89.99093
_cell_volume 218.61413
_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 0.63314 0.63645 0.27323 1.00000
Li2 Li 0.36684 0.36356 0.72676 1.00000
Li3 Li 0.00004 0.00005 0.00001 1.00000
Mg1 Mg 0.08407 0.08917 0.17792 1.00000
Mg2 Mg 0.27695 0.27741 0.55433 1.00000
Mg3 Mg 0.72288 0.72258 0.44566 1.00000
Mg4 Mg 0.91595 0.91087 0.82208 1.00000
Hg1 Hg 0.54280 0.54560 0.08928 1.00000
Hg2 Hg 0.45727 0.45447 0.91074 1.00000
Hg3 Hg 0.82554 0.82469 0.64867 1.00000
Hg4 Hg 0.17438 0.17530 0.35131 1.00000
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