Li5Mg4Sn
Alexandria ALEXAlex-ID: agm003659628 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
LiMg2 LiMg7 Li7Sn2
2022-04-06 19:06:12.551592
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003659628).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm003659628
data_agm003659628
_cell_length_a 5.11412
_cell_length_b 6.96275
_cell_length_c 6.96275
_cell_angle_alpha 82.24880
_cell_angle_beta 68.45395
_cell_angle_gamma 68.45395
_cell_volume 214.49267
_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 0.77402 0.36705 0.00012 1.00000
Li2 Li 0.14108 0.00012 0.63295 1.00000
Li3 Li 0.77415 0.99988 0.36705 1.00000
Li4 Li 0.14120 0.63295 0.99988 1.00000
Li5 Li 0.71681 0.00000 0.00000 1.00000
Mg1 Mg 0.43258 0.32444 0.67547 1.00000
Mg2 Mg 0.75702 0.67547 0.67556 1.00000
Mg3 Mg 0.10805 0.32453 0.32444 1.00000
Mg4 Mg 0.43248 0.67556 0.32453 1.00000
Sn1 Sn 0.23292 1.00000 1.00000 1.00000
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