Mg5Sn6
Alexandria ALEXAlex-ID: agm005537814 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6_70_spg71
Mg2Sn Sn
2023-05-28 21:44:37.882159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005537814).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005537814
data_agm005537814
_cell_length_a 5.24422
_cell_length_b 6.94453
_cell_length_c 8.74863
_cell_angle_alpha 113.19405
_cell_angle_beta 107.19850
_cell_angle_gamma 90.58229
_cell_volume 276.84283
_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 0.66639 0.66639 0.33278 1.00000
Mg3 Mg 0.33361 0.33361 0.66722 1.00000
Mg4 Mg 0.31846 0.81846 0.63691 1.00000
Mg5 Mg 0.68154 0.18154 0.36309 1.00000
Sn1 Sn 0.50105 0.77219 1.00000 1.00000
Sn2 Sn 0.49895 0.22781 0.00000 1.00000
Sn3 Sn 0.84570 0.08118 0.69045 1.00000
Sn4 Sn 0.84475 0.60927 0.69045 1.00000
Sn5 Sn 0.15430 0.91882 0.30955 1.00000
Sn6 Sn 0.15525 0.39073 0.30955 1.00000
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