Mg5SnBi
Alexandria ALEXAlex-ID: agm003759502 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_366_spg15
Mg2Sn Mg Mg3Bi2
2022-04-19 18:05:39.005130
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003759502).
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 agm003759502
data_agm003759502
_cell_length_a 6.18661
_cell_length_b 6.18661
_cell_length_c 9.78311
_cell_angle_alpha 96.50869
_cell_angle_beta 96.50869
_cell_angle_gamma 87.47782
_cell_volume 369.44479
_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 0.97417 0.65159 0.22639 1.00000
Mg2 Mg 0.23766 0.43921 0.48824 1.00000
Mg3 Mg 0.65159 0.97417 0.72639 1.00000
Mg4 Mg 0.80583 0.19417 0.25000 1.00000
Mg5 Mg 0.56079 0.76234 0.01176 1.00000
Mg6 Mg 0.43921 0.23766 0.98824 1.00000
Mg7 Mg 0.19417 0.80583 0.75000 1.00000
Mg8 Mg 0.34841 0.02583 0.27361 1.00000
Mg9 Mg 0.76234 0.56079 0.51176 1.00000
Mg10 Mg 0.02583 0.34841 0.77361 1.00000
Sn1 Sn 0.46323 0.53677 0.25000 1.00000
Sn2 Sn 0.53677 0.46323 0.75000 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Bi2 Bi 0.00000 0.00000 0.50000 1.00000
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