Mg3Sn2H
Alexandria ALEXAlex-ID: agm003417841 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1034_spg15
Mg2Sn Sn MgH2
2022-02-13 08:23:51.525504
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003417841).
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 agm003417841
data_agm003417841
_cell_length_a 5.77555
_cell_length_b 6.75462
_cell_length_c 7.21670
_cell_angle_alpha 104.78731
_cell_angle_beta 113.58769
_cell_angle_gamma 90.00000
_cell_volume 247.80474
_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 0.38630 0.25000 1.00000 1.00000
Mg2 Mg 0.61370 0.75000 0.00000 1.00000
Mg3 Mg 0.21692 0.96284 0.24074 1.00000
Mg4 Mg 0.97618 0.53716 0.75926 1.00000
Mg5 Mg 0.02382 0.46284 0.24074 1.00000
Mg6 Mg 0.78308 0.03716 0.75926 1.00000
Sn1 Sn 0.58450 0.63160 0.36532 1.00000
Sn2 Sn 0.78082 0.13160 0.36532 1.00000
Sn3 Sn 0.21918 0.86840 0.63468 1.00000
Sn4 Sn 0.41550 0.36840 0.63468 1.00000
H1 H 0.95957 0.75000 0.00000 1.00000
H2 H 0.04043 0.25000 1.00000 1.00000
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