Mg4In2Sn3
Alexandria ALEXAlex-ID: agm005667296 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1067_spg12
Sn In Mg2Sn
2023-06-30 20:46:37.222212
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667296).
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 agm005667296
data_agm005667296
_cell_length_a 4.55959
_cell_length_b 5.50238
_cell_length_c 9.83261
_cell_angle_alpha 77.49371
_cell_angle_beta 89.57810
_cell_angle_gamma 65.91325
_cell_volume 218.95302
_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 0.66747 0.67039 0.88784 1.00000
Mg2 Mg 0.00300 0.98610 0.33341 1.00000
Mg3 Mg 0.99700 0.01390 0.66659 1.00000
Mg4 Mg 0.33253 0.32961 0.11216 1.00000
In1 In 0.33787 0.33446 0.78524 1.00000
In2 In 0.66213 0.66554 0.21476 1.00000
Sn1 Sn 0.33089 0.32475 0.43810 1.00000
Sn2 Sn 0.00000 0.00000 0.00000 1.00000
Sn3 Sn 0.66911 0.67525 0.56190 1.00000
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