MgSn4Te5
Alexandria ALEXAlex-ID: agm006089691 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_528_spg12
SnTe MgTe
2023-10-17 13:29:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089691).
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 agm006089691
data_agm006089691
_cell_length_a 4.47819
_cell_length_b 4.47819
_cell_length_c 18.40153
_cell_angle_alpha 83.01095
_cell_angle_beta 83.01095
_cell_angle_gamma 60.00000
_cell_volume 316.41664
_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 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.89782 0.89782 0.30653 1.00000
Sn2 Sn 0.29919 0.29919 0.10244 1.00000
Sn3 Sn 0.70081 0.70081 0.89756 1.00000
Sn4 Sn 0.10218 0.10218 0.69347 1.00000
Te1 Te 0.40162 0.40162 0.79513 1.00000
Te2 Te 0.00000 0.00000 0.00000 1.00000
Te3 Te 0.59838 0.59838 0.20487 1.00000
Te4 Te 0.80394 0.80394 0.58819 1.00000
Te5 Te 0.19606 0.19606 0.41181 1.00000
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