Th3Mg2Sn3
Alexandria ALEXAlex-ID: agm003330705 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
ThMgSn Th5Sn4 ThSn2
2022-01-22 21:22:44.999895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003330705).
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 agm003330705
data_agm003330705
_cell_length_a 4.55362
_cell_length_b 6.50083
_cell_length_c 15.88621
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.50159
_cell_volume 440.48248
_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
Th1 Th 0.93657 0.87315 0.38576 1.00000
Th2 Th 0.06343 0.12685 0.88576 1.00000
Th3 Th 0.93657 0.87315 0.11424 1.00000
Th4 Th 0.06343 0.12685 0.61424 1.00000
Th5 Th 0.63880 0.27759 0.25000 1.00000
Th6 Th 0.36120 0.72241 0.75000 1.00000
Mg1 Mg 0.77715 0.55431 0.89913 1.00000
Mg2 Mg 0.22285 0.44569 0.39913 1.00000
Mg3 Mg 0.77715 0.55431 0.60087 1.00000
Mg4 Mg 0.22285 0.44569 0.10087 1.00000
Sn1 Sn 0.61380 0.22761 0.45916 1.00000
Sn2 Sn 0.38620 0.77240 0.95916 1.00000
Sn3 Sn 0.61380 0.22761 0.04084 1.00000
Sn4 Sn 0.38620 0.77240 0.54084 1.00000
Sn5 Sn 0.35945 0.71890 0.25000 1.00000
Sn6 Sn 0.64055 0.28110 0.75000 1.00000
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