Sm(In3Sn4)2
Alexandria ALEXAlex-ID: agm071963516 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_62_spg148
SmSn3 Sn In
2024-10-06 13:20:41.034407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071963516).
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 agm071963516
data_agm071963516
_cell_length_a 7.96723
_cell_length_b 7.96723
_cell_length_c 7.96723
_cell_angle_alpha 70.32539
_cell_angle_beta 70.32539
_cell_angle_gamma 70.32539
_cell_volume 433.95100
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
In1 In 0.19720 0.64475 0.41674 1.00000
In2 In 0.41674 0.19720 0.64475 1.00000
In3 In 0.64475 0.41674 0.19720 1.00000
In4 In 0.80280 0.35525 0.58326 1.00000
In5 In 0.58326 0.80280 0.35525 1.00000
In6 In 0.35525 0.58326 0.80280 1.00000
Sn1 Sn 0.18372 0.18372 0.18372 1.00000
Sn2 Sn 0.81628 0.81628 0.81628 1.00000
Sn3 Sn 0.81894 0.01641 0.42364 1.00000
Sn4 Sn 0.42364 0.81894 0.01641 1.00000
Sn5 Sn 0.01641 0.42364 0.81894 1.00000
Sn6 Sn 0.18106 0.98359 0.57636 1.00000
Sn7 Sn 0.57636 0.18106 0.98359 1.00000
Sn8 Sn 0.98359 0.57636 0.18106 1.00000
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