Pm3ThSn6
Alexandria ALEXAlex-ID: agm003579986 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_336_spg14
PmSn2 ThSn2 PmSn
2022-04-02 01:41:30.634154
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003579986).
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 agm003579986
data_agm003579986
_cell_length_a 7.40785
_cell_length_b 9.61541
_cell_length_c 8.31481
_cell_angle_alpha 90.00000
_cell_angle_beta 84.60106
_cell_angle_gamma 90.00000
_cell_volume 589.63263
_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
Pm1 Pm 0.53365 0.89885 0.69505 1.00000
Pm2 Pm 0.50000 0.50000 0.00000 1.00000
Pm3 Pm 0.46635 0.10115 0.30495 1.00000
Pm4 Pm 0.03365 0.60115 0.19505 1.00000
Pm5 Pm 0.00000 0.00000 0.50000 1.00000
Pm6 Pm 0.96635 0.39885 0.80495 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.62872 0.16746 0.93567 1.00000
Sn2 Sn 0.70639 0.22640 0.58263 1.00000
Sn3 Sn 0.79501 0.31725 0.20717 1.00000
Sn4 Sn 0.20499 0.68275 0.79283 1.00000
Sn5 Sn 0.29361 0.77360 0.41737 1.00000
Sn6 Sn 0.37128 0.83254 0.06433 1.00000
Sn7 Sn 0.12872 0.33254 0.43567 1.00000
Sn8 Sn 0.20639 0.27360 0.08263 1.00000
Sn9 Sn 0.29501 0.18275 0.70717 1.00000
Sn10 Sn 0.70499 0.81725 0.29283 1.00000
Sn11 Sn 0.79361 0.72640 0.91737 1.00000
Sn12 Sn 0.87128 0.66746 0.56433 1.00000
