Pr3Sn5
Alexandria ALEXAlex-ID: agm005535232 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_2_spg62
PrSn2 Pr3Sn4
2023-05-28 02:37:35.489780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535232).
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 agm005535232
data_agm005535232
_cell_length_a 6.55237
_cell_length_b 10.66085
_cell_length_c 13.09547
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 914.76834
_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
Pr1 Pr 0.63066 0.25000 0.05855 1.00000
Pr2 Pr 0.86934 0.25000 0.55855 1.00000
Pr3 Pr 0.36934 0.75000 0.94145 1.00000
Pr4 Pr 0.13066 0.75000 0.44145 1.00000
Pr5 Pr 0.12569 0.50465 0.15101 1.00000
Pr6 Pr 0.37431 0.99535 0.65101 1.00000
Pr7 Pr 0.87431 0.00465 0.84899 1.00000
Pr8 Pr 0.62569 0.49535 0.34899 1.00000
Pr9 Pr 0.87431 0.49535 0.84899 1.00000
Pr10 Pr 0.62569 0.00465 0.34899 1.00000
Pr11 Pr 0.12569 0.99535 0.15101 1.00000
Pr12 Pr 0.37431 0.50465 0.65101 1.00000
Sn1 Sn 0.39507 0.25000 0.49841 1.00000
Sn2 Sn 0.10493 0.25000 0.99841 1.00000
Sn3 Sn 0.60493 0.75000 0.50159 1.00000
Sn4 Sn 0.89507 0.75000 0.00159 1.00000
Sn5 Sn 0.35338 0.25000 0.25760 1.00000
Sn6 Sn 0.14662 0.25000 0.75760 1.00000
Sn7 Sn 0.64662 0.75000 0.74240 1.00000
Sn8 Sn 0.85338 0.75000 0.24240 1.00000
Sn9 Sn 0.89146 0.25000 0.27211 1.00000
Sn10 Sn 0.60854 0.25000 0.77211 1.00000
Sn11 Sn 0.10854 0.75000 0.72789 1.00000
Sn12 Sn 0.39146 0.75000 0.22789 1.00000
Sn13 Sn 0.12794 0.45166 0.40933 1.00000
Sn14 Sn 0.37206 0.04834 0.90933 1.00000
Sn15 Sn 0.87206 0.95166 0.59067 1.00000
Sn16 Sn 0.62794 0.54834 0.09067 1.00000
Sn17 Sn 0.87206 0.54834 0.59067 1.00000
Sn18 Sn 0.62794 0.95166 0.09067 1.00000
Sn19 Sn 0.12794 0.04834 0.40933 1.00000
Sn20 Sn 0.37206 0.45166 0.90933 1.00000
