Pr2Ag3Sn4
Alexandria ALEXAlex-ID: agm003334752 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_75_spg64
Pr3(AgSn)4 Ag3Sn Pr2Sn5
2022-01-26 22:23:51.607827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003334752).
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 agm003334752
data_agm003334752
_cell_length_a 6.39327
_cell_length_b 8.43314
_cell_length_c 8.81222
_cell_angle_alpha 90.00000
_cell_angle_beta 111.26919
_cell_angle_gamma 90.00000
_cell_volume 442.75223
_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 0.11074 0.59145 0.22148 1.00000
Pr2 Pr 0.88926 0.40855 0.77852 1.00000
Pr3 Pr 0.38926 0.09145 0.77852 1.00000
Pr4 Pr 0.61074 0.90855 0.22148 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.50000 0.00000 1.00000
Ag3 Ag 0.52471 0.75000 0.54942 1.00000
Ag4 Ag 0.97529 0.25000 0.45058 1.00000
Ag5 Ag 0.47529 0.25000 0.45058 1.00000
Ag6 Ag 0.02471 0.75000 0.54942 1.00000
Sn1 Sn 0.69604 0.75000 0.89208 1.00000
Sn2 Sn 0.80396 0.25000 0.10792 1.00000
Sn3 Sn 0.30396 0.25000 0.10792 1.00000
Sn4 Sn 0.19604 0.75000 0.89208 1.00000
Sn5 Sn 0.17877 0.97203 0.35754 1.00000
Sn6 Sn 0.82123 0.02797 0.64246 1.00000
Sn7 Sn 0.32123 0.47203 0.64246 1.00000
Sn8 Sn 0.67877 0.52797 0.35754 1.00000
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