Pr2Cu4Sn5
Alexandria ALEXAlex-ID: agm005508522 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_129_spg107
Pr2Sn5 Cu
2023-03-16 10:27:46.554272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508522).
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
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# CIF generated by HEAS from Alexandria entry agm005508522
data_agm005508522
_cell_length_a 13.13775
_cell_length_b 13.13775
_cell_length_c 13.13775
_cell_angle_alpha 160.50666
_cell_angle_beta 160.50666
_cell_angle_gamma 27.70407
_cell_volume 252.39400
_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 0.99834 0.99834 0.00000 1.00000
Pr2 Pr 0.67897 0.67897 0.00000 1.00000
Cu1 Cu 0.59018 0.09018 0.50000 1.00000
Cu2 Cu 0.09018 0.59018 0.50000 1.00000
Cu3 Cu 0.13420 0.13420 1.00000 1.00000
Cu4 Cu 0.22792 0.22792 0.00000 1.00000
Sn1 Sn 0.78630 0.28630 0.50000 1.00000
Sn2 Sn 0.28630 0.78630 0.50000 1.00000
Sn3 Sn 0.90037 0.40037 0.50000 1.00000
Sn4 Sn 0.40037 0.90037 0.50000 1.00000
Sn5 Sn 0.53287 0.53287 1.00000 1.00000
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