Pr3Sn5Rh6
Alexandria ALEXAlex-ID: agm005706456 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_15_spg59
Pr2Sn3Rh4 Pr(SnRh)2
2023-06-30 14:53:56.416064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706456).
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 agm005706456
data_agm005706456
_cell_length_a 4.38461
_cell_length_b 10.13221
_cell_length_c 13.55374
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 602.13536
_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 0.00000 0.25202 0.67430 1.00000
Pr2 Pr 0.50000 0.74798 0.17430 1.00000
Pr3 Pr 0.50000 0.74798 0.82570 1.00000
Pr4 Pr 0.00000 0.23762 0.00000 1.00000
Pr5 Pr 0.50000 0.76238 0.50000 1.00000
Pr6 Pr 0.00000 0.25202 0.32570 1.00000
Sn1 Sn 0.00000 0.51487 0.88238 1.00000
Sn2 Sn 0.00000 0.85824 0.66629 1.00000
Sn3 Sn 0.00000 0.84604 0.00000 1.00000
Sn4 Sn 0.50000 0.48513 0.61762 1.00000
Sn5 Sn 0.50000 0.15396 0.50000 1.00000
Sn6 Sn 0.00000 0.51487 0.11762 1.00000
Sn7 Sn 0.50000 0.48513 0.38238 1.00000
Sn8 Sn 0.00000 0.85824 0.33371 1.00000
Sn9 Sn 0.50000 0.14176 0.83371 1.00000
Sn10 Sn 0.50000 0.14176 0.16629 1.00000
Rh1 Rh 0.00000 0.99628 0.83552 1.00000
Rh2 Rh 0.50000 0.00372 0.66448 1.00000
Rh3 Rh 0.50000 0.40050 0.80012 1.00000
Rh4 Rh 0.50000 0.48446 0.00000 1.00000
Rh5 Rh 0.00000 0.51554 0.50000 1.00000
Rh6 Rh 0.00000 0.59950 0.69988 1.00000
Rh7 Rh 0.00000 0.59950 0.30012 1.00000
Rh8 Rh 0.50000 0.99871 0.00000 1.00000
Rh9 Rh 0.00000 0.99628 0.16448 1.00000
Rh10 Rh 0.50000 0.40050 0.19988 1.00000
Rh11 Rh 0.00000 0.00129 0.50000 1.00000
Rh12 Rh 0.50000 0.00372 0.33552 1.00000
