Pr5YSb5
Alexandria ALEXAlex-ID: agm003672872 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_0_spg12
Y5Sb3 Pr4Sb3 PrSb
2022-04-09 18:48:19.203866
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672872).
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 agm003672872
data_agm003672872
_cell_length_a 6.36525
_cell_length_b 7.78035
_cell_length_c 8.97561
_cell_angle_alpha 106.96102
_cell_angle_beta 90.00000
_cell_angle_gamma 114.14576
_cell_volume 384.32954
_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 0.67113 0.34227 0.33188 1.00000
Pr2 Pr 0.66515 0.33030 0.83267 1.00000
Pr3 Pr 0.00000 0.00000 0.50000 1.00000
Pr4 Pr 0.33485 0.66970 0.16733 1.00000
Pr5 Pr 0.32887 0.65773 0.66812 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.83516 0.67033 0.16368 1.00000
Sb2 Sb 0.83574 0.67148 0.67029 1.00000
Sb3 Sb 0.50000 0.00000 0.00000 1.00000
Sb4 Sb 0.16426 0.32852 0.32971 1.00000
Sb5 Sb 0.16484 0.32967 0.83632 1.00000
Get direct link