Pr3YSb3
Alexandria ALEXAlex-ID: agm005969964 · Space group: P2_13 (#198)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_75_spg198
Y5Sb3 Pr4Sb3 PrSb
2023-08-07 00:15:03.484793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005969964).
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 agm005969964
data_agm005969964
_cell_length_a 9.50286
_cell_length_b 9.50286
_cell_length_c 9.50286
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 858.14836
_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 0.82272 0.32272 0.17728 1.00000
Pr2 Pr 0.93314 0.93314 0.93314 1.00000
Pr3 Pr 0.82042 0.67958 0.32042 1.00000
Pr4 Pr 0.17728 0.82272 0.32272 1.00000
Pr5 Pr 0.17958 0.17958 0.17958 1.00000
Pr6 Pr 0.32042 0.82042 0.67958 1.00000
Pr7 Pr 0.06686 0.43314 0.56686 1.00000
Pr8 Pr 0.32272 0.17728 0.82272 1.00000
Pr9 Pr 0.67958 0.32042 0.82042 1.00000
Pr10 Pr 0.67728 0.67728 0.67728 1.00000
Pr11 Pr 0.56686 0.06686 0.43314 1.00000
Pr12 Pr 0.43314 0.56686 0.06686 1.00000
Y1 Y 0.07180 0.57180 0.92820 1.00000
Y2 Y 0.92820 0.07180 0.57180 1.00000
Y3 Y 0.42820 0.42820 0.42820 1.00000
Y4 Y 0.57180 0.92820 0.07180 1.00000
Sb1 Sb 0.75623 0.62858 0.99804 1.00000
Sb2 Sb 0.87142 0.00196 0.25623 1.00000
Sb3 Sb 0.99804 0.75623 0.62858 1.00000
Sb4 Sb 0.12858 0.50196 0.24377 1.00000
Sb5 Sb 0.24377 0.12858 0.50196 1.00000
Sb6 Sb 0.25623 0.87142 0.00196 1.00000
Sb7 Sb 0.00196 0.25623 0.87142 1.00000
Sb8 Sb 0.37142 0.49804 0.74377 1.00000
Sb9 Sb 0.50196 0.24377 0.12858 1.00000
Sb10 Sb 0.62858 0.99804 0.75623 1.00000
Sb11 Sb 0.74377 0.37142 0.49804 1.00000
Sb12 Sb 0.49804 0.74377 0.37142 1.00000
