Pr3Sb2P
Alexandria ALEXAlex-ID: agm005759765 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
PrSb PrP
2023-08-24 08:55:45.278090
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759765).
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 agm005759765
data_agm005759765
_cell_length_a 7.70232
_cell_length_b 7.70232
_cell_length_c 13.99628
_cell_angle_alpha 100.59902
_cell_angle_beta 100.59902
_cell_angle_gamma 109.36142
_cell_volume 742.67581
_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 0.16370 0.67899 0.82624 1.00000
Pr2 Pr 0.66254 0.14725 0.82624 1.00000
Pr3 Pr 0.08630 0.07101 0.67376 1.00000
Pr4 Pr 0.58746 0.60275 0.67376 1.00000
Pr5 Pr 0.01902 0.51902 0.50000 1.00000
Pr6 Pr 0.48098 0.98098 0.50000 1.00000
Pr7 Pr 0.39725 0.41254 0.32624 1.00000
Pr8 Pr 0.92899 0.91370 0.32624 1.00000
Pr9 Pr 0.85275 0.33746 0.17376 1.00000
Pr10 Pr 0.32101 0.83630 0.17376 1.00000
Pr11 Pr 0.23098 0.23098 1.00000 1.00000
Pr12 Pr 0.76902 0.76902 0.00000 1.00000
Sb1 Sb 0.99830 0.49830 0.99660 1.00000
Sb2 Sb 0.41901 0.41901 0.83802 1.00000
Sb3 Sb 0.83099 0.33099 0.66198 1.00000
Sb4 Sb 0.25170 0.25170 0.50340 1.00000
Sb5 Sb 0.74830 0.74830 0.49660 1.00000
Sb6 Sb 0.66901 0.16901 0.33802 1.00000
Sb7 Sb 0.58099 0.58099 0.16198 1.00000
Sb8 Sb 0.50170 0.00170 0.00340 1.00000
P1 P 0.91656 0.91656 0.83311 1.00000
P2 P 0.33344 0.83344 0.66689 1.00000
P3 P 0.16656 0.66656 0.33311 1.00000
P4 P 0.08344 0.08344 0.16689 1.00000
