Pr3Sb5Pt6
Alexandria ALEXAlex-ID: agm005702143 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_6_spg59
Pr3Sb4Pt7 PrSbPt Sb2Pt
2023-06-30 13:58:11.793976
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702143).
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 agm005702143
data_agm005702143
_cell_length_a 4.47171
_cell_length_b 10.31674
_cell_length_c 13.51707
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 623.58887
_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 0.25236 0.67300 1.00000
Pr2 Pr 0.50000 0.74764 0.17300 1.00000
Pr3 Pr 0.50000 0.74764 0.82700 1.00000
Pr4 Pr 0.00000 0.24174 0.00000 1.00000
Pr5 Pr 0.50000 0.75826 0.50000 1.00000
Pr6 Pr 0.00000 0.25236 0.32700 1.00000
Sb1 Sb 0.00000 0.51298 0.86428 1.00000
Sb2 Sb 0.00000 0.88145 0.67603 1.00000
Sb3 Sb 0.00000 0.79813 0.00000 1.00000
Sb4 Sb 0.50000 0.48702 0.63572 1.00000
Sb5 Sb 0.50000 0.20187 0.50000 1.00000
Sb6 Sb 0.00000 0.51298 0.13572 1.00000
Sb7 Sb 0.50000 0.48702 0.36428 1.00000
Sb8 Sb 0.00000 0.88145 0.32397 1.00000
Sb9 Sb 0.50000 0.11855 0.82397 1.00000
Sb10 Sb 0.50000 0.11855 0.17603 1.00000
Pt1 Pt 0.00000 0.98560 0.86242 1.00000
Pt2 Pt 0.50000 0.01440 0.63758 1.00000
Pt3 Pt 0.50000 0.37364 0.82297 1.00000
Pt4 Pt 0.50000 0.51940 1.00000 1.00000
Pt5 Pt 0.00000 0.48060 0.50000 1.00000
Pt6 Pt 0.00000 0.62636 0.67703 1.00000
Pt7 Pt 0.00000 0.62636 0.32297 1.00000
Pt8 Pt 0.50000 0.98573 0.00000 1.00000
Pt9 Pt 0.00000 0.98560 0.13758 1.00000
Pt10 Pt 0.50000 0.37364 0.17703 1.00000
Pt11 Pt 0.00000 0.01427 0.50000 1.00000
Pt12 Pt 0.50000 0.01440 0.36242 1.00000
