Pr4Pt2Pb
Alexandria ALEXAlex-ID: agm003458017 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1279_spg141
Pr5PtPb2 PrPt
2022-03-01 00:48:20.951769
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458017).
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 agm003458017
data_agm003458017
_cell_length_a 8.27307
_cell_length_b 8.27335
_cell_length_c 8.51789
_cell_angle_alpha 108.97855
_cell_angle_beta 108.94105
_cell_angle_gamma 109.34903
_cell_volume 455.03184
_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 0.92648 0.23202 0.32969 1.00000
Pr2 Pr 0.32371 0.51801 0.17046 1.00000
Pr3 Pr 0.90232 0.59681 0.67042 1.00000
Pr4 Pr 0.76793 0.07360 0.67034 1.00000
Pr5 Pr 0.40319 0.09758 0.32953 1.00000
Pr6 Pr 0.34753 0.15320 0.82942 1.00000
Pr7 Pr 0.48206 0.67647 0.82973 1.00000
Pr8 Pr 0.84678 0.65233 0.17041 1.00000
Pt1 Pt 0.62496 0.37501 0.74996 1.00000
Pt2 Pt 0.62505 0.87502 0.25004 1.00000
Pt3 Pt 0.62500 0.37488 0.24991 1.00000
Pt4 Pt 0.12499 0.37509 0.75009 1.00000
Pb1 Pb 0.24973 0.74959 0.50002 1.00000
Pb2 Pb 0.00026 0.00040 0.99997 1.00000
Get direct link