Pr3(NiPb2)2
Alexandria ALEXAlex-ID: agm005662918 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_512_spg12
PrNi5 Pr3Pb4 PrPb3
2023-06-27 17:30:36.264579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662918).
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 agm005662918
data_agm005662918
_cell_length_a 4.59387
_cell_length_b 6.33244
_cell_length_c 9.84404
_cell_angle_alpha 63.35030
_cell_angle_beta 76.50664
_cell_angle_gamma 68.73232
_cell_volume 237.65506
_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 0.37141 0.56977 0.68741 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.62859 0.43023 0.31259 1.00000
Ni1 Ni 0.29090 0.00736 0.41084 1.00000
Ni2 Ni 0.70910 0.99264 0.58916 1.00000
Pb1 Pb 0.29719 0.30996 0.09566 1.00000
Pb2 Pb 0.70281 0.69004 0.90434 1.00000
Pb3 Pb 0.08784 0.20482 0.61950 1.00000
Pb4 Pb 0.91216 0.79518 0.38050 1.00000
Get direct link