Pr6Ni2Pd
Alexandria ALEXAlex-ID: agm005803462 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_798_spg71
Pr7Pd3 Pr3Ni PrNi
2023-07-12 21:41:56.043099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803462).
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 agm005803462
data_agm005803462
_cell_length_a 8.63514
_cell_length_b 8.63483
_cell_length_c 8.63514
_cell_angle_alpha 106.49161
_cell_angle_beta 107.91041
_cell_angle_gamma 114.11816
_cell_volume 493.10138
_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 0.52369 0.70062 0.82309 1.00000
Pr2 Pr 0.47630 0.29938 0.17692 1.00000
Pr3 Pr 0.12246 0.29938 0.82308 1.00000
Pr4 Pr 0.87753 0.70062 0.17693 1.00000
Pr5 Pr 0.80195 0.78661 0.58857 1.00000
Pr6 Pr 0.19802 0.21343 0.41144 1.00000
Pr7 Pr 0.19803 0.78659 0.98463 1.00000
Pr8 Pr 0.80198 0.21342 0.01539 1.00000
Pr9 Pr 0.70719 0.37710 0.66990 1.00000
Pr10 Pr 0.29282 0.62292 0.33009 1.00000
Pr11 Pr 0.29277 0.96266 0.66988 1.00000
Pr12 Pr 0.70720 0.03731 0.33010 1.00000
Ni1 Ni 0.49999 0.37031 0.87032 1.00000
Ni2 Ni 0.50000 0.62967 0.12967 1.00000
Ni3 Ni 0.63186 0.00001 0.63186 1.00000
Ni4 Ni 0.36815 0.00001 0.36816 1.00000
Pd1 Pd 0.00005 0.49996 0.49997 1.00000
Pd2 Pd 0.99999 0.00000 0.99999 1.00000
Get direct link