Pr2NpPd9
Alexandria ALEXAlex-ID: agm045358889 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_118_spg10
Pr2NpPd9
2024-11-02 18:59:23.869347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045358889).
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 agm045358889
data_agm045358889
_cell_length_a 4.18880
_cell_length_b 4.18880
_cell_length_c 12.57752
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 220.68602
_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 0.00000 0.33329 1.00000
Pr2 Pr 0.00000 0.00000 0.66671 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.50000 0.50000 0.32991 1.00000
Pd3 Pd 0.50000 0.50000 0.67009 1.00000
Pd4 Pd 0.50000 0.00000 0.15735 1.00000
Pd5 Pd 0.50000 0.00000 0.50000 1.00000
Pd6 Pd 0.50000 0.00000 0.84265 1.00000
Pd7 Pd 0.00000 0.50000 0.15735 1.00000
Pd8 Pd 0.00000 0.50000 0.50000 1.00000
Pd9 Pd 0.00000 0.50000 0.84265 1.00000
Get direct link