CuNiPd3
Alexandria ALEXAlex-ID: agm003705693 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5306_spg15
CuPd3 Ni
2022-04-30 19:31:35.992234
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705693).
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 agm003705693
data_agm003705693
_cell_length_a 4.88696
_cell_length_b 7.80784
_cell_length_c 7.80784
_cell_angle_alpha 84.68557
_cell_angle_beta 77.98511
_cell_angle_gamma 77.98511
_cell_volume 284.63252
_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
Cu1 Cu 0.25000 0.90611 0.09389 1.00000
Cu2 Cu 0.75000 0.09389 0.90611 1.00000
Cu3 Cu 0.25000 0.12747 0.87253 1.00000
Cu4 Cu 0.75000 0.87253 0.12747 1.00000
Ni1 Ni 0.03511 0.54195 0.64682 1.00000
Ni2 Ni 0.46489 0.35318 0.45805 1.00000
Ni3 Ni 0.96489 0.45805 0.35318 1.00000
Ni4 Ni 0.53511 0.64682 0.54195 1.00000
Pd1 Pd 0.63736 0.72961 0.85598 1.00000
Pd2 Pd 0.86264 0.14402 0.27039 1.00000
Pd3 Pd 0.36264 0.27039 0.14402 1.00000
Pd4 Pd 0.13736 0.85598 0.72961 1.00000
Pd5 Pd 0.86622 0.38171 0.97443 1.00000
Pd6 Pd 0.63378 0.02557 0.61829 1.00000
Pd7 Pd 0.13378 0.61829 0.02557 1.00000
Pd8 Pd 0.36622 0.97443 0.38171 1.00000
Pd9 Pd 0.47659 0.40020 0.77501 1.00000
Pd10 Pd 0.02341 0.22499 0.59980 1.00000
Pd11 Pd 0.52341 0.59980 0.22499 1.00000
Pd12 Pd 0.97659 0.77501 0.40020 1.00000
