PmCuPd2
Alexandria ALEXAlex-ID: agm005702885 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
Pm2CuPd5 Pm3Pd5 Cu
2023-07-12 02:05:55.392972
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702885).
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 agm005702885
data_agm005702885
_cell_length_a 5.45196
_cell_length_b 7.19102
_cell_length_c 15.11501
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 592.58598
_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
Pm1 Pm 0.48410 0.25000 0.14285 1.00000
Pm2 Pm 0.98410 0.75000 0.35715 1.00000
Pm3 Pm 0.51590 0.75000 0.85715 1.00000
Pm4 Pm 0.01590 0.25000 0.64285 1.00000
Pm5 Pm 0.73366 0.25000 0.39286 1.00000
Pm6 Pm 0.23366 0.75000 0.10714 1.00000
Pm7 Pm 0.26634 0.75000 0.60714 1.00000
Pm8 Pm 0.76634 0.25000 0.89286 1.00000
Cu1 Cu 0.21980 0.25000 0.31900 1.00000
Cu2 Cu 0.71980 0.75000 0.18100 1.00000
Cu3 Cu 0.78020 0.75000 0.68100 1.00000
Cu4 Cu 0.28020 0.25000 0.81900 1.00000
Cu5 Cu 0.99303 0.25000 0.07067 1.00000
Cu6 Cu 0.49303 0.75000 0.42933 1.00000
Cu7 Cu 0.00697 0.75000 0.92933 1.00000
Cu8 Cu 0.50697 0.25000 0.57067 1.00000
Pd1 Pd 0.95636 0.05006 0.21407 1.00000
Pd2 Pd 0.45636 0.94994 0.28593 1.00000
Pd3 Pd 0.04364 0.55006 0.78593 1.00000
Pd4 Pd 0.54364 0.44994 0.71407 1.00000
Pd5 Pd 0.04364 0.94994 0.78593 1.00000
Pd6 Pd 0.54364 0.05006 0.71407 1.00000
Pd7 Pd 0.95636 0.44994 0.21407 1.00000
Pd8 Pd 0.45636 0.55006 0.28593 1.00000
Pd9 Pd 0.73869 0.55035 0.03568 1.00000
Pd10 Pd 0.23869 0.44965 0.46432 1.00000
Pd11 Pd 0.26131 0.05035 0.96432 1.00000
Pd12 Pd 0.76131 0.94965 0.53568 1.00000
Pd13 Pd 0.26131 0.44965 0.96432 1.00000
Pd14 Pd 0.76131 0.55035 0.53568 1.00000
Pd15 Pd 0.73869 0.94965 0.03568 1.00000
Pd16 Pd 0.23869 0.05035 0.46432 1.00000
