Pr2Cd3Pd5
Alexandria ALEXAlex-ID: agm003345992 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_99_spg72
PrCdPd2 CdPd
2022-02-02 11:57:56.907580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345992).
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 agm003345992
data_agm003345992
_cell_length_a 5.82736
_cell_length_b 9.10064
_cell_length_c 9.10064
_cell_angle_alpha 88.24188
_cell_angle_beta 71.32726
_cell_angle_gamma 71.32726
_cell_volume 431.77027
_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 0.12342 0.64584 0.10732 1.00000
Pr2 Pr 0.62342 0.10732 0.64584 1.00000
Pr3 Pr 0.87658 0.35416 0.89268 1.00000
Pr4 Pr 0.37658 0.89268 0.35416 1.00000
Cd1 Cd 0.37750 0.48759 0.75740 1.00000
Cd2 Cd 0.87750 0.75740 0.48759 1.00000
Cd3 Cd 0.62250 0.51241 0.24260 1.00000
Cd4 Cd 0.12250 0.24260 0.51241 1.00000
Cd5 Cd 0.25000 0.00000 0.00000 1.00000
Cd6 Cd 0.75000 0.00000 0.00000 1.00000
Pd1 Pd 0.37002 0.28352 0.97643 1.00000
Pd2 Pd 0.87002 0.97643 0.28352 1.00000
Pd3 Pd 0.62998 0.71648 0.02357 1.00000
Pd4 Pd 0.12998 0.02357 0.71648 1.00000
Pd5 Pd 0.49187 0.75813 0.75813 1.00000
Pd6 Pd 0.50813 0.24187 0.24187 1.00000
Pd7 Pd 0.75000 0.50000 0.50000 1.00000
Pd8 Pd 0.25000 0.50000 0.50000 1.00000
Pd9 Pd 0.00813 0.24187 0.24187 1.00000
Pd10 Pd 0.99187 0.75813 0.75813 1.00000
