Pr2CdPd5
Alexandria ALEXAlex-ID: agm003469652 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_413_spg107
Pr4CdPd12 Pr6Cd4Pd13
2022-02-22 18:39:10.821789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469652).
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 agm003469652
data_agm003469652
_cell_length_a 5.96669
_cell_length_b 5.96669
_cell_length_c 5.96669
_cell_angle_alpha 100.00655
_cell_angle_beta 114.40096
_cell_angle_gamma 114.40096
_cell_volume 160.25701
_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 0.50000 0.26326 0.76326 1.00000
Pr2 Pr 0.50000 0.76326 0.26326 1.00000
Cd1 Cd 0.00000 0.86533 0.86533 1.00000
Pd1 Pd 0.43652 0.73963 0.73963 1.00000
Pd2 Pd 0.00000 0.73963 0.30311 1.00000
Pd3 Pd 0.00000 0.30311 0.73963 1.00000
Pd4 Pd 0.56348 0.30311 0.30311 1.00000
Pd5 Pd 1.00000 0.24472 0.24472 1.00000
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