Pr2CdPd
Alexandria ALEXAlex-ID: agm069992166 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8889_spg63
Pr11Cd9Pd4 Pr4CdPd PrPd
2025-07-01 08:14:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069992166).
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
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# CIF generated by HEAS from Alexandria entry agm069992166
data_agm069992166
_cell_length_a 7.69783
_cell_length_b 7.69783
_cell_length_c 7.80953
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 150.58454
_cell_volume 227.28231
_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 0.13549 0.86451 0.99782 1.00000
Pr2 Pr 0.86451 0.13549 0.49782 1.00000
Pr3 Pr 0.13549 0.86451 0.50218 1.00000
Pr4 Pr 0.86451 0.13549 0.00218 1.00000
Cd1 Cd 0.50495 0.49505 0.25000 1.00000
Cd2 Cd 0.49505 0.50495 0.75000 1.00000
Pd1 Pd 0.70831 0.29169 0.25000 1.00000
Pd2 Pd 0.29169 0.70831 0.75000 1.00000
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