Pr2Pd7
Alexandria ALEXAlex-ID: agm003289028 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_12_spg166
PrPd5 PrPd3
2022-01-16 11:31:37.630581
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003289028).
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 agm003289028
data_agm003289028
_cell_length_a 5.42213
_cell_length_b 5.42213
_cell_length_c 13.96563
_cell_angle_alpha 78.80644
_cell_angle_beta 78.80644
_cell_angle_gamma 60.00000
_cell_volume 346.52664
_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 0.04907 0.04907 0.85279 1.00000
Pr2 Pr 0.95093 0.95093 0.14721 1.00000
Pr3 Pr 0.14648 0.14648 0.56056 1.00000
Pr4 Pr 0.85352 0.85352 0.43944 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.27730 0.27730 0.16808 1.00000
Pd3 Pd 0.72270 0.72270 0.83192 1.00000
Pd4 Pd 0.38922 0.38922 0.83234 1.00000
Pd5 Pd 0.61078 0.61078 0.16766 1.00000
Pd6 Pd 0.50000 0.00000 0.00000 1.00000
Pd7 Pd 0.00000 0.50000 0.00000 1.00000
Pd8 Pd 0.50000 0.50000 0.00000 1.00000
Pd9 Pd 0.61303 0.61303 0.66465 1.00000
Pd10 Pd 0.61303 0.10929 0.66465 1.00000
Pd11 Pd 0.10929 0.61303 0.66465 1.00000
Pd12 Pd 0.38697 0.38697 0.33535 1.00000
Pd13 Pd 0.38697 0.89071 0.33535 1.00000
Pd14 Pd 0.89071 0.38697 0.33535 1.00000
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