Pr2Al3Pd
Alexandria ALEXAlex-ID: agm017333625 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_139_spg8
PrAlPd PrAl2
2025-04-13 14:56:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017333625).
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 agm017333625
data_agm017333625
_cell_length_a 5.78662
_cell_length_b 5.78662
_cell_length_c 7.61431
_cell_angle_alpha 50.96381
_cell_angle_beta 129.03619
_cell_angle_gamma 133.14817
_cell_volume 135.28005
_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 0.55313 0.44687 0.30081 1.00000
Pr2 Pr 0.43933 0.56067 0.68723 1.00000
Al1 Al 0.85070 0.14930 0.29517 1.00000
Al2 Al 0.82958 0.17042 0.89987 1.00000
Al3 Al 0.16367 0.83633 0.08856 1.00000
Pd1 Pd 0.16314 0.83686 0.72835 1.00000
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