Pr3Ga6Pd5
Alexandria ALEXAlex-ID: agm005709769 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_16_spg59
Pr2Ga5Pd3 PrGaPd2
2023-06-30 09:26:59.339559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709769).
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 agm005709769
data_agm005709769
_cell_length_a 4.39135
_cell_length_b 9.38369
_cell_length_c 13.15549
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 542.09900
_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 0.00000 0.24987 0.69586 1.00000
Pr2 Pr 0.50000 0.75013 0.19586 1.00000
Pr3 Pr 0.50000 0.75013 0.80414 1.00000
Pr4 Pr 0.00000 0.24886 0.00000 1.00000
Pr5 Pr 0.50000 0.75114 0.50000 1.00000
Pr6 Pr 0.00000 0.24987 0.30414 1.00000
Ga1 Ga 0.00000 0.97894 0.84842 1.00000
Ga2 Ga 0.50000 0.02106 0.65158 1.00000
Ga3 Ga 0.50000 0.40611 0.82156 1.00000
Ga4 Ga 0.50000 0.56997 0.00000 1.00000
Ga5 Ga 0.00000 0.43003 0.50000 1.00000
Ga6 Ga 0.00000 0.59389 0.67844 1.00000
Ga7 Ga 0.00000 0.59389 0.32156 1.00000
Ga8 Ga 0.50000 0.96169 0.00000 1.00000
Ga9 Ga 0.00000 0.97894 0.15158 1.00000
Ga10 Ga 0.50000 0.40611 0.17844 1.00000
Ga11 Ga 0.00000 0.03831 0.50000 1.00000
Ga12 Ga 0.50000 0.02106 0.34842 1.00000
Pd1 Pd 0.00000 0.53116 0.88560 1.00000
Pd2 Pd 0.00000 0.87279 0.65856 1.00000
Pd3 Pd 0.00000 0.79366 0.00000 1.00000
Pd4 Pd 0.50000 0.46884 0.61440 1.00000
Pd5 Pd 0.50000 0.20634 0.50000 1.00000
Pd6 Pd 0.00000 0.53116 0.11440 1.00000
Pd7 Pd 0.50000 0.46884 0.38560 1.00000
Pd8 Pd 0.00000 0.87279 0.34144 1.00000
Pd9 Pd 0.50000 0.12721 0.84144 1.00000
Pd10 Pd 0.50000 0.12721 0.15856 1.00000
