Pr6Pd2Au
Alexandria ALEXAlex-ID: agm005805620 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1464_spg71
Pr7Pd3 Pr2Au Pr2PdAu
2023-07-09 04:11:40.452321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805620).
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 agm005805620
data_agm005805620
_cell_length_a 8.81477
_cell_length_b 8.81477
_cell_length_c 8.81477
_cell_angle_alpha 106.39327
_cell_angle_beta 109.14039
_cell_angle_gamma 112.94748
_cell_volume 525.49518
_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 0.54240 0.71851 0.82388 1.00000
Pr2 Pr 0.45760 0.28149 0.17612 1.00000
Pr3 Pr 0.10537 0.28149 0.82388 1.00000
Pr4 Pr 0.89463 0.71851 0.17612 1.00000
Pr5 Pr 0.81033 0.76062 0.57095 1.00000
Pr6 Pr 0.18967 0.23938 0.42905 1.00000
Pr7 Pr 0.18967 0.76062 0.95029 1.00000
Pr8 Pr 0.81033 0.23938 0.04970 1.00000
Pr9 Pr 0.70186 0.37141 0.66955 1.00000
Pr10 Pr 0.29814 0.62859 0.33045 1.00000
Pr11 Pr 0.29814 0.96769 0.66955 1.00000
Pr12 Pr 0.70186 0.03232 0.33045 1.00000
Pd1 Pd 0.50000 0.36886 0.86886 1.00000
Pd2 Pd 0.50000 0.63114 0.13114 1.00000
Pd3 Pd 0.65035 1.00000 0.65035 1.00000
Pd4 Pd 0.34965 0.00000 0.34965 1.00000
Au1 Au 1.00000 0.50000 0.50000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
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