Pr8Pd3Rh4Au
Alexandria ALEXAlex-ID: agm047276792 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
Pr2RhAu Pr2PdRh
2024-11-08 19:36:11.062343
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047276792).
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 agm047276792
data_agm047276792
_cell_length_a 7.39959
_cell_length_b 7.39959
_cell_length_c 7.91948
_cell_angle_alpha 74.23986
_cell_angle_beta 74.23986
_cell_angle_gamma 74.95305
_cell_volume 393.46570
_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 0.08044 0.08044 0.23434 1.00000
Pr2 Pr 0.55296 0.05737 0.87732 1.00000
Pr3 Pr 0.54654 0.05706 0.36357 1.00000
Pr4 Pr 0.58275 0.58275 0.23647 1.00000
Pr5 Pr 0.07808 0.07808 0.73077 1.00000
Pr6 Pr 0.05737 0.55296 0.87732 1.00000
Pr7 Pr 0.05706 0.54654 0.36357 1.00000
Pr8 Pr 0.57450 0.57450 0.72877 1.00000
Pd1 Pd 0.35669 0.35669 0.59512 1.00000
Pd2 Pd 0.77707 0.27848 0.00794 1.00000
Pd3 Pd 0.27848 0.77707 0.00794 1.00000
Rh1 Rh 0.35370 0.35370 0.09126 1.00000
Rh2 Rh 0.78075 0.27930 0.50961 1.00000
Rh3 Rh 0.85390 0.85390 0.09379 1.00000
Rh4 Rh 0.27930 0.78075 0.50961 1.00000
Au1 Au 0.85596 0.85596 0.59257 1.00000
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