Pr5Au2
Alexandria ALEXAlex-ID: agm003288494 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_160_spg15
Pr2Au Pr
2022-01-15 21:12:25.698707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003288494).
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 agm003288494
data_agm003288494
_cell_length_a 7.04018
_cell_length_b 7.27876
_cell_length_c 9.48301
_cell_angle_alpha 95.18874
_cell_angle_beta 111.78961
_cell_angle_gamma 90.00000
_cell_volume 449.08090
_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 0.20513 0.44692 0.18487 1.00000
Pr2 Pr 0.02026 0.05308 0.81513 1.00000
Pr3 Pr 0.21004 0.70622 0.55425 1.00000
Pr4 Pr 0.65579 0.79378 0.44575 1.00000
Pr5 Pr 0.78996 0.29378 0.44575 1.00000
Pr6 Pr 0.34421 0.20622 0.55425 1.00000
Pr7 Pr 0.97974 0.94692 0.18487 1.00000
Pr8 Pr 0.79487 0.55308 0.81513 1.00000
Pr9 Pr 0.55998 0.25000 0.00000 1.00000
Pr10 Pr 0.44002 0.75000 1.00000 1.00000
Au1 Au 0.18591 0.43418 0.77579 1.00000
Au2 Au 0.41011 0.06582 0.22421 1.00000
Au3 Au 0.81409 0.56582 0.22421 1.00000
Au4 Au 0.58989 0.93418 0.77579 1.00000
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