Pr5Rh2Au5
Alexandria ALEXAlex-ID: agm005667014 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_26_spg12
Pr3Rh2Au3 PrAu
2023-06-19 06:13:30.844835
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667014).
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 agm005667014
data_agm005667014
_cell_length_a 4.15306
_cell_length_b 8.67100
_cell_length_c 8.84831
_cell_angle_alpha 89.23739
_cell_angle_beta 76.42719
_cell_angle_gamma 76.14418
_cell_volume 300.41545
_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 0.50000 0.50000 1.00000
Pr2 Pr 0.70212 0.68594 0.90981 1.00000
Pr3 Pr 0.37785 0.93236 0.31194 1.00000
Pr4 Pr 0.62215 0.06764 0.68806 1.00000
Pr5 Pr 0.29788 0.31406 0.09019 1.00000
Rh1 Rh 0.37806 0.49445 0.74943 1.00000
Rh2 Rh 0.62194 0.50555 0.25057 1.00000
Au1 Au 0.71573 0.20454 0.36399 1.00000
Au2 Au 0.93925 0.29885 0.82266 1.00000
Au3 Au 0.06075 0.70115 0.17734 1.00000
Au4 Au 0.28427 0.79546 0.63601 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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