PaRhAu4
Alexandria ALEXAlex-ID: agm005752990 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1911_spg12
PaAu4 PaRh2Au Au
2023-08-05 04:15:46.488103
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752990).
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 agm005752990
data_agm005752990
_cell_length_a 5.30854
_cell_length_b 5.30824
_cell_length_c 5.31164
_cell_angle_alpha 76.01958
_cell_angle_beta 76.02117
_cell_angle_gamma 118.21434
_cell_volume 116.38122
_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
Pa1 Pa 0.55288 0.05750 0.93599 1.00000
Rh1 Rh 0.99128 0.49579 0.52935 1.00000
Au1 Au 0.29220 0.14472 0.49393 1.00000
Au2 Au 0.64016 0.79676 0.49395 1.00000
Au3 Au 0.84644 0.67048 0.02728 1.00000
Au4 Au 0.16588 0.35102 0.02729 1.00000
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