Pr5Ni2Au5
Alexandria ALEXAlex-ID: agm005666364 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
PrNi2Au PrAu
2023-06-19 04:25:33.107062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666364).
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 agm005666364
data_agm005666364
_cell_length_a 4.09395
_cell_length_b 8.51553
_cell_length_c 8.90739
_cell_angle_alpha 88.53289
_cell_angle_beta 76.71434
_cell_angle_gamma 76.09094
_cell_volume 293.21407
_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 0.69887 0.69484 0.90741 1.00000
Pr3 Pr 0.38122 0.92294 0.31463 1.00000
Pr4 Pr 0.61878 0.07706 0.68537 1.00000
Pr5 Pr 0.30113 0.30516 0.09259 1.00000
Ni1 Ni 0.37848 0.48944 0.75360 1.00000
Ni2 Ni 0.62152 0.51056 0.24640 1.00000
Au1 Au 0.71320 0.21467 0.35892 1.00000
Au2 Au 0.93075 0.31391 0.82459 1.00000
Au3 Au 0.06925 0.68609 0.17541 1.00000
Au4 Au 0.28680 0.78533 0.64108 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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