Sc2Pd5Au2
Alexandria ALEXAlex-ID: agm003314404 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_200_spg38
ScPd3Au2 ScAu4 Sc2Pd5Au
2022-01-22 00:40:58.933935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003314404).
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 agm003314404
data_agm003314404
_cell_length_a 4.58198
_cell_length_b 7.91669
_cell_length_c 9.63015
_cell_angle_alpha 114.26999
_cell_angle_beta 103.76249
_cell_angle_gamma 90.00000
_cell_volume 307.41659
_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
Sc1 Sc 0.09703 0.63477 0.19444 1.00000
Sc2 Sc 0.90297 0.44033 0.80556 1.00000
Sc3 Sc 0.59741 0.13477 0.19444 1.00000
Sc4 Sc 0.40259 0.94033 0.80556 1.00000
Pd1 Pd 0.41800 0.62197 0.83569 1.00000
Pd2 Pd 0.58200 0.78628 0.16431 1.00000
Pd3 Pd 0.91769 0.12197 0.83569 1.00000
Pd4 Pd 0.08231 0.28628 0.16431 1.00000
Pd5 Pd 0.16695 0.03772 0.33382 1.00000
Pd6 Pd 0.83305 0.70390 0.66618 1.00000
Pd7 Pd 0.66688 0.53772 0.33382 1.00000
Pd8 Pd 0.33312 0.20390 0.66618 1.00000
Pd9 Pd 0.25026 0.78697 0.50000 1.00000
Pd10 Pd 0.74974 0.28697 0.50000 1.00000
Au1 Au 0.00000 0.87035 0.00000 1.00000
Au2 Au 0.50000 0.37035 0.00000 1.00000
Au3 Au 0.24976 0.45372 0.50000 1.00000
Au4 Au 0.75024 0.95372 0.50000 1.00000
Get direct link