Sc4Pd5Au
Alexandria ALEXAlex-ID: agm006129129 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_203_spg12
Sc3Pd4 ScPd2 ScAu2
2023-10-18 00:25:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129129).
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 agm006129129
data_agm006129129
_cell_length_a 4.55115
_cell_length_b 5.62317
_cell_length_c 7.74176
_cell_angle_alpha 109.61732
_cell_angle_beta 107.09361
_cell_angle_gamma 89.99989
_cell_volume 177.30745
_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 0.69859 0.29035 0.39719 1.00000
Sc2 Sc 0.08994 0.82383 0.17987 1.00000
Sc3 Sc 0.30141 0.70965 0.60281 1.00000
Sc4 Sc 0.91006 0.17617 0.82013 1.00000
Pd1 Pd 0.28901 0.19259 0.57803 1.00000
Pd2 Pd 0.11106 0.35504 0.22212 1.00000
Pd3 Pd 0.88894 0.64496 0.77788 1.00000
Pd4 Pd 0.50000 0.50000 0.00000 1.00000
Pd5 Pd 0.71099 0.80741 0.42197 1.00000
Au1 Au 0.50000 0.00000 0.00000 1.00000
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