Sc2UPd9
Alexandria ALEXAlex-ID: agm044997194 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_356_spg160
Sc2UPd9
2025-01-03 10:27:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044997194).
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 agm044997194
data_agm044997194
_cell_length_a 7.75872
_cell_length_b 7.75872
_cell_length_c 7.75872
_cell_angle_alpha 43.19193
_cell_angle_beta 43.19193
_cell_angle_gamma 43.19193
_cell_volume 198.39809
_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 0.77776 0.77776 0.77776 1.00000
Sc2 Sc 0.00045 0.00045 0.00045 1.00000
U1 U 0.22024 0.22024 0.22024 1.00000
Pd1 Pd 0.49885 0.49885 0.00080 1.00000
Pd2 Pd 0.00080 0.49885 0.49885 1.00000
Pd3 Pd 0.49885 0.00080 0.49885 1.00000
Pd4 Pd 0.27952 0.77271 0.27952 1.00000
Pd5 Pd 0.27952 0.27952 0.77271 1.00000
Pd6 Pd 0.77271 0.27952 0.27952 1.00000
Pd7 Pd 0.71986 0.22605 0.71986 1.00000
Pd8 Pd 0.71986 0.71986 0.22605 1.00000
Pd9 Pd 0.22605 0.71986 0.71986 1.00000
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