Sc3Ga3CuPd2
Alexandria ALEXAlex-ID: agm041267167 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
ScGaPd ScGaCu
2025-01-21 22:30:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041267167).
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 agm041267167
data_agm041267167
_cell_length_a 6.35278
_cell_length_b 4.34834
_cell_length_c 22.63749
_cell_angle_alpha 90.00000
_cell_angle_beta 90.01772
_cell_angle_gamma 90.00000
_cell_volume 625.33969
_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 0.50429 0.00000 0.92469 1.00000
Sc2 Sc 0.50618 0.00000 0.59399 1.00000
Sc3 Sc 0.50476 0.00000 0.25952 1.00000
Sc4 Sc 0.00375 0.00000 0.90621 1.00000
Sc5 Sc 0.00621 0.00000 0.57454 1.00000
Sc6 Sc 0.00477 0.00000 0.23981 1.00000
Sc7 Sc 0.49316 0.50000 0.73994 1.00000
Sc8 Sc 0.49011 0.50000 0.40707 1.00000
Sc9 Sc 0.48990 0.50000 0.07257 1.00000
Sc10 Sc 0.99251 0.50000 0.76015 1.00000
Sc11 Sc 0.99349 0.50000 0.42808 1.00000
Sc12 Sc 0.99295 0.50000 0.09326 1.00000
Ga1 Ga 0.70999 0.00000 0.80265 1.00000
Ga2 Ga 0.70703 0.00000 0.47062 1.00000
Ga3 Ga 0.70579 0.00000 0.13658 1.00000
Ga4 Ga 0.20958 0.00000 0.69782 1.00000
Ga5 Ga 0.20428 0.00000 0.36159 1.00000
Ga6 Ga 0.20513 0.00000 0.02659 1.00000
Ga7 Ga 0.29043 0.50000 0.85774 1.00000
Ga8 Ga 0.29427 0.50000 0.52911 1.00000
Ga9 Ga 0.29467 0.50000 0.19391 1.00000
Ga10 Ga 0.78890 0.50000 0.97409 1.00000
Ga11 Ga 0.79025 0.50000 0.64152 1.00000
Ga12 Ga 0.78961 0.50000 0.30832 1.00000
Cu1 Cu 0.78336 0.00000 0.69503 1.00000
Cu2 Cu 0.77447 0.00000 0.36213 1.00000
Cu3 Cu 0.77322 0.00000 0.02809 1.00000
Cu4 Cu 0.28350 0.00000 0.80495 1.00000
Pd1 Pd 0.27204 0.00000 0.47203 1.00000
Pd2 Pd 0.27047 0.00000 0.13697 1.00000
Pd3 Pd 0.22736 0.50000 0.96890 1.00000
Pd4 Pd 0.22671 0.50000 0.63990 1.00000
Pd5 Pd 0.22614 0.50000 0.30433 1.00000
Pd6 Pd 0.72927 0.50000 0.86170 1.00000
Pd7 Pd 0.73027 0.50000 0.52970 1.00000
Pd8 Pd 0.73119 0.50000 0.19591 1.00000
