Sc5Ga3Si4Pd3
Alexandria ALEXAlex-ID: agm016595683 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4D5_1_spg59
Sc5Ga3Si4Pd3
2024-10-26 04:10:48.131918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016595683).
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 agm016595683
data_agm016595683
_cell_length_a 4.06182
_cell_length_b 6.62378
_cell_length_c 18.88040
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 507.96895
_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 0.00000 0.49007 0.62688 1.00000
Sc2 Sc 0.50000 0.01625 0.82428 1.00000
Sc3 Sc 0.00000 0.98375 0.67572 1.00000
Sc4 Sc 0.50000 0.14371 0.00000 1.00000
Sc5 Sc 0.00000 0.85629 0.50000 1.00000
Sc6 Sc 0.00000 0.98375 0.32428 1.00000
Sc7 Sc 0.50000 0.50993 0.87312 1.00000
Sc8 Sc 0.00000 0.49007 0.37312 1.00000
Sc9 Sc 0.50000 0.01625 0.17572 1.00000
Sc10 Sc 0.50000 0.50993 0.12688 1.00000
Ga1 Ga 0.50000 0.15572 0.57753 1.00000
Ga2 Ga 0.50000 0.15572 0.42247 1.00000
Ga3 Ga 0.00000 0.47041 0.00000 1.00000
Ga4 Ga 0.50000 0.52959 0.50000 1.00000
Ga5 Ga 0.00000 0.84428 0.92247 1.00000
Ga6 Ga 0.00000 0.84428 0.07753 1.00000
Si1 Si 0.50000 0.77576 0.60291 1.00000
Si2 Si 0.50000 0.26926 0.29465 1.00000
Si3 Si 0.00000 0.73074 0.20535 1.00000
Si4 Si 0.00000 0.22424 0.10291 1.00000
Si5 Si 0.00000 0.22424 0.89709 1.00000
Si6 Si 0.00000 0.73074 0.79465 1.00000
Si7 Si 0.50000 0.26926 0.70535 1.00000
Si8 Si 0.50000 0.77576 0.39709 1.00000
Pd1 Pd 0.00000 0.34896 0.77483 1.00000
Pd2 Pd 0.50000 0.65104 0.72517 1.00000
Pd3 Pd 0.50000 0.72371 0.00000 1.00000
Pd4 Pd 0.00000 0.34896 0.22517 1.00000
Pd5 Pd 0.00000 0.27629 0.50000 1.00000
Pd6 Pd 0.50000 0.65104 0.27483 1.00000
