Sc5Ga5Pd2
Alexandria ALEXAlex-ID: agm005652005 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_123_spg71
Sc11Ga9Pd4 Sc3Ga5Pd ScGaPd
2023-06-19 08:26:53.449426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652005).
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 agm005652005
data_agm005652005
_cell_length_a 4.33872
_cell_length_b 7.64812
_cell_length_c 7.64777
_cell_angle_alpha 100.25067
_cell_angle_beta 73.52128
_cell_angle_gamma 73.52204
_cell_volume 223.95361
_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 0.50000 0.50000 1.00000
Sc2 Sc 0.69432 0.66114 0.95021 1.00000
Sc3 Sc 0.30648 0.04802 0.33901 1.00000
Sc4 Sc 0.69352 0.95198 0.66099 1.00000
Sc5 Sc 0.30568 0.33886 0.04979 1.00000
Ga1 Ga 0.70760 0.29122 0.29357 1.00000
Ga2 Ga 0.00021 0.22846 0.77113 1.00000
Ga3 Ga 0.99979 0.77154 0.22887 1.00000
Ga4 Ga 0.29240 0.70878 0.70643 1.00000
Ga5 Ga 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.49792 0.34215 0.66201 1.00000
Pd2 Pd 0.50208 0.65785 0.33799 1.00000
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