Sc6GaPd2
Alexandria ALEXAlex-ID: agm005803941 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1783_spg71
Sc2Ga Sc2Pd
2023-07-09 09:19:26.303303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803941).
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 agm005803941
data_agm005803941
_cell_length_a 7.90467
_cell_length_b 7.90467
_cell_length_c 7.90467
_cell_angle_alpha 106.25815
_cell_angle_beta 111.28268
_cell_angle_gamma 110.92003
_cell_volume 379.32095
_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 0.53848 0.71992 0.81855 1.00000
Sc2 Sc 0.46152 0.28008 0.18145 1.00000
Sc3 Sc 0.09863 0.28008 0.81855 1.00000
Sc4 Sc 0.90137 0.71992 0.18145 1.00000
Sc5 Sc 0.80312 0.75875 0.56187 1.00000
Sc6 Sc 0.19688 0.24125 0.43813 1.00000
Sc7 Sc 0.19688 0.75875 0.95563 1.00000
Sc8 Sc 0.80312 0.24125 0.04437 1.00000
Sc9 Sc 0.71396 0.38510 0.67113 1.00000
Sc10 Sc 0.28604 0.61490 0.32887 1.00000
Sc11 Sc 0.28604 0.95717 0.67113 1.00000
Sc12 Sc 0.71396 0.04283 0.32887 1.00000
Ga1 Ga 0.00000 0.50000 0.50000 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.35921 0.85921 1.00000
Pd2 Pd 0.50000 0.64079 0.14079 1.00000
Pd3 Pd 0.65716 0.00000 0.65716 1.00000
Pd4 Pd 0.34284 1.00000 0.34284 1.00000
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