Sc6Al2Zn3Pd
Alexandria ALEXAlex-ID: agm047849992 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_407_spg2
Sc4Zn3Pd Sc2AlZn Sc11Al9Pd4 Sc2Pd
2025-03-09 10:16:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047849992).
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 agm047849992
data_agm047849992
_cell_length_a 7.52855
_cell_length_b 7.52855
_cell_length_c 8.23180
_cell_angle_alpha 56.53559
_cell_angle_beta 123.46441
_cell_angle_gamma 143.32417
_cell_volume 226.83212
_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 0.58330 0.41670 0.91589 1.00000
Sc2 Sc 0.75031 0.24969 0.75844 1.00000
Sc3 Sc 0.41670 0.58330 0.08411 1.00000
Sc4 Sc 0.92158 0.07842 0.58918 1.00000
Sc5 Sc 0.24969 0.75031 0.24156 1.00000
Sc6 Sc 0.07842 0.92158 0.41082 1.00000
Al1 Al 0.66976 0.33024 0.33866 1.00000
Al2 Al 0.33024 0.66976 0.66134 1.00000
Zn1 Zn 0.83379 0.16621 0.17261 1.00000
Zn2 Zn 0.16621 0.83379 0.82739 1.00000
Zn3 Zn 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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