Sc4Al(Si2Pd)2
Alexandria ALEXAlex-ID: agm020121962 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D4_13_spg12
Sc3Si3Pd ScSi AlPd
2024-12-30 20:59:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020121962).
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 agm020121962
data_agm020121962
_cell_length_a 7.66136
_cell_length_b 7.66136
_cell_length_c 6.62890
_cell_angle_alpha 73.60948
_cell_angle_beta 106.39052
_cell_angle_gamma 149.68676
_cell_volume 187.80578
_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 0.65593 0.34407 0.41876 1.00000
Sc2 Sc 0.34407 0.65593 0.58124 1.00000
Sc3 Sc 0.57909 0.42091 0.86928 1.00000
Sc4 Sc 0.42091 0.57909 0.13072 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Si1 Si 0.93935 0.06065 0.83780 1.00000
Si2 Si 0.06065 0.93935 0.16220 1.00000
Si3 Si 0.81739 0.18261 0.27287 1.00000
Si4 Si 0.18261 0.81739 0.72713 1.00000
Pd1 Pd 0.77940 0.22060 0.86844 1.00000
Pd2 Pd 0.22060 0.77940 0.13156 1.00000
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