ScSiPd
Alexandria ALEXAlex-ID: agm069986015 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_33_spg12
ScSiPd
2025-04-16 18:03:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069986015).
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
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# CIF generated by HEAS from Alexandria entry agm069986015
data_agm069986015
_cell_length_a 5.29241
_cell_length_b 5.29241
_cell_length_c 6.57645
_cell_angle_alpha 54.80493
_cell_angle_beta 125.19507
_cell_angle_gamma 135.55803
_cell_volume 100.92952
_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 0.55822 0.44178 0.29894 1.00000
Sc2 Sc 0.44178 0.55822 0.70106 1.00000
Si1 Si 0.85264 0.14736 0.31283 1.00000
Si2 Si 0.14736 0.85264 0.68717 1.00000
Pd1 Pd 0.17747 0.82253 0.09838 1.00000
Pd2 Pd 0.82253 0.17747 0.90162 1.00000
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