Sc3Al3PdPt2
Alexandria ALEXAlex-ID: agm040404376 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
Sc3Al3PdPt2
2025-01-17 16:21:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040404376).
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 agm040404376
data_agm040404376
_cell_length_a 6.45856
_cell_length_b 4.34349
_cell_length_c 22.72451
_cell_angle_alpha 90.00000
_cell_angle_beta 90.51605
_cell_angle_gamma 90.00000
_cell_volume 637.45845
_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 0.52316 0.00000 0.93763 1.00000
Sc2 Sc 0.52516 0.00000 0.60448 1.00000
Sc3 Sc 0.52411 0.00000 0.27105 1.00000
Sc4 Sc 0.02343 0.00000 0.89579 1.00000
Sc5 Sc 0.02586 0.00000 0.56134 1.00000
Sc6 Sc 0.02476 0.00000 0.22833 1.00000
Sc7 Sc 0.47238 0.50000 0.72852 1.00000
Sc8 Sc 0.47178 0.50000 0.39564 1.00000
Sc9 Sc 0.46997 0.50000 0.06228 1.00000
Sc10 Sc 0.97286 0.50000 0.77141 1.00000
Sc11 Sc 0.97672 0.50000 0.43843 1.00000
Sc12 Sc 0.97502 0.50000 0.10526 1.00000
Al1 Al 0.65466 0.00000 0.81266 1.00000
Al2 Al 0.65465 0.00000 0.47917 1.00000
Al3 Al 0.65323 0.00000 0.14586 1.00000
Al4 Al 0.15482 0.00000 0.68707 1.00000
Al5 Al 0.15550 0.00000 0.35403 1.00000
Al6 Al 0.15437 0.00000 0.02090 1.00000
Al7 Al 0.34631 0.50000 0.85467 1.00000
Al8 Al 0.34653 0.50000 0.52128 1.00000
Al9 Al 0.34526 0.50000 0.18799 1.00000
Al10 Al 0.84426 0.50000 0.97911 1.00000
Al11 Al 0.84622 0.50000 0.64541 1.00000
Al12 Al 0.84588 0.50000 0.31230 1.00000
Pd1 Pd 0.76401 0.00000 0.70493 1.00000
Pd2 Pd 0.76379 0.00000 0.37125 1.00000
Pd3 Pd 0.76244 0.00000 0.03794 1.00000
Pd4 Pd 0.26281 0.00000 0.79541 1.00000
Pt1 Pt 0.26298 0.00000 0.46207 1.00000
Pt2 Pt 0.26127 0.00000 0.12881 1.00000
Pt3 Pt 0.23765 0.50000 0.96232 1.00000
Pt4 Pt 0.23937 0.50000 0.62899 1.00000
Pt5 Pt 0.23871 0.50000 0.29570 1.00000
Pt6 Pt 0.74117 0.50000 0.87056 1.00000
Pt7 Pt 0.74014 0.50000 0.53732 1.00000
Pt8 Pt 0.73877 0.50000 0.20410 1.00000
