Sc2Cu4Pd3
Alexandria ALEXAlex-ID: agm005654311 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1067_spg12
Sc3Pd4 Sc2CuPd5 Cu
2023-06-28 03:37:37.642195
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654311).
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 agm005654311
data_agm005654311
_cell_length_a 3.87521
_cell_length_b 4.90309
_cell_length_c 8.09691
_cell_angle_alpha 74.69940
_cell_angle_beta 76.15468
_cell_angle_gamma 66.72281
_cell_volume 134.72152
_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 0.33349 0.10589 0.22713 1.00000
Sc2 Sc 0.66651 0.89411 0.77287 1.00000
Cu1 Cu 0.66830 0.55666 0.10673 1.00000
Cu2 Cu 0.99510 0.34306 0.66675 1.00000
Cu3 Cu 0.00490 0.65694 0.33325 1.00000
Cu4 Cu 0.33170 0.44334 0.89327 1.00000
Pd1 Pd 0.33774 0.76384 0.56068 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
Pd3 Pd 0.66226 0.23616 0.43932 1.00000
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