Dy(ScCu)2
Alexandria ALEXAlex-ID: agm005966495 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1487_spg63
Sc2Cu DyCu
2023-08-05 19:55:46.344061
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005966495).
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 agm005966495
data_agm005966495
_cell_length_a 3.33918
_cell_length_b 4.86123
_cell_length_c 12.51544
_cell_angle_alpha 90.00000
_cell_angle_beta 97.65443
_cell_angle_gamma 90.00000
_cell_volume 201.34678
_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
Dy1 Dy 0.85838 0.75000 0.71610 1.00000
Dy2 Dy 0.14162 0.25000 0.28390 1.00000
Sc1 Sc 0.04605 0.75000 0.09256 1.00000
Sc2 Sc 0.95395 0.25000 0.90744 1.00000
Sc3 Sc 0.23215 0.75000 0.46403 1.00000
Sc4 Sc 0.76785 0.25000 0.53597 1.00000
Cu1 Cu 0.64142 0.75000 0.28306 1.00000
Cu2 Cu 0.35858 0.25000 0.71694 1.00000
Cu3 Cu 0.45874 0.75000 0.91725 1.00000
Cu4 Cu 0.54126 0.25000 0.08275 1.00000
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