Dy2Ga3Cu12Ni
Alexandria ALEXAlex-ID: agm004499862 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_97_spg166
DyGa2Ni DyGaCu Cu
2022-06-20 19:55:22.932387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004499862).
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 agm004499862
data_agm004499862
_cell_length_a 12.24478
_cell_length_b 12.24478
_cell_length_c 12.24478
_cell_angle_alpha 24.58601
_cell_angle_beta 24.58601
_cell_angle_gamma 24.58601
_cell_volume 279.44894
_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 0.64464 0.64464 0.64464 1.00000
Dy2 Dy 0.35536 0.35536 0.35536 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.00000 1.00000
Ga3 Ga 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.39714 0.39714 0.87754 1.00000
Cu2 Cu 0.88917 0.88917 0.38671 1.00000
Cu3 Cu 0.38671 0.88917 0.88917 1.00000
Cu4 Cu 0.87754 0.39714 0.39714 1.00000
Cu5 Cu 0.88917 0.38671 0.88917 1.00000
Cu6 Cu 0.39714 0.87754 0.39714 1.00000
Cu7 Cu 0.60286 0.60286 0.12246 1.00000
Cu8 Cu 0.11083 0.11083 0.61329 1.00000
Cu9 Cu 0.61329 0.11083 0.11083 1.00000
Cu10 Cu 0.12246 0.60286 0.60286 1.00000
Cu11 Cu 0.11083 0.61329 0.11083 1.00000
Cu12 Cu 0.60286 0.12246 0.60286 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
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