CaDy2Cu3
Alexandria ALEXAlex-ID: agm017863565 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4717_spg14
Ca2Cu DyCu2 DyCu
2025-04-13 14:42:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017863565).
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 agm017863565
data_agm017863565
_cell_length_a 5.95637
_cell_length_b 5.96049
_cell_length_c 15.26720
_cell_angle_alpha 93.72690
_cell_angle_beta 94.14628
_cell_angle_gamma 106.00696
_cell_volume 517.60724
_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
Ca1 Ca 0.77345 0.52052 0.07790 1.00000
Ca2 Ca 0.36125 0.09810 0.41678 1.00000
Ca3 Ca 0.63875 0.90190 0.58322 1.00000
Ca4 Ca 0.22655 0.47948 0.92210 1.00000
Dy1 Dy 0.93682 0.68203 0.74156 1.00000
Dy2 Dy 0.42503 0.18610 0.74079 1.00000
Dy3 Dy 0.85249 0.60659 0.41893 1.00000
Dy4 Dy 0.27421 0.02392 0.08258 1.00000
Dy5 Dy 0.72579 0.97608 0.91742 1.00000
Dy6 Dy 0.14751 0.39341 0.58107 1.00000
Dy7 Dy 0.57497 0.81390 0.25921 1.00000
Dy8 Dy 0.06318 0.31797 0.25844 1.00000
Cu1 Cu 0.65849 0.41261 0.58057 1.00000
Cu2 Cu 0.21936 0.97277 0.88688 1.00000
Cu3 Cu 0.71282 0.46386 0.88033 1.00000
Cu4 Cu 0.12572 0.88079 0.57980 1.00000
Cu5 Cu 0.55626 0.30604 0.24021 1.00000
Cu6 Cu 0.07128 0.81682 0.23952 1.00000
Cu7 Cu 0.92872 0.18318 0.76048 1.00000
Cu8 Cu 0.44374 0.69396 0.75979 1.00000
Cu9 Cu 0.87428 0.11921 0.42020 1.00000
Cu10 Cu 0.28718 0.53614 0.11967 1.00000
Cu11 Cu 0.78064 0.02723 0.11312 1.00000
Cu12 Cu 0.34151 0.58739 0.41943 1.00000
