CaDy2Au3
Alexandria ALEXAlex-ID: agm033229832 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4629_spg15
DyAu CaAu
2025-04-15 04:36:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033229832).
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 agm033229832
data_agm033229832
_cell_length_a 8.09107
_cell_length_b 8.09107
_cell_length_c 8.82316
_cell_angle_alpha 89.89084
_cell_angle_beta 90.10916
_cell_angle_gamma 101.66857
_cell_volume 565.67325
_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 0.79688 0.95981 0.41154 1.00000
Ca2 Ca 0.20312 0.04019 0.58846 1.00000
Ca3 Ca 0.04019 0.20312 0.91154 1.00000
Ca4 Ca 0.95981 0.79688 0.08846 1.00000
Dy1 Dy 0.87707 0.37622 0.23997 1.00000
Dy2 Dy 0.28990 0.45307 0.42221 1.00000
Dy3 Dy 0.71010 0.54693 0.57779 1.00000
Dy4 Dy 0.12293 0.62378 0.76003 1.00000
Dy5 Dy 0.62378 0.12293 0.73997 1.00000
Dy6 Dy 0.54693 0.71010 0.92221 1.00000
Dy7 Dy 0.45307 0.28990 0.07779 1.00000
Dy8 Dy 0.37622 0.87707 0.26003 1.00000
Au1 Au 0.55017 0.21994 0.40816 1.00000
Au2 Au 0.05140 0.68889 0.42362 1.00000
Au3 Au 0.44983 0.78006 0.59184 1.00000
Au4 Au 0.94860 0.31111 0.57638 1.00000
Au5 Au 0.39070 0.39070 0.75000 1.00000
Au6 Au 0.86162 0.86162 0.75000 1.00000
Au7 Au 0.78006 0.44983 0.90816 1.00000
Au8 Au 0.31111 0.94860 0.92362 1.00000
Au9 Au 0.21994 0.55017 0.09184 1.00000
Au10 Au 0.68889 0.05140 0.07638 1.00000
Au11 Au 0.60930 0.60930 0.25000 1.00000
Au12 Au 0.13838 0.13838 0.25000 1.00000
