Dy6CuS5
Alexandria ALEXAlex-ID: agm006123772 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Dy6CuS5
2023-09-09 07:58:14.476241
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123772).
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 agm006123772
data_agm006123772
_cell_length_a 6.80639
_cell_length_b 6.80639
_cell_length_c 6.79533
_cell_angle_alpha 99.64977
_cell_angle_beta 99.64977
_cell_angle_gamma 120.02710
_cell_volume 256.76971
_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
S1 S 0.83052 0.16948 0.50000 1.00000
S2 S 0.66546 0.33454 0.00000 1.00000
S3 S 0.50000 0.50000 0.50000 1.00000
S4 S 0.33454 0.66546 0.00000 1.00000
S5 S 0.16948 0.83052 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.41570 0.08179 0.24836 1.00000
Dy2 Dy 0.91821 0.58430 0.75164 1.00000
Dy3 Dy 0.24945 0.24945 0.74985 1.00000
Dy4 Dy 0.75055 0.75055 0.25015 1.00000
Dy5 Dy 0.08179 0.41570 0.24836 1.00000
Dy6 Dy 0.58430 0.91821 0.75164 1.00000
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