Dy(CuS)3
Alexandria ALEXAlex-ID: agm003215744 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_11_spg148
Cu3S2 DyCuS2 Cu
2021-12-05 21:45:52.884744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003215744).
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 agm003215744
data_agm003215744
_cell_length_a 7.44921
_cell_length_b 7.44921
_cell_length_c 7.44922
_cell_angle_alpha 53.42796
_cell_angle_beta 53.42796
_cell_angle_gamma 53.42797
_cell_volume 247.33161
_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 0.83359 0.83359 0.83359 1.00000
Dy2 Dy 0.16641 0.16641 0.16641 1.00000
Cu1 Cu 0.96405 0.62290 0.28190 1.00000
Cu2 Cu 0.28190 0.96405 0.62290 1.00000
Cu3 Cu 0.62290 0.28190 0.96405 1.00000
Cu4 Cu 0.37710 0.71810 0.03595 1.00000
Cu5 Cu 0.71810 0.03595 0.37710 1.00000
Cu6 Cu 0.03595 0.37710 0.71810 1.00000
S1 S 0.74745 0.41725 0.08425 1.00000
S2 S 0.41725 0.08425 0.74745 1.00000
S3 S 0.08425 0.74745 0.41725 1.00000
S4 S 0.91575 0.25255 0.58275 1.00000
S5 S 0.58275 0.91575 0.25255 1.00000
S6 S 0.25255 0.58275 0.91575 1.00000
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