Dy8CuSe4S3
Alexandria ALEXAlex-ID: agm004719984 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Dy2SeS DyCu Dy6CuSe5
2023-02-05 11:49:21.653917
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004719984).
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
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# CIF generated by HEAS from Alexandria entry agm004719984
data_agm004719984
_cell_length_a 7.97578
_cell_length_b 8.07269
_cell_length_c 7.97603
_cell_angle_alpha 119.60843
_cell_angle_beta 119.99895
_cell_angle_gamma 90.00000
_cell_volume 365.27156
_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 0.24267 0.73180 0.98915 1.00000
Dy2 Dy 0.24266 0.73177 0.48531 1.00000
Dy3 Dy 0.25762 0.27281 0.51524 1.00000
Dy4 Dy 0.74648 0.73180 0.98915 1.00000
Dy5 Dy 0.25352 0.26820 0.01085 1.00000
Dy6 Dy 0.74238 0.72719 0.48476 1.00000
Dy7 Dy 0.75734 0.26823 0.51469 1.00000
Dy8 Dy 0.75733 0.26820 0.01085 1.00000
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
Se3 Se 0.00000 0.00000 0.00000 1.00000
Se4 Se 0.00000 0.00000 0.50000 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.50000 0.50000 0.50000 1.00000
S3 S 0.00000 0.50000 0.50000 1.00000
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