Dy8SiSe3S4
Alexandria ALEXAlex-ID: agm004716619 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Dy2SeS Dy4SiSe3 Dy4SiS3
2022-07-14 08:31:48.066718
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004716619).
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 agm004716619
data_agm004716619
_cell_length_a 8.00691
_cell_length_b 8.00631
_cell_length_c 8.00648
_cell_angle_alpha 119.99581
_cell_angle_beta 120.00177
_cell_angle_gamma 90.00000
_cell_volume 362.94402
_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 0.24717 0.76041 0.01324 1.00000
Dy2 Dy 0.24715 0.76039 0.49430 1.00000
Dy3 Dy 0.24184 0.22558 0.48368 1.00000
Dy4 Dy 0.76607 0.76041 0.01324 1.00000
Dy5 Dy 0.23393 0.23959 0.98676 1.00000
Dy6 Dy 0.75816 0.77442 0.51632 1.00000
Dy7 Dy 0.75285 0.23961 0.50570 1.00000
Dy8 Dy 0.75283 0.23959 0.98676 1.00000
Si1 Si 0.00000 0.50000 0.00000 1.00000
Se1 Se 0.50000 0.50000 0.00000 1.00000
Se2 Se 0.50000 0.50000 0.50000 1.00000
Se3 Se 0.00000 0.50000 0.50000 1.00000
S1 S 0.50000 0.00000 0.00000 1.00000
S2 S 0.50000 0.00000 0.50000 1.00000
S3 S 0.00000 0.00000 0.00000 1.00000
S4 S 0.00000 0.00000 0.50000 1.00000
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