DyUS3
Alexandria ALEXAlex-ID: agm003708992 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5876_spg74
Dy2S3 U2S3
2022-04-18 00:35:11.181614
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003708992).
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 agm003708992
data_agm003708992
_cell_length_a 5.39255
_cell_length_b 8.39794
_cell_length_c 7.03988
_cell_angle_alpha 126.61639
_cell_angle_beta 112.51965
_cell_angle_gamma 90.00000
_cell_volume 224.88069
_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 0.00000 0.50000 0.00000 1.00000
Dy2 Dy 0.50000 0.00000 0.00000 1.00000
U1 U 0.25000 0.19159 0.50000 1.00000
U2 U 0.75000 0.80841 0.50000 1.00000
S1 S 0.04735 0.20894 0.09471 1.00000
S2 S 0.45265 0.61423 0.90529 1.00000
S3 S 0.54735 0.38577 0.09471 1.00000
S4 S 0.95265 0.79106 0.90529 1.00000
S5 S 0.25000 0.85597 0.50000 1.00000
S6 S 0.75000 0.14403 0.50000 1.00000
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