DyY2(AgS2)3
Alexandria ALEXAlex-ID: agm045459726 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
YAgS2 DyAgS2
2024-10-28 17:37:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045459726).
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 agm045459726
data_agm045459726
_cell_length_a 8.02454
_cell_length_b 8.02454
_cell_length_c 9.62977
_cell_angle_alpha 74.32042
_cell_angle_beta 105.67958
_cell_angle_gamma 150.78672
_cell_volume 290.60102
_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 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.83501 0.16499 0.66522 1.00000
Y2 Y 0.16499 0.83501 0.33478 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.82400 0.17600 0.06313 1.00000
Ag3 Ag 0.17600 0.82400 0.93687 1.00000
S1 S 0.31765 0.68235 0.85668 1.00000
S2 S 0.65683 0.34317 0.52013 1.00000
S3 S 0.68235 0.31765 0.14332 1.00000
S4 S 0.98838 0.01162 0.18911 1.00000
S5 S 0.01162 0.98838 0.81089 1.00000
S6 S 0.34317 0.65683 0.47987 1.00000
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