Dy3In(AgS2)4
Alexandria ALEXAlex-ID: agm004726537 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_62_spg166
DyAgS2 InAgS2
2023-02-05 13:45:13.996491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004726537).
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 agm004726537
data_agm004726537
_cell_length_a 8.09328
_cell_length_b 11.93524
_cell_length_c 8.11007
_cell_angle_alpha 132.23227
_cell_angle_beta 119.93154
_cell_angle_gamma 90.00000
_cell_volume 428.55642
_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
Dy2 Dy 0.50000 0.50000 0.50000 1.00000
Dy3 Dy 0.00000 0.50000 0.50000 1.00000
In1 In 0.00000 0.50000 0.00000 1.00000
Ag1 Ag 0.50000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.00000 0.50000 1.00000
Ag3 Ag 0.00000 0.00000 0.00000 1.00000
Ag4 Ag 0.00000 0.00000 0.50000 1.00000
S1 S 0.28478 0.68642 0.08253 1.00000
S2 S 0.28548 0.68664 0.57097 1.00000
S3 S 0.21056 0.31301 0.42112 1.00000
S4 S 0.79775 0.68642 0.08253 1.00000
S5 S 0.20225 0.31358 0.91747 1.00000
S6 S 0.78944 0.68699 0.57888 1.00000
S7 S 0.71452 0.31336 0.42903 1.00000
S8 S 0.71522 0.31358 0.91747 1.00000
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