DyY2S3
Alexandria ALEXAlex-ID: agm034453944 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Dy4YS5 DyY4S5
2025-03-07 19:27:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034453944).
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 agm034453944
data_agm034453944
_cell_length_a 12.94049
_cell_length_b 12.33259
_cell_length_c 6.79223
_cell_angle_alpha 79.41627
_cell_angle_beta 69.52260
_cell_angle_gamma 31.06113
_cell_volume 508.62270
_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 0.91674 0.91674 0.08326 1.00000
Dy2 Dy 0.33326 0.33326 0.16674 1.00000
Dy3 Dy 0.16674 0.16674 0.33326 1.00000
Dy4 Dy 0.08326 0.08326 0.91674 1.00000
Y1 Y 0.99989 0.99989 0.50011 1.00000
Y2 Y 0.41688 0.41688 0.58312 1.00000
Y3 Y 0.83312 0.83312 0.66688 1.00000
Y4 Y 0.25011 0.25011 0.74989 1.00000
Y5 Y 0.74989 0.74989 0.25011 1.00000
Y6 Y 0.66688 0.66688 0.83312 1.00000
Y7 Y 0.58312 0.58312 0.41688 1.00000
Y8 Y 0.50011 0.50011 0.99989 1.00000
S1 S 0.66645 0.16652 0.83436 1.00000
S2 S 0.16652 0.66645 0.33267 1.00000
S3 S 0.58355 0.08348 0.41564 1.00000
S4 S 0.08348 0.58355 0.91733 1.00000
S5 S 0.49906 0.00094 0.00094 1.00000
S6 S 0.00094 0.49906 0.49906 1.00000
S7 S 0.91733 0.41564 0.08348 1.00000
S8 S 0.41564 0.91733 0.58355 1.00000
S9 S 0.33267 0.83436 0.16652 1.00000
S10 S 0.83436 0.33267 0.66645 1.00000
S11 S 0.75094 0.24906 0.24906 1.00000
S12 S 0.24906 0.75094 0.75094 1.00000
