Tb2Dy3YS6
Alexandria ALEXAlex-ID: agm027802422 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Tb2DyS3 DyY4S5 Dy4YS5
2025-01-22 01:37:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027802422).
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 agm027802422
data_agm027802422
_cell_length_a 8.74597
_cell_length_b 8.74597
_cell_length_c 7.83211
_cell_angle_alpha 77.05676
_cell_angle_beta 102.94324
_cell_angle_gamma 154.13056
_cell_volume 254.40116
_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
Tb1 Tb 0.16690 0.83310 0.33367 1.00000
Tb2 Tb 0.83310 0.16690 0.66633 1.00000
Dy1 Dy 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.16690 0.83310 0.83291 1.00000
Dy3 Dy 0.83310 0.16690 0.16709 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
S1 S 0.66677 0.33323 0.08177 1.00000
S2 S 0.33393 0.66607 0.41567 1.00000
S3 S 0.33323 0.66677 0.91823 1.00000
S4 S 0.00050 0.99950 0.74954 1.00000
S5 S 0.99950 0.00050 0.25046 1.00000
S6 S 0.66607 0.33393 0.58433 1.00000
Get direct link