NaDy5S6
Alexandria ALEXAlex-ID: agm088158354 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_328_spg2
NaDy5S6
2025-03-16 08:33:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm088158354).
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 agm088158354
data_agm088158354
_cell_length_a 6.83023
_cell_length_b 6.83023
_cell_length_c 11.10569
_cell_angle_alpha 65.66572
_cell_angle_beta 114.33428
_cell_angle_gamma 146.76941
_cell_volume 256.33405
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.66046 0.33954 0.82693 1.00000
Dy2 Dy 0.33954 0.66046 0.17307 1.00000
Dy3 Dy 0.67047 0.32953 0.34048 1.00000
Dy4 Dy 0.32953 0.67047 0.65952 1.00000
Dy5 Dy 0.00000 0.00000 0.50000 1.00000
S1 S 0.00410 0.99590 0.25030 1.00000
S2 S 0.99590 0.00410 0.74970 1.00000
S3 S 0.33536 0.66464 0.41550 1.00000
S4 S 0.66464 0.33536 0.58450 1.00000
S5 S 0.67472 0.32528 0.08675 1.00000
S6 S 0.32528 0.67472 0.91325 1.00000
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