Dy2UNiS5
Alexandria ALEXAlex-ID: agm005158671 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
Dy2S3 UNiS2
2023-01-19 13:53:07.279297
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158671).
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 agm005158671
data_agm005158671
_cell_length_a 3.73235
_cell_length_b 8.41157
_cell_length_c 11.69008
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.81818
_cell_volume 357.86304
_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 0.89387 0.78774 0.85060 1.00000
Dy2 Dy 0.11526 0.23051 0.69314 1.00000
Dy3 Dy 0.10613 0.21226 0.35060 1.00000
Dy4 Dy 0.88474 0.76949 0.19314 1.00000
U1 U 0.82555 0.65110 0.52747 1.00000
U2 U 0.17445 0.34890 0.02747 1.00000
Ni1 Ni 0.55179 0.10358 0.91928 1.00000
Ni2 Ni 0.44821 0.89642 0.41928 1.00000
S1 S 0.34186 0.68371 0.01965 1.00000
S2 S 0.68073 0.36146 0.85790 1.00000
S3 S 0.49516 0.99032 0.74616 1.00000
S4 S 0.30308 0.60616 0.69649 1.00000
S5 S 0.98539 0.97079 0.51326 1.00000
S6 S 0.65814 0.31629 0.51965 1.00000
S7 S 0.31927 0.63854 0.35790 1.00000
S8 S 0.50484 0.00968 0.24616 1.00000
S9 S 0.69692 0.39384 0.19649 1.00000
S10 S 0.01461 0.02921 0.01326 1.00000
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