Ba2(DyS2)3
Alexandria ALEXAlex-ID: agm005603328 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_239_spg12
Dy5S6 Ba(DyS2)2 BaS
2023-06-12 23:43:45.322073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603328).
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 agm005603328
data_agm005603328
_cell_length_a 6.99247
_cell_length_b 6.98821
_cell_length_c 7.64634
_cell_angle_alpha 81.26499
_cell_angle_beta 72.32937
_cell_angle_gamma 59.97985
_cell_volume 308.24909
_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
Ba1 Ba 0.16717 0.66566 0.50000 1.00000
Ba2 Ba 0.83283 0.33434 0.50000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.33519 0.32962 1.00000 1.00000
Dy3 Dy 0.66481 0.67038 0.00000 1.00000
S1 S 0.40205 0.66480 0.79314 1.00000
S2 S 0.73801 0.00000 0.79086 1.00000
S3 S 0.06685 0.33520 0.79314 1.00000
S4 S 0.26199 1.00000 0.20914 1.00000
S5 S 0.59795 0.33520 0.20686 1.00000
S6 S 0.93315 0.66480 0.20686 1.00000
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