Dy(SCl2)2
Alexandria ALEXAlex-ID: agm006038280 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3423_spg2
S8Cl SCl DyCl3
2023-10-16 05:54:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006038280).
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
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# CIF generated by HEAS from Alexandria entry agm006038280
data_agm006038280
_cell_length_a 7.19907
_cell_length_b 3.99489
_cell_length_c 13.40878
_cell_angle_alpha 110.46039
_cell_angle_beta 134.17312
_cell_angle_gamma 90.69410
_cell_volume 239.64593
_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 0.00000 0.00000 0.00000 1.00000
S1 S 0.12366 0.22065 0.53724 1.00000
S2 S 0.87634 0.77935 0.46276 1.00000
Cl1 Cl 0.10243 0.71222 0.18055 1.00000
Cl2 Cl 0.89757 0.28778 0.81945 1.00000
Cl3 Cl 0.46963 0.79935 0.83086 1.00000
Cl4 Cl 0.53037 0.20065 0.16914 1.00000
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