Pr3Dy2S5
Alexandria ALEXAlex-ID: agm037856972 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_199_spg12
Pr4DyS5 PrDy4S5
2025-02-13 09:29:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm037856972).
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 agm037856972
data_agm037856972
_cell_length_a 7.03859
_cell_length_b 7.03859
_cell_length_c 9.88247
_cell_angle_alpha 61.46754
_cell_angle_beta 118.53246
_cell_angle_gamma 147.08764
_cell_volume 230.68076
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.60067 0.39933 0.39384 1.00000
Pr3 Pr 0.39933 0.60067 0.60616 1.00000
Dy1 Dy 0.80285 0.19715 0.20339 1.00000
Dy2 Dy 0.19715 0.80285 0.79661 1.00000
S1 S 0.00000 0.00000 0.50000 1.00000
S2 S 0.61149 0.38851 0.90523 1.00000
S3 S 0.38851 0.61149 0.09477 1.00000
S4 S 0.20804 0.79196 0.29536 1.00000
S5 S 0.79196 0.20804 0.70464 1.00000
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