Pr2Dy3S4
Alexandria ALEXAlex-ID: agm005689276 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Pr4DyS5 PrDy4S5 Dy
2023-06-29 01:53:14.679692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689276).
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 agm005689276
data_agm005689276
_cell_length_a 3.92569
_cell_length_b 6.80219
_cell_length_c 8.95084
_cell_angle_alpha 74.79220
_cell_angle_beta 77.33254
_cell_angle_gamma 73.22817
_cell_volume 218.15189
_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 0.59935 0.20476 0.59654 1.00000
Pr2 Pr 0.40065 0.79524 0.40346 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.20513 0.39518 0.19457 1.00000
Dy3 Dy 0.79487 0.60482 0.80543 1.00000
S1 S 0.80185 0.10733 0.28896 1.00000
S2 S 0.19815 0.89267 0.71104 1.00000
S3 S 0.39556 0.30215 0.90673 1.00000
S4 S 0.60444 0.69785 0.09327 1.00000
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