Pr3Dy(YS3)2
Alexandria ALEXAlex-ID: agm034265216 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_521_spg12
Pr3Dy(YS3)2
2025-03-13 01:57:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034265216).
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 agm034265216
data_agm034265216
_cell_length_a 8.94972
_cell_length_b 8.94972
_cell_length_c 8.08337
_cell_angle_alpha 77.49540
_cell_angle_beta 102.50460
_cell_angle_gamma 154.30291
_cell_volume 273.73576
_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 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.83573 0.16427 0.66374 1.00000
Pr3 Pr 0.16427 0.83573 0.33626 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.16830 0.83170 0.83250 1.00000
Y2 Y 0.83170 0.16830 0.16750 1.00000
S1 S 0.66566 0.33434 0.07234 1.00000
S2 S 0.33179 0.66821 0.40239 1.00000
S3 S 0.33434 0.66566 0.92766 1.00000
S4 S 0.99390 0.00610 0.23378 1.00000
S5 S 0.00610 0.99390 0.76622 1.00000
S6 S 0.66821 0.33179 0.59761 1.00000
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