Pm2DyYS4
Alexandria ALEXAlex-ID: agm045280229 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
PmDy4S5 PmY4S5 Pm4YS5
2025-03-02 03:56:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045280229).
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 agm045280229
data_agm045280229
_cell_length_a 7.94760
_cell_length_b 7.94760
_cell_length_c 7.94760
_cell_angle_alpha 119.98722
_cell_angle_beta 120.00745
_cell_angle_gamma 90.00461
_cell_volume 354.98477
_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
Pm1 Pm 0.50000 0.00000 0.50000 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Pm4 Pm 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.00000 0.50000 0.50000 1.00000
Dy2 Dy 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.50000 0.00000 0.00000 1.00000
Y2 Y 0.50000 0.50000 0.50000 1.00000
S1 S 0.74615 0.73757 0.49142 1.00000
S2 S 0.74615 0.25473 0.00858 1.00000
S3 S 0.25385 0.74527 0.99142 1.00000
S4 S 0.25385 0.26243 0.50858 1.00000
S5 S 0.74658 0.25430 0.49229 1.00000
S6 S 0.26201 0.25430 0.00771 1.00000
S7 S 0.73799 0.74570 0.99229 1.00000
S8 S 0.25342 0.74570 0.50771 1.00000
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