Li4PrDy3Se8
Alexandria ALEXAlex-ID: agm045846472 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
LiDySe2 Pr2Se3 Li2Se
2025-02-27 11:03:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045846472).
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 agm045846472
data_agm045846472
_cell_length_a 8.06240
_cell_length_b 8.06240
_cell_length_c 8.06240
_cell_angle_alpha 61.34229
_cell_angle_beta 61.34229
_cell_angle_gamma 61.34229
_cell_volume 381.75424
_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
Li1 Li 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.50000 1.00000
Li3 Li 0.00000 0.50000 0.00000 1.00000
Li4 Li 0.50000 0.00000 0.00000 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.50000 0.00000 0.50000 1.00000
Dy2 Dy 0.00000 0.50000 0.50000 1.00000
Dy3 Dy 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.74308 0.25647 0.25647 1.00000
Se2 Se 0.25647 0.74308 0.25647 1.00000
Se3 Se 0.24945 0.24945 0.24945 1.00000
Se4 Se 0.25647 0.25647 0.74308 1.00000
Se5 Se 0.74353 0.74353 0.25692 1.00000
Se6 Se 0.75055 0.75055 0.75055 1.00000
Se7 Se 0.74353 0.25692 0.74353 1.00000
Se8 Se 0.25692 0.74353 0.74353 1.00000
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