LiTb(Dy3Se4)2
Alexandria ALEXAlex-ID: agm079166179 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6D8_7_spg216
TbDy4Se5 Tb4DySe5 LiDy3Se4
2025-03-01 07:42:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079166179).
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 agm079166179
data_agm079166179
_cell_length_a 8.12370
_cell_length_b 8.12370
_cell_length_c 8.12370
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 379.09412
_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
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.50000 0.50000 0.00000 1.00000
Dy3 Dy 0.50000 0.00000 0.50000 1.00000
Dy4 Dy 0.00000 0.50000 0.50000 1.00000
Dy5 Dy 0.00000 0.00000 0.50000 1.00000
Dy6 Dy 0.00000 0.50000 0.00000 1.00000
Se1 Se 0.25635 0.74365 0.74365 1.00000
Se2 Se 0.74365 0.25635 0.25635 1.00000
Se3 Se 0.25635 0.25635 0.74365 1.00000
Se4 Se 0.74365 0.74365 0.25635 1.00000
Se5 Se 0.25635 0.74365 0.25635 1.00000
Se6 Se 0.74365 0.25635 0.74365 1.00000
Se7 Se 0.25000 0.25000 0.25000 1.00000
Se8 Se 0.75000 0.75000 0.75000 1.00000
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