LiDyFe
Alexandria ALEXAlex-ID: agm005659242 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9774_spg12
DyFe2 Li Dy
2023-06-19 10:29:02.471088
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659242).
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 agm005659242
data_agm005659242
_cell_length_a 3.89602
_cell_length_b 3.89625
_cell_length_c 10.29641
_cell_angle_alpha 89.97976
_cell_angle_beta 89.97094
_cell_angle_gamma 60.01385
_cell_volume 135.37711
_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 0.62882 0.97883 0.71338 1.00000
Li2 Li 0.96242 0.31232 0.86830 1.00000
Dy1 Dy 0.29527 0.64502 0.46811 1.00000
Dy2 Dy 0.29548 0.64537 0.11335 1.00000
Fe1 Fe 0.62850 0.97834 0.29855 1.00000
Fe2 Fe 0.96198 0.31179 0.28302 1.00000
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