LiDySc
Alexandria ALEXAlex-ID: agm005692883 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2603_spg156
Li Dy Sc
2023-06-19 12:14:38.828002
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692883).
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 agm005692883
data_agm005692883
_cell_length_a 3.38258
_cell_length_b 3.38263
_cell_length_c 19.62478
_cell_angle_alpha 121.10989
_cell_angle_beta 121.10894
_cell_angle_gamma 59.94762
_cell_volume 156.00434
_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 0.98153 0.98148 0.57344 1.00000
Li2 Li 0.01847 0.01852 0.42656 1.00000
Dy1 Dy 0.64377 0.64372 0.90452 1.00000
Dy2 Dy 0.35623 0.35628 0.09548 1.00000
Sc1 Sc 0.96848 0.96838 0.73311 1.00000
Sc2 Sc 0.03152 0.03162 0.26689 1.00000
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