LiHo2(ScS2)3
Alexandria ALEXAlex-ID: agm032248564 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
LiSc4S5 LiHo3S4 ScS
2025-03-29 13:23:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032248564).
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 agm032248564
data_agm032248564
_cell_length_a 8.42953
_cell_length_b 8.42953
_cell_length_c 7.54878
_cell_angle_alpha 76.52988
_cell_angle_beta 103.47012
_cell_angle_gamma 154.23804
_cell_volume 226.38085
_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
Ho1 Ho 0.16545 0.83455 0.83398 1.00000
Ho2 Ho 0.83455 0.16545 0.16602 1.00000
Sc1 Sc 0.50000 0.50000 0.00000 1.00000
Sc2 Sc 0.16521 0.83479 0.32555 1.00000
Sc3 Sc 0.83479 0.16521 0.67445 1.00000
S1 S 0.66713 0.33287 0.57196 1.00000
S2 S 0.33674 0.66326 0.91002 1.00000
S3 S 0.33287 0.66713 0.42804 1.00000
S4 S 0.00306 0.99694 0.25029 1.00000
S5 S 0.99694 0.00306 0.74971 1.00000
S6 S 0.66326 0.33674 0.08998 1.00000
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