Li2Tm3ScSe6
Alexandria ALEXAlex-ID: agm045201109 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
LiTmSe2 Li3Tm5Se8 ScSe
2025-03-29 13:17:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045201109).
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 agm045201109
data_agm045201109
_cell_length_a 6.87453
_cell_length_b 6.87453
_cell_length_c 6.81476
_cell_angle_alpha 80.32307
_cell_angle_beta 99.67693
_cell_angle_gamma 60.02968
_cell_volume 262.77144
_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 0.33261 0.33261 0.00000 1.00000
Li2 Li 0.66739 0.66739 0.00000 1.00000
Tm1 Tm 0.16766 0.16766 0.50000 1.00000
Tm2 Tm 0.83234 0.83234 0.50000 1.00000
Tm3 Tm 0.50000 0.50000 0.50000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.41321 0.92025 0.23880 1.00000
Se2 Se 0.25280 0.74720 0.75840 1.00000
Se3 Se 0.58679 0.07975 0.76120 1.00000
Se4 Se 0.07975 0.58679 0.23880 1.00000
Se5 Se 0.74720 0.25280 0.24160 1.00000
Se6 Se 0.92025 0.41321 0.76120 1.00000
Get direct link