LiC
Alexandria ALEXAlex-ID: agm004465239 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_2315_spg65
LiC6 Li
2022-05-30 08:16:02.353226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004465239).
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 agm004465239
data_agm004465239
_cell_length_a 13.90450
_cell_length_b 2.55697
_cell_length_c 3.39116
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 120.56726
_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 0.65143 0.00000 0.00000 1.00000
Li2 Li 0.34857 0.00000 0.00000 1.00000
Li3 Li 0.15143 0.50000 0.00000 1.00000
Li4 Li 0.84857 0.50000 0.00000 1.00000
Li5 Li 0.00000 0.00000 0.50000 1.00000
Li6 Li 0.50000 0.50000 0.50000 1.00000
C1 C 0.76634 0.00000 0.50000 1.00000
C2 C 0.23366 0.00000 0.50000 1.00000
C3 C 0.26634 0.50000 0.50000 1.00000
C4 C 0.73366 0.50000 0.50000 1.00000
C5 C 0.50000 0.00000 0.00000 1.00000
C6 C 0.00000 0.50000 0.00000 1.00000
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