LiSeCl
Alexandria ALEXAlex-ID: agm002092425 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_4905_spg164
Se LiCl
2021-11-10 22:02:07.533545
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002092425).
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 agm002092425
data_agm002092425
_cell_length_a 3.91323
_cell_length_b 4.29267
_cell_length_c 11.03203
_cell_angle_alpha 87.02301
_cell_angle_beta 87.32603
_cell_angle_gamma 62.75374
_cell_volume 164.47988
_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 0.82927 0.52075 0.50991 1.00000
Li2 Li 0.17167 0.89096 0.31368 1.00000
Se1 Se 0.83801 0.47742 0.86375 1.00000
Se2 Se 0.09303 0.94302 0.95535 1.00000
Cl1 Cl 0.14580 0.87946 0.53747 1.00000
Cl2 Cl 0.85446 0.53264 0.28584 1.00000
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