Li3BeBr2Cl3
Alexandria ALEXAlex-ID: agm071283000 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_118_spg212
Li2BeCl4 LiBr BeCl2
2024-08-07 01:48:01.586447
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071283000).
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 agm071283000
data_agm071283000
_cell_length_a 11.53579
_cell_length_b 11.53579
_cell_length_c 11.53579
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1535.11710
_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 0.12500 0.38580 0.86420 1.00000
Li2 Li 0.37500 0.61420 0.36420 1.00000
Li3 Li 0.87500 0.88580 0.63580 1.00000
Li4 Li 0.62500 0.11420 0.13580 1.00000
Li5 Li 0.86420 0.12500 0.38580 1.00000
Li6 Li 0.36420 0.37500 0.61420 1.00000
Li7 Li 0.63580 0.87500 0.88580 1.00000
Li8 Li 0.13580 0.62500 0.11420 1.00000
Li9 Li 0.38580 0.86420 0.12500 1.00000
Li10 Li 0.61420 0.36420 0.37500 1.00000
Li11 Li 0.88580 0.63580 0.87500 1.00000
Li12 Li 0.11420 0.13580 0.62500 1.00000
Be1 Be 0.12500 0.12500 0.12500 1.00000
Be2 Be 0.37500 0.87500 0.62500 1.00000
Be3 Be 0.87500 0.62500 0.37500 1.00000
Be4 Be 0.62500 0.37500 0.87500 1.00000
Br1 Br 0.41007 0.41007 0.41007 1.00000
Br2 Br 0.08993 0.58993 0.91007 1.00000
Br3 Br 0.58993 0.91007 0.08993 1.00000
Br4 Br 0.91007 0.08993 0.58993 1.00000
Br5 Br 0.66007 0.16007 0.33993 1.00000
Br6 Br 0.83993 0.83993 0.83993 1.00000
Br7 Br 0.16007 0.33993 0.66007 1.00000
Br8 Br 0.33993 0.66007 0.16007 1.00000
Cl1 Cl 0.12500 0.24280 0.00720 1.00000
Cl2 Cl 0.37500 0.75720 0.50720 1.00000
Cl3 Cl 0.87500 0.74280 0.49280 1.00000
Cl4 Cl 0.62500 0.25720 0.99280 1.00000
Cl5 Cl 0.00720 0.12500 0.24280 1.00000
Cl6 Cl 0.50720 0.37500 0.75720 1.00000
Cl7 Cl 0.49280 0.87500 0.74280 1.00000
Cl8 Cl 0.99280 0.62500 0.25720 1.00000
Cl9 Cl 0.24280 0.00720 0.12500 1.00000
Cl10 Cl 0.75720 0.50720 0.37500 1.00000
Cl11 Cl 0.74280 0.49280 0.87500 1.00000
Cl12 Cl 0.25720 0.99280 0.62500 1.00000
