SrLiBr3
Alexandria ALEXAlex-ID: agm005723067 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2620_spg15
LiBr SrBr2
2023-07-04 13:45:55.093329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005723067).
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 agm005723067
data_agm005723067
_cell_length_a 7.73408
_cell_length_b 9.39511
_cell_length_c 9.39511
_cell_angle_alpha 78.57971
_cell_angle_beta 77.82928
_cell_angle_gamma 77.82927
_cell_volume 643.85160
_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
Sr1 Sr 0.25000 0.90575 0.09425 1.00000
Sr2 Sr 0.75000 0.09425 0.90575 1.00000
Sr3 Sr 0.25000 0.34310 0.65690 1.00000
Sr4 Sr 0.75000 0.65690 0.34310 1.00000
Li1 Li 0.74239 0.61385 0.79434 1.00000
Li2 Li 0.75761 0.20566 0.38615 1.00000
Li3 Li 0.25761 0.38615 0.20566 1.00000
Li4 Li 0.24239 0.79434 0.61385 1.00000
Br1 Br 0.64532 0.77935 0.99429 1.00000
Br2 Br 0.85468 0.00571 0.22065 1.00000
Br3 Br 0.35468 0.22065 0.00571 1.00000
Br4 Br 0.14532 0.99429 0.77935 1.00000
Br5 Br 0.90065 0.36723 0.89520 1.00000
Br6 Br 0.59935 0.10480 0.63277 1.00000
Br7 Br 0.09935 0.63277 0.10480 1.00000
Br8 Br 0.40065 0.89520 0.36723 1.00000
Br9 Br 0.49000 0.57480 0.67674 1.00000
Br10 Br 0.01000 0.32326 0.42520 1.00000
Br11 Br 0.51000 0.42520 0.32326 1.00000
Br12 Br 0.99000 0.67674 0.57480 1.00000
