Li4CuBr6
Alexandria ALEXAlex-ID: agm006106934 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_376_spg9
CuBr2 LiBr
2023-10-17 15:00:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106934).
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 agm006106934
data_agm006106934
_cell_length_a 7.78310
_cell_length_b 7.30019
_cell_length_c 13.44418
_cell_angle_alpha 70.82668
_cell_angle_beta 73.17438
_cell_angle_gamma 57.78651
_cell_volume 604.15302
_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 0.27441 0.97556 0.66253 1.00000
Li2 Li 0.08751 0.47556 0.16253 1.00000
Li3 Li 0.78620 0.21967 0.45867 1.00000
Li4 Li 0.53546 0.71967 0.95867 1.00000
Li5 Li 0.85849 0.71539 0.63504 1.00000
Li6 Li 0.79108 0.21539 0.13504 1.00000
Li7 Li 0.70562 0.23473 0.79846 1.00000
Li8 Li 0.26118 0.73473 0.29846 1.00000
Cu1 Cu 0.70382 0.77956 0.39111 1.00000
Cu2 Cu 0.12552 0.27956 0.89111 1.00000
Br1 Br 0.40067 0.53222 0.14193 1.00000
Br2 Br 0.92518 0.03222 0.64193 1.00000
Br3 Br 0.48204 0.61790 0.44149 1.00000
Br4 Br 0.45857 0.11790 0.94149 1.00000
Br5 Br 0.54622 0.03787 0.50415 1.00000
Br6 Br 0.91176 0.53787 0.00415 1.00000
Br7 Br 0.94159 0.07689 0.94265 1.00000
Br8 Br 0.03888 0.57689 0.44265 1.00000
Br9 Br 0.00994 0.15489 0.27514 1.00000
Br10 Br 0.56003 0.65489 0.77514 1.00000
Br11 Br 0.18926 0.34151 0.70304 1.00000
Br12 Br 0.76619 0.84151 0.20304 1.00000
