PbBr4
Alexandria ALEXAlex-ID: agm002139331 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_66_spg2
PbBr2 Br
2018-06-26 04:32:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002139331).
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 agm002139331
data_agm002139331
_cell_length_a 7.96525
_cell_length_b 6.99004
_cell_length_c 11.32444
_cell_angle_alpha 72.58219
_cell_angle_beta 110.36722
_cell_angle_gamma 124.75749
_cell_volume 481.44206
_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
Pb1 Pb 0.42986 0.74438 0.75016 1.00000
Pb2 Pb 0.57012 0.25554 0.24978 1.00000
Br1 Br 0.39090 0.40482 0.67394 1.00000
Br2 Br 0.60907 0.59534 0.32615 1.00000
Br3 Br 0.77461 0.08498 0.43592 1.00000
Br4 Br 0.76121 0.42921 0.06346 1.00000
Br5 Br 0.80546 0.08528 0.82651 1.00000
Br6 Br 0.19442 0.91467 0.17342 1.00000
Br7 Br 0.22554 0.91504 0.56418 1.00000
Br8 Br 0.23881 0.57073 0.93646 1.00000
Get direct link