Hg2Br4O
Alexandria ALEXAlex-ID: agm096690684 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6196_spg8
Br2O HgBr2 HgO5
2025-04-11 12:09:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096690684).
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 agm096690684
data_agm096690684
_cell_length_a 4.26394
_cell_length_b 6.33889
_cell_length_c 9.38675
_cell_angle_alpha 88.81119
_cell_angle_beta 103.62594
_cell_angle_gamma 87.08762
_cell_volume 246.11169
_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
Hg1 Hg 0.21182 0.93485 0.95961 1.00000
Hg2 Hg 0.80126 0.46558 0.49321 1.00000
Br1 Br 0.49277 0.33458 0.16378 1.00000
Br2 Br 0.25555 0.22772 0.63016 1.00000
Br3 Br 0.35706 0.71880 0.35880 1.00000
Br4 Br 0.78156 0.71044 0.83784 1.00000
O1 O 0.59997 0.10803 0.05659 1.00000
Get direct link