Hg5(H2Br)2
Alexandria ALEXAlex-ID: agm005659789 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_828_spg2
HgH4 Hg HgBr
2023-06-21 16:35:10.942799
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659789).
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 agm005659789
data_agm005659789
_cell_length_a 6.67472
_cell_length_b 10.35388
_cell_length_c 6.42419
_cell_angle_alpha 125.14286
_cell_angle_beta 46.60893
_cell_angle_gamma 114.72832
_cell_volume 263.62182
_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 0.80270 0.91000 0.23882 1.00000
Hg2 Hg 0.19730 0.09000 0.76118 1.00000
Hg3 Hg 0.00000 0.50000 0.50000 1.00000
Hg4 Hg 0.21686 0.64383 0.14232 1.00000
Hg5 Hg 0.78314 0.35617 0.85768 1.00000
H1 H 0.30697 0.25749 0.96029 1.00000
H2 H 0.69303 0.74251 0.03971 1.00000
H3 H 0.90119 0.08233 0.44043 1.00000
H4 H 0.09881 0.91767 0.55957 1.00000
Br1 Br 0.41103 0.74341 0.73314 1.00000
Br2 Br 0.58897 0.25659 0.26686 1.00000
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