MnHgSbBr6
Alexandria ALEXAlex-ID: agm005095992 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
HgBr MnBr2 SbBr3
2022-12-16 20:51:58.594051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005095992).
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 agm005095992
data_agm005095992
_cell_length_a 7.05918
_cell_length_b 7.05924
_cell_length_c 7.07018
_cell_angle_alpha 90.00169
_cell_angle_beta 90.00131
_cell_angle_gamma 59.99698
_cell_volume 305.11265
_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
Mn1 Mn 0.66662 0.66668 0.49993 1.00000
Hg1 Hg 0.99998 0.99999 0.99999 1.00000
Sb1 Sb 0.33328 0.33336 0.50002 1.00000
Br1 Br 0.98138 0.36953 0.28000 1.00000
Br2 Br 0.36948 0.98142 0.72001 1.00000
Br3 Br 0.64906 0.36949 0.72002 1.00000
Br4 Br 0.98140 0.64907 0.72000 1.00000
Br5 Br 0.36948 0.64911 0.27997 1.00000
Br6 Br 0.64907 0.98141 0.27998 1.00000
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