MnSbBr6
Alexandria ALEXAlex-ID: agm005807332 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_318_spg166
MnBr3 SbBr3
2023-07-24 23:28:06.531100
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807332).
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
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# CIF generated by HEAS from Alexandria entry agm005807332
data_agm005807332
_cell_length_a 6.89790
_cell_length_b 8.27464
_cell_length_c 8.27464
_cell_angle_alpha 67.40715
_cell_angle_beta 73.86671
_cell_angle_gamma 106.13329
_cell_volume 377.43933
_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 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
Br1 Br 0.13420 0.73866 0.00000 1.00000
Br2 Br 0.39554 0.26134 0.73866 1.00000
Br3 Br 0.86580 0.26134 1.00000 1.00000
Br4 Br 0.86580 0.00000 0.73866 1.00000
Br5 Br 0.60446 0.73866 0.26134 1.00000
Br6 Br 0.13420 1.00000 0.26134 1.00000
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