MnInBr3
Alexandria ALEXAlex-ID: agm003707366 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_936_spg11
InBr MnBr2
2022-04-30 15:27:05.812502
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003707366).
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 agm003707366
data_agm003707366
_cell_length_a 4.00613
_cell_length_b 8.88661
_cell_length_c 9.22239
_cell_angle_alpha 101.75085
_cell_angle_beta 89.99994
_cell_angle_gamma 89.99993
_cell_volume 321.44490
_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 0.25001 0.83370 0.36589 1.00000
Mn2 Mn 0.74999 0.16630 0.63411 1.00000
In1 In 0.25000 0.37956 0.18797 1.00000
In2 In 0.75000 0.62044 0.81203 1.00000
Br1 Br 0.75001 0.64693 0.41374 1.00000
Br2 Br 0.24999 0.35307 0.58626 1.00000
Br3 Br 0.74999 0.29460 0.91835 1.00000
Br4 Br 0.25000 0.96273 0.66291 1.00000
Br5 Br 0.25001 0.70540 0.08165 1.00000
Br6 Br 0.75000 0.03727 0.33709 1.00000
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