Mg2Br3N2
Alexandria ALEXAlex-ID: agm005556643 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_641_spg2
Mg3N2 Mg(BrN)2 MgBr2
2023-06-09 13:08:05.286348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005556643).
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 agm005556643
data_agm005556643
_cell_length_a 3.95938
_cell_length_b 6.77798
_cell_length_c 7.70124
_cell_angle_alpha 91.20710
_cell_angle_beta 59.73942
_cell_angle_gamma 73.80826
_cell_volume 168.14870
_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
Mg1 Mg 0.00323 0.25792 0.85736 1.00000
Mg2 Mg 0.99677 0.74208 0.14264 1.00000
Br1 Br 0.50000 0.00000 0.00000 1.00000
Br2 Br 0.52084 0.50184 0.23528 1.00000
Br3 Br 0.47916 0.49816 0.76472 1.00000
N1 N 0.61838 0.92239 0.44043 1.00000
N2 N 0.38162 0.07761 0.55957 1.00000
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