Nb2InBr6
Alexandria ALEXAlex-ID: agm005689281 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_882_spg12
Nb3In2Br9 In2Br3 Nb3Br8
2023-07-06 13:44:21.782120
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689281).
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 agm005689281
data_agm005689281
_cell_length_a 3.57862
_cell_length_b 8.43511
_cell_length_c 9.74489
_cell_angle_alpha 99.28413
_cell_angle_beta 78.47660
_cell_angle_gamma 113.89435
_cell_volume 262.46319
_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
Nb1 Nb 0.85934 0.55011 0.38755 1.00000
Nb2 Nb 0.14066 0.44989 0.61245 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.48682 0.75981 0.52095 1.00000
Br2 Br 0.51318 0.24019 0.47905 1.00000
Br3 Br 0.79720 0.18975 0.78869 1.00000
Br4 Br 0.32091 0.40276 0.19866 1.00000
Br5 Br 0.20280 0.81025 0.21131 1.00000
Br6 Br 0.67909 0.59724 0.80134 1.00000
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