InSeBr3
Alexandria ALEXAlex-ID: agm002018487 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4372_spg1
InBr3 Se
2021-11-15 06:54:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002018487).
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 agm002018487
data_agm002018487
_cell_length_a 7.28511
_cell_length_b 7.35504
_cell_length_c 8.13266
_cell_angle_alpha 91.06236
_cell_angle_beta 101.95420
_cell_angle_gamma 98.85398
_cell_volume 420.66318
_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
Br1 Br 0.36073 0.49725 0.82861 1.00000
Br2 Br 0.02899 0.91039 0.68010 1.00000
Br3 Br 0.65064 0.88242 0.17169 1.00000
Br4 Br 0.20861 0.68698 0.30654 1.00000
Br5 Br 0.18380 0.18867 0.16904 1.00000
Br6 Br 0.69498 0.39173 0.32406 1.00000
Se1 Se 0.55590 0.05257 0.68005 1.00000
Se2 Se 0.71120 0.79987 0.70989 1.00000
In1 In 0.45447 0.03885 0.35456 1.00000
In2 In 0.42000 0.53168 0.14409 1.00000
Get direct link