InSeBr
Alexandria ALEXAlex-ID: agm002018534 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2151_spg4
InSeBr
2021-11-13 06:02:26.089794
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002018534).
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 agm002018534
data_agm002018534
_cell_length_a 4.06646
_cell_length_b 6.76373
_cell_length_c 7.27323
_cell_angle_alpha 91.54953
_cell_angle_beta 95.91070
_cell_angle_gamma 90.04032
_cell_volume 198.90839
_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
In1 In 0.00240 0.09865 0.35999 1.00000
In2 In 0.37046 0.59667 0.28602 1.00000
Se1 Se 0.54082 0.90465 0.51419 1.00000
Se2 Se 0.83170 0.39346 0.13204 1.00000
Br1 Br 0.24326 0.40284 0.60827 1.00000
Br2 Br 0.13025 0.88667 0.03784 1.00000
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