In2Sn3Br8
Alexandria ALEXAlex-ID: agm017452395 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_9_spg12
InSnBr3 SnBr2
2024-10-03 04:47:30.612675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017452395).
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 agm017452395
data_agm017452395
_cell_length_a 9.40325
_cell_length_b 9.40325
_cell_length_c 7.55402
_cell_angle_alpha 72.18564
_cell_angle_beta 72.18564
_cell_angle_gamma 57.08062
_cell_volume 525.58951
_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 0.25462 0.25462 0.46434 1.00000
In2 In 0.74538 0.74538 0.53566 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.26152 0.73848 0.50000 1.00000
Sn3 Sn 0.73848 0.26152 0.50000 1.00000
Br1 Br 0.61286 0.61286 0.28307 1.00000
Br2 Br 0.38714 0.38714 0.71693 1.00000
Br3 Br 0.10954 0.10954 0.24559 1.00000
Br4 Br 0.89046 0.89046 0.75441 1.00000
Br5 Br 0.65447 0.12565 0.25356 1.00000
Br6 Br 0.12565 0.65447 0.25356 1.00000
Br7 Br 0.87435 0.34553 0.74644 1.00000
Br8 Br 0.34553 0.87435 0.74644 1.00000
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