Zn3(Sn2Br5)2
Alexandria ALEXAlex-ID: agm008299433 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C10_38_spg1
SnBr2 Sn ZnBr2
2024-03-09 02:11:28.278419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008299433).
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 agm008299433
data_agm008299433
_cell_length_a 7.17707
_cell_length_b 7.11415
_cell_length_c 13.43464
_cell_angle_alpha 97.96422
_cell_angle_beta 101.95064
_cell_angle_gamma 111.15752
_cell_volume 608.50988
_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
Zn1 Zn 0.74126 0.86085 0.66805 1.00000
Zn2 Zn 0.24366 0.03209 0.29574 1.00000
Zn3 Zn 0.08534 0.06400 0.97039 1.00000
Sn1 Sn 0.42629 0.64085 0.98173 1.00000
Sn2 Sn 0.69437 0.62492 0.18161 1.00000
Sn3 Sn 0.69437 0.90572 0.38154 1.00000
Sn4 Sn 0.37771 0.41028 0.75961 1.00000
Br1 Br 0.92359 0.23202 0.68770 1.00000
Br2 Br 0.86053 0.74567 0.83164 1.00000
Br3 Br 0.37509 0.74803 0.66843 1.00000
Br4 Br 0.18044 0.67461 0.28702 1.00000
Br5 Br 0.57351 0.23411 0.27052 1.00000
Br6 Br 0.96620 0.00555 0.13096 1.00000
Br7 Br 0.78461 0.65732 0.52294 1.00000
Br8 Br 0.12667 0.17867 0.42997 1.00000
Br9 Br 0.02680 0.38236 0.97948 1.00000
Br10 Br 0.41956 0.10294 0.95266 1.00000
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