Sn2Pb(BrO)2
Alexandria ALEXAlex-ID: agm004544360 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_15_spg12
PbBr2 SnO
2022-06-22 23:36:16.955127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544360).
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 agm004544360
data_agm004544360
_cell_length_a 3.89238
_cell_length_b 7.15124
_cell_length_c 7.57222
_cell_angle_alpha 73.88003
_cell_angle_beta 75.10686
_cell_angle_gamma 74.20791
_cell_volume 191.05466
_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
Sn1 Sn 0.18215 0.43371 0.20199 1.00000
Sn2 Sn 0.81785 0.56629 0.79801 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.56295 0.18377 0.69033 1.00000
Br2 Br 0.43705 0.81623 0.30967 1.00000
O1 O 0.20820 0.64751 0.93609 1.00000
O2 O 0.79180 0.35249 0.06391 1.00000
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