AgBrO4
Alexandria ALEXAlex-ID: agm005271763 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1984_spg15
AgBrO2 AgO5 BrO4
2023-05-05 07:26:08.542004
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005271763).
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 agm005271763
data_agm005271763
_cell_length_a 7.88127
_cell_length_b 7.88127
_cell_length_c 7.88127
_cell_angle_alpha 142.29014
_cell_angle_beta 142.29014
_cell_angle_gamma 54.39199
_cell_volume 181.90260
_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
Ag1 Ag 0.75000 0.25000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.25000 0.75000 0.50000 1.00000
Br2 Br 0.50000 0.50000 0.00000 1.00000
O1 O 0.32546 0.91451 0.87280 1.00000
O2 O 0.70829 0.79735 0.37280 1.00000
O3 O 0.20265 0.57546 0.91094 1.00000
O4 O 0.08549 0.95829 0.41094 1.00000
O5 O 0.54735 0.67454 0.58906 1.00000
O6 O 0.66451 0.29171 0.08906 1.00000
O7 O 0.42454 0.33549 0.62720 1.00000
O8 O 0.04171 0.45265 0.12720 1.00000
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