Na(AgBr3)2
Alexandria ALEXAlex-ID: agm005678249 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2920_spg12
AgBr Br NaBr
2023-07-08 23:44:17.529352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678249).
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
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# CIF generated by HEAS from Alexandria entry agm005678249
data_agm005678249
_cell_length_a 4.54575
_cell_length_b 13.67238
_cell_length_c 18.03163
_cell_angle_alpha 158.12363
_cell_angle_beta 90.00001
_cell_angle_gamma 99.56917
_cell_volume 373.71046
_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
Na1 Na 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.81029 0.62059 0.91284 1.00000
Ag2 Ag 0.18971 0.37941 0.08716 1.00000
Br1 Br 0.33919 0.67838 0.02145 1.00000
Br2 Br 0.66081 0.32162 0.97855 1.00000
Br3 Br 0.12248 0.24496 0.14647 1.00000
Br4 Br 0.56888 0.13776 0.49184 1.00000
Br5 Br 0.87752 0.75504 0.85353 1.00000
Br6 Br 0.43112 0.86224 0.50816 1.00000
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