Ag6SeIBr2
Alexandria ALEXAlex-ID: agm004987393 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_32_spg12
Ag2Se AgI AgBr Ag
2022-08-02 15:24:27.900883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004987393).
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 agm004987393
data_agm004987393
_cell_length_a 7.26730
_cell_length_b 6.14509
_cell_length_c 7.13279
_cell_angle_alpha 115.51600
_cell_angle_beta 112.94808
_cell_angle_gamma 90.00000
_cell_volume 259.25608
_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 0.27334 0.72759 0.45518 1.00000
Ag2 Ag 0.12324 0.11996 0.74593 1.00000
Ag3 Ag 0.87676 0.37402 0.25407 1.00000
Ag4 Ag 0.12324 0.62598 0.74593 1.00000
Ag5 Ag 0.87676 0.88004 0.25407 1.00000
Ag6 Ag 0.72666 0.27241 0.54482 1.00000
Se1 Se 0.00000 0.50000 0.00000 1.00000
I1 I 0.50000 0.00000 0.00000 1.00000
Br1 Br 0.33300 0.25647 0.51294 1.00000
Br2 Br 0.66700 0.74353 0.48706 1.00000
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