Fe(Ag3Br4)2
Alexandria ALEXAlex-ID: agm072250262 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_781_spg1
AgBr FeBr2
2024-10-06 11:50:37.483681
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072250262).
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 agm072250262
data_agm072250262
_cell_length_a 8.29090
_cell_length_b 6.74620
_cell_length_c 10.62595
_cell_angle_alpha 110.03678
_cell_angle_beta 106.45411
_cell_angle_gamma 85.35731
_cell_volume 535.40570
_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
Fe1 Fe 0.05960 0.04992 0.02978 1.00000
Ag1 Ag 0.55243 0.83228 0.44355 1.00000
Ag2 Ag 0.04944 0.76295 0.26812 1.00000
Ag3 Ag 0.92303 0.21430 0.40970 1.00000
Ag4 Ag 0.29047 0.16897 0.41192 1.00000
Ag5 Ag 0.88962 0.20676 0.76641 1.00000
Ag6 Ag 0.05132 0.87590 0.56710 1.00000
Br1 Br 0.33037 0.96564 0.16433 1.00000
Br2 Br 0.06674 0.40709 0.02325 1.00000
Br3 Br 0.97631 0.80602 0.79029 1.00000
Br4 Br 0.30211 0.62329 0.44496 1.00000
Br5 Br 0.81059 0.60034 0.36531 1.00000
Br6 Br 0.84008 0.99676 0.13208 1.00000
Br7 Br 0.66755 0.23001 0.54379 1.00000
Br8 Br 0.19035 0.25978 0.63942 1.00000
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