Fe2CuBr8
Alexandria ALEXAlex-ID: agm005854751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_12_spg12
FeBr3 FeCuBr4 Br
2023-10-14 10:48:36.093551
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005854751).
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 agm005854751
data_agm005854751
_cell_length_a 6.71974
_cell_length_b 10.23559
_cell_length_c 10.23559
_cell_angle_alpha 56.23033
_cell_angle_beta 128.57495
_cell_angle_gamma 128.57495
_cell_volume 413.90640
_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
Br1 Br 0.00348 0.91117 0.28044 1.00000
Br2 Br 0.00348 0.28044 0.91117 1.00000
Br3 Br 0.99652 0.08883 0.71956 1.00000
Br4 Br 0.47510 0.36878 0.36878 1.00000
Br5 Br 0.99652 0.71956 0.08883 1.00000
Br6 Br 0.32025 0.81410 0.81410 1.00000
Br7 Br 0.67975 0.18590 0.18590 1.00000
Br8 Br 0.52490 0.63122 0.63122 1.00000
Fe1 Fe 0.95372 0.80241 0.80241 1.00000
Fe2 Fe 0.04628 0.19759 0.19759 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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