Fe2CuBr8
Alexandria ALEXAlex-ID: agm033370277 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_125_spg12
FeBr3 FeCuBr4 Br
2024-10-04 11:01:27.103423
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033370277).
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 agm033370277
data_agm033370277
_cell_length_a 5.67016
_cell_length_b 7.99851
_cell_length_c 11.49062
_cell_angle_alpha 107.24919
_cell_angle_beta 82.92985
_cell_angle_gamma 104.95978
_cell_volume 480.21381
_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 0.38581 0.66603 0.77851 1.00000
Fe2 Fe 0.61419 0.33397 0.22152 1.00000
Cu1 Cu 0.00010 0.00002 0.99994 1.00000
Br1 Br 0.72514 0.92325 0.83027 1.00000
Br2 Br 0.46591 0.39326 0.76361 1.00000
Br3 Br 0.07243 0.70145 0.94306 1.00000
Br4 Br 0.27488 0.07676 0.16969 1.00000
Br5 Br 0.53406 0.60674 0.23642 1.00000
Br6 Br 0.92756 0.29854 0.05694 1.00000
Br7 Br 0.25897 0.69152 0.60447 1.00000
Br8 Br 0.74100 0.30856 0.39558 1.00000
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