Th4Fe2Br5
Alexandria ALEXAlex-ID: agm005684567 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_768_spg2
Th6FeBr15 Th7Fe3 ThFeBr
2023-06-21 15:58:53.284108
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684567).
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 agm005684567
data_agm005684567
_cell_length_a 3.80904
_cell_length_b 9.55870
_cell_length_c 9.65384
_cell_angle_alpha 112.98181
_cell_angle_beta 97.96064
_cell_angle_gamma 87.41027
_cell_volume 320.45938
_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
Th1 Th 0.20868 0.62491 0.33727 1.00000
Th2 Th 0.98030 0.29131 0.01690 1.00000
Th3 Th 0.79132 0.37509 0.66273 1.00000
Th4 Th 0.01970 0.70869 0.98310 1.00000
Fe1 Fe 0.55812 0.50823 0.12125 1.00000
Fe2 Fe 0.44188 0.49177 0.87875 1.00000
Br1 Br 0.19561 0.31807 0.37593 1.00000
Br2 Br 0.80439 0.68193 0.62407 1.00000
Br3 Br 0.13879 0.91636 0.31074 1.00000
Br4 Br 0.50000 0.00000 0.00000 1.00000
Br5 Br 0.86121 0.08364 0.68926 1.00000
Get direct link