Tb3ReBr3
Alexandria ALEXAlex-ID: agm044972728 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_210_spg11
Tb TbRe2 TbBr3
2024-09-25 19:16:16.574921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044972728).
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 agm044972728
data_agm044972728
_cell_length_a 4.06488
_cell_length_b 8.80821
_cell_length_c 12.08547
_cell_angle_alpha 72.50416
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 412.69489
_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
Tb1 Tb 0.75000 0.24675 0.84520 1.00000
Tb2 Tb 0.25000 0.75325 0.15480 1.00000
Tb3 Tb 0.75000 0.78768 0.88997 1.00000
Tb4 Tb 0.25000 0.21232 0.11003 1.00000
Tb5 Tb 0.75000 0.93375 0.32904 1.00000
Tb6 Tb 0.25000 0.06625 0.67096 1.00000
Re1 Re 0.75000 0.99982 0.07124 1.00000
Re2 Re 0.25000 0.00018 0.92876 1.00000
Br1 Br 0.75000 0.48981 0.13751 1.00000
Br2 Br 0.25000 0.51019 0.86249 1.00000
Br3 Br 0.75000 0.85099 0.62562 1.00000
Br4 Br 0.25000 0.14901 0.37438 1.00000
Br5 Br 0.75000 0.31519 0.59074 1.00000
Br6 Br 0.25000 0.68481 0.40926 1.00000
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