HfBr3
Alexandria ALEXAlex-ID: agm002201458 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_33_spg12
HfBr HfBr4
2018-07-01 09:05:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201458).
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 agm002201458
data_agm002201458
_cell_length_a 6.48627
_cell_length_b 6.48666
_cell_length_c 7.37364
_cell_angle_alpha 97.95466
_cell_angle_beta 97.96842
_cell_angle_gamma 117.56534
_cell_volume 265.02044
_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
Hf1 Hf 0.86076 0.13921 0.00001 1.00000
Hf2 Hf 0.13924 0.86079 0.99999 1.00000
Br1 Br 0.91998 0.57021 0.21179 1.00000
Br2 Br 0.57025 0.91997 0.21177 1.00000
Br3 Br 0.76399 0.76402 0.74220 1.00000
Br4 Br 0.23601 0.23598 0.25780 1.00000
Br5 Br 0.42975 0.08003 0.78823 1.00000
Br6 Br 0.08002 0.42979 0.78821 1.00000
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