Al3H2Br5
Alexandria ALEXAlex-ID: agm006358740 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_678_spg2
AlH3 Al AlBr3
2024-02-26 10:39:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006358740).
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 agm006358740
data_agm006358740
_cell_length_a 7.51537
_cell_length_b 7.13803
_cell_length_c 12.60195
_cell_angle_alpha 97.72668
_cell_angle_beta 80.42593
_cell_angle_gamma 82.83957
_cell_volume 653.04268
_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
Al1 Al 0.43740 0.31006 0.22822 1.00000
Al2 Al 0.22418 0.82698 0.70561 1.00000
Al3 Al 0.56260 0.68994 0.77178 1.00000
Al4 Al 0.77582 0.17302 0.29439 1.00000
Al5 Al 0.02999 0.02194 0.13396 1.00000
Al6 Al 0.97001 0.97806 0.86604 1.00000
H1 H 0.55142 0.67660 0.89619 1.00000
H2 H 0.57315 0.11824 0.25320 1.00000
H3 H 0.44858 0.32340 0.10381 1.00000
H4 H 0.42685 0.88176 0.74680 1.00000
Br1 Br 0.16576 0.37942 0.34932 1.00000
Br2 Br 0.91683 0.77701 0.01048 1.00000
Br3 Br 0.83424 0.62058 0.65068 1.00000
Br4 Br 0.08317 0.22299 0.98952 1.00000
Br5 Br 0.24882 0.90897 0.53673 1.00000
Br6 Br 0.75118 0.09103 0.46327 1.00000
Br7 Br 0.65518 0.51021 0.29843 1.00000
Br8 Br 0.34482 0.48979 0.70157 1.00000
Br9 Br 0.68611 0.12119 0.84901 1.00000
Br10 Br 0.31389 0.87881 0.15099 1.00000
