AlHI3
Alexandria ALEXAlex-ID: agm005754736 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8036_spg14
AlH9 H9I AlI3
2023-07-07 16:48:48.040855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754736).
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 agm005754736
data_agm005754736
_cell_length_a 7.99902
_cell_length_b 12.92299
_cell_length_c 8.20354
_cell_angle_alpha 88.23452
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99999
_cell_volume 847.60786
_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 0.32274 0.56521 0.41190 1.00000
Al2 Al 0.67726 0.43479 0.58810 1.00000
Al3 Al 0.82274 0.93479 0.08810 1.00000
Al4 Al 0.17726 0.06521 0.91190 1.00000
H1 H 0.94832 0.89638 0.70871 1.00000
H2 H 0.05168 0.10362 0.29129 1.00000
H3 H 0.44832 0.60362 0.79129 1.00000
H4 H 0.55168 0.39638 0.20871 1.00000
I1 I 0.15215 0.68875 0.57240 1.00000
I2 I 0.84785 0.31125 0.42760 1.00000
I3 I 0.65215 0.81125 0.92760 1.00000
I4 I 0.34785 0.18875 0.07240 1.00000
I5 I 0.64675 0.61630 0.42512 1.00000
I6 I 0.35325 0.38370 0.57488 1.00000
I7 I 0.14675 0.88370 0.07488 1.00000
I8 I 0.85325 0.11630 0.92512 1.00000
I9 I 0.23408 0.54075 0.12380 1.00000
I10 I 0.76592 0.45925 0.87620 1.00000
I11 I 0.73408 0.95925 0.37620 1.00000
I12 I 0.26592 0.04075 0.62380 1.00000
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