Al(HI2)3
Alexandria ALEXAlex-ID: agm006037620 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_984_spg1
H6I I AlI3
2023-07-11 15:16:50.478176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006037620).
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 agm006037620
data_agm006037620
_cell_length_a 8.21616
_cell_length_b 14.66500
_cell_length_c 7.63147
_cell_angle_alpha 109.27039
_cell_angle_beta 94.41300
_cell_angle_gamma 75.95298
_cell_volume 842.03584
_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 0.87171 0.23079 0.50772 1.00000
Al2 Al 0.58542 0.74590 0.46986 1.00000
H1 H 0.59355 0.00844 0.81590 1.00000
H2 H 0.11026 0.75533 0.87779 1.00000
H3 H 0.28999 0.48444 0.39138 1.00000
H4 H 0.83518 0.68307 0.81162 1.00000
H5 H 0.09353 0.97477 0.15109 1.00000
H6 H 0.71575 0.16800 0.09039 1.00000
I1 I 0.10113 0.63445 0.82213 1.00000
I2 I 0.61290 0.72742 0.81604 1.00000
I3 I 0.98340 0.37624 0.71024 1.00000
I4 I 0.67451 0.90604 0.50121 1.00000
I5 I 0.11660 0.92221 0.91937 1.00000
I6 I 0.57646 0.23254 0.58058 1.00000
I7 I 0.27657 0.75677 0.40361 1.00000
I8 I 0.53707 0.07583 0.03867 1.00000
I9 I 0.07982 0.06638 0.48381 1.00000
I10 I 0.77942 0.59458 0.26480 1.00000
I11 I 0.28196 0.40816 0.18150 1.00000
I12 I 0.85551 0.24864 0.16230 1.00000
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