Al(H3I)2
Alexandria ALEXAlex-ID: agm097853404 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1508_spg12
AlH9 H9I AlI3
2025-04-30 09:47:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097853404).
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
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# CIF generated by HEAS from Alexandria entry agm097853404
data_agm097853404
_cell_length_a 5.30024
_cell_length_b 3.94391
_cell_length_c 10.34376
_cell_angle_alpha 77.11736
_cell_angle_beta 69.41947
_cell_angle_gamma 83.22171
_cell_volume 197.14150
_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 0.36825 0.32672 0.68414 1.00000
H1 H 0.48927 0.41503 0.83711 1.00000
H2 H 0.60956 0.55404 0.56728 1.00000
H3 H 0.46849 0.62044 0.81157 1.00000
H4 H 0.45345 0.14734 0.31913 1.00000
H5 H 0.07529 0.50405 0.74933 1.00000
H6 H 0.98449 0.68193 0.23485 1.00000
I1 I 0.88828 0.97394 0.11735 1.00000
I2 I 0.16292 0.27650 0.42924 1.00000
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