AlI3
Alexandria ALEXAlex-ID: agm070925239 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1201_spg62
AlI3
2024-08-05 15:30:47.765059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070925239).
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 agm070925239
data_agm070925239
_cell_length_a 11.17342
_cell_length_b 11.17342
_cell_length_c 11.17342
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1394.94946
_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 0.62500 0.62500 0.62500 1.00000
Al2 Al 0.87500 0.37500 0.12500 1.00000
Al3 Al 0.37500 0.12500 0.87500 1.00000
Al4 Al 0.12500 0.87500 0.37500 1.00000
I1 I 0.12500 0.71859 0.53141 1.00000
I2 I 0.37500 0.28141 0.03141 1.00000
I3 I 0.87500 0.21859 0.96859 1.00000
I4 I 0.62500 0.78141 0.46859 1.00000
I5 I 0.53141 0.12500 0.71859 1.00000
I6 I 0.03141 0.37500 0.28141 1.00000
I7 I 0.96859 0.87500 0.21859 1.00000
I8 I 0.46859 0.62500 0.78141 1.00000
I9 I 0.71859 0.53141 0.12500 1.00000
I10 I 0.28141 0.03141 0.37500 1.00000
I11 I 0.21859 0.96859 0.87500 1.00000
I12 I 0.78141 0.46859 0.62500 1.00000
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