Al(CuI2)3
Alexandria ALEXAlex-ID: agm002014348 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1219_spg1
AlCuI4 Cu3I4 Cu
2021-09-18 09:52:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002014348).
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 agm002014348
data_agm002014348
_cell_length_a 6.21669
_cell_length_b 8.02285
_cell_length_c 9.22515
_cell_angle_alpha 68.19072
_cell_angle_beta 92.28982
_cell_angle_gamma 112.80347
_cell_volume 390.86924
_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
I1 I 0.90114 0.03176 0.64469 1.00000
I2 I 0.96273 0.05863 0.16637 1.00000
I3 I 0.28284 0.72466 0.49030 1.00000
I4 I 0.28000 0.70551 0.96030 1.00000
I5 I 0.63103 0.40929 0.30642 1.00000
I6 I 0.58490 0.40216 0.82539 1.00000
Al1 Al 0.51834 0.71991 0.73206 1.00000
Cu1 Cu 0.32657 0.07469 0.32358 1.00000
Cu2 Cu 0.76664 0.13188 0.35920 1.00000
Cu3 Cu 0.35837 0.37654 0.08126 1.00000
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