Er(AlI4)2
Alexandria ALEXAlex-ID: agm003523913 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_38_spg12
AlI3 Al ErI3
2022-03-13 16:10:24.329393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523913).
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 agm003523913
data_agm003523913
_cell_length_a 7.22088
_cell_length_b 8.97502
_cell_length_c 8.97502
_cell_angle_alpha 77.10326
_cell_angle_beta 83.20771
_cell_angle_gamma 83.20771
_cell_volume 560.45547
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.65335 0.80586 0.80586 1.00000
Al2 Al 0.34665 0.19414 0.19414 1.00000
I1 I 0.22606 0.27446 0.91511 1.00000
I2 I 0.77394 0.08489 0.72554 1.00000
I3 I 0.27850 0.81242 0.81242 1.00000
I4 I 0.72150 0.18758 0.18758 1.00000
I5 I 0.22606 0.91511 0.27446 1.00000
I6 I 0.77394 0.72554 0.08489 1.00000
I7 I 0.79704 0.62955 0.62955 1.00000
I8 I 0.20296 0.37045 0.37045 1.00000
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