CsAl2InI8
Alexandria ALEXAlex-ID: agm066418822 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
AlInI4 CsAlI4
2025-02-06 20:47:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066418822).
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 agm066418822
data_agm066418822
_cell_length_a 8.34542
_cell_length_b 8.52696
_cell_length_c 10.40264
_cell_angle_alpha 75.73705
_cell_angle_beta 66.20506
_cell_angle_gamma 60.80595
_cell_volume 590.15720
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.25305 0.18159 0.31366 1.00000
Al2 Al 0.74695 0.81841 0.68634 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
I1 I 0.12188 0.17700 0.58003 1.00000
I2 I 0.45765 0.86452 0.22081 1.00000
I3 I 0.87812 0.82300 0.41997 1.00000
I4 I 0.46479 0.35443 0.21465 1.00000
I5 I 0.53521 0.64557 0.78535 1.00000
I6 I 0.96825 0.35455 0.21506 1.00000
I7 I 0.03175 0.64545 0.78494 1.00000
I8 I 0.54235 0.13548 0.77919 1.00000
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