In5Cl6
Alexandria ALEXAlex-ID: agm003293000 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6_9_spg12
In7Cl9 InCl
2022-01-17 02:25:30.367456
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293000).
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 agm003293000
data_agm003293000
_cell_length_a 8.21070
_cell_length_b 7.37629
_cell_length_c 7.68961
_cell_angle_alpha 80.82861
_cell_angle_beta 73.35858
_cell_angle_gamma 56.18179
_cell_volume 370.71564
_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
In1 In 0.50000 0.00000 0.50000 1.00000
In2 In 0.31186 0.37629 0.00000 1.00000
In3 In 0.68814 0.62371 1.00000 1.00000
In4 In 0.14647 0.70705 0.50000 1.00000
In5 In 0.85353 0.29295 0.50000 1.00000
Cl1 Cl 0.67657 1.00000 0.77108 1.00000
Cl2 Cl 0.32343 0.00000 0.22892 1.00000
Cl3 Cl 0.45447 0.67249 0.70633 1.00000
Cl4 Cl 0.87304 0.67249 0.29367 1.00000
Cl5 Cl 0.54553 0.32751 0.29367 1.00000
Cl6 Cl 0.12696 0.32751 0.70633 1.00000
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