In6SnI8
Alexandria ALEXAlex-ID: agm005996906 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_96_spg148
SnI2 InI
2023-08-31 04:27:34.974526
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996906).
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 agm005996906
data_agm005996906
_cell_length_a 9.08599
_cell_length_b 9.08599
_cell_length_c 9.08599
_cell_angle_alpha 70.77816
_cell_angle_beta 70.77818
_cell_angle_gamma 70.77818
_cell_volume 647.95313
_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 0.04542 0.46572 0.70090 1.00000
In2 In 0.29910 0.95458 0.53428 1.00000
In3 In 0.53428 0.29910 0.95458 1.00000
In4 In 0.46572 0.70090 0.04542 1.00000
In5 In 0.70090 0.04542 0.46572 1.00000
In6 In 0.95458 0.53428 0.29910 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
I1 I 0.16359 0.66395 0.90589 1.00000
I2 I 0.09411 0.83641 0.33605 1.00000
I3 I 0.33605 0.09411 0.83641 1.00000
I4 I 0.66890 0.66890 0.66890 1.00000
I5 I 0.33110 0.33110 0.33110 1.00000
I6 I 0.66395 0.90589 0.16359 1.00000
I7 I 0.90589 0.16359 0.66395 1.00000
I8 I 0.83641 0.33605 0.09411 1.00000
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