Ac(In2Sn)6
Alexandria ALEXAlex-ID: agm003684516 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_10_spg166
AcSn5 Sn In
2022-04-12 22:58:50.658617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003684516).
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 agm003684516
data_agm003684516
_cell_length_a 8.72755
_cell_length_b 8.72755
_cell_length_c 8.72755
_cell_angle_alpha 105.99667
_cell_angle_beta 105.99667
_cell_angle_gamma 105.99667
_cell_volume 568.10616
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
In1 In 0.89151 0.10849 0.50000 1.00000
In2 In 0.86996 0.63196 0.63196 1.00000
In3 In 0.63196 0.63196 0.86996 1.00000
In4 In 0.36804 0.13004 0.36804 1.00000
In5 In 0.36804 0.36804 0.13004 1.00000
In6 In 0.13004 0.36804 0.36804 1.00000
In7 In 0.10849 0.50000 0.89151 1.00000
In8 In 0.50000 0.89151 0.10849 1.00000
In9 In 0.10849 0.89151 0.50000 1.00000
In10 In 0.89151 0.50000 0.10849 1.00000
In11 In 0.50000 0.10849 0.89151 1.00000
In12 In 0.63196 0.86996 0.63196 1.00000
Sn1 Sn 0.72018 0.30329 0.30329 1.00000
Sn2 Sn 0.30329 0.30329 0.72018 1.00000
Sn3 Sn 0.30329 0.72018 0.30329 1.00000
Sn4 Sn 0.69671 0.69671 0.27982 1.00000
Sn5 Sn 0.27982 0.69671 0.69671 1.00000
Sn6 Sn 0.69671 0.27982 0.69671 1.00000
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