KAcSnI6
Alexandria ALEXAlex-ID: agm005102412 · Space group: P4_2nm (#102)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_13_spg102
K2AcI5 AcI3 SnI2
2022-08-07 20:10:20.367269
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005102412).
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 agm005102412
data_agm005102412
_cell_length_a 7.87049
_cell_length_b 7.87049
_cell_length_c 14.89746
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 922.81675
_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
K1 K 0.50000 0.50000 0.49868 1.00000
K2 K 0.00000 0.00000 0.99868 1.00000
Ac1 Ac 0.50000 0.50000 0.83186 1.00000
Ac2 Ac 0.00000 0.00000 0.33186 1.00000
Sn1 Sn 0.50000 0.50000 0.16563 1.00000
Sn2 Sn 0.00000 0.00000 0.66563 1.00000
I1 I 0.18483 0.81517 0.50419 1.00000
I2 I 0.81517 0.18483 0.50419 1.00000
I3 I 0.31517 0.31517 0.00419 1.00000
I4 I 0.68483 0.68483 0.00419 1.00000
I5 I 0.20971 0.79029 0.17717 1.00000
I6 I 0.79029 0.20971 0.17717 1.00000
I7 I 0.29029 0.29029 0.67717 1.00000
I8 I 0.70971 0.70971 0.67717 1.00000
I9 I 0.79428 0.20572 0.82055 1.00000
I10 I 0.20572 0.79428 0.82055 1.00000
I11 I 0.70572 0.70572 0.32055 1.00000
I12 I 0.29428 0.29428 0.32055 1.00000
Get direct link