Ac3SnCl3
Alexandria ALEXAlex-ID: agm003548482 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_11_spg148
Ac5Sn3 Ac AcCl3
2022-03-23 10:07:53.042583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003548482).
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 agm003548482
data_agm003548482
_cell_length_a 8.24127
_cell_length_b 8.24127
_cell_length_c 9.74646
_cell_angle_alpha 64.98962
_cell_angle_beta 64.98962
_cell_angle_gamma 60.00000
_cell_volume 500.32230
_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 0.26469 0.59217 0.21463 1.00000
Ac2 Ac 0.92851 0.26469 0.21463 1.00000
Ac3 Ac 0.59217 0.92851 0.21463 1.00000
Ac4 Ac 0.40783 0.07149 0.78537 1.00000
Ac5 Ac 0.07149 0.73531 0.78537 1.00000
Ac6 Ac 0.73531 0.40783 0.78537 1.00000
Sn1 Sn 0.33336 0.33336 0.99991 1.00000
Sn2 Sn 0.66664 0.66664 0.00009 1.00000
Cl1 Cl 0.45998 0.79425 0.61802 1.00000
Cl2 Cl 0.79425 0.12775 0.61802 1.00000
Cl3 Cl 0.12775 0.45998 0.61802 1.00000
Cl4 Cl 0.87225 0.54002 0.38198 1.00000
Cl5 Cl 0.20575 0.87225 0.38198 1.00000
Cl6 Cl 0.54002 0.20575 0.38198 1.00000
Get direct link