Ba(AcSn3)2
Alexandria ALEXAlex-ID: agm005607093 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_302_spg191
Ac3Sn5 BaSn2 AcSn3
2023-07-09 14:33:41.746411
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607093).
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 agm005607093
data_agm005607093
_cell_length_a 4.52493
_cell_length_b 8.83054
_cell_length_c 8.83056
_cell_angle_alpha 120.00002
_cell_angle_beta 89.99992
_cell_angle_gamma 90.00004
_cell_volume 305.57566
_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
Ba1 Ba 0.00000 0.00000 1.00000 1.00000
Ac1 Ac 0.00000 0.33333 0.66667 1.00000
Ac2 Ac 1.00000 0.66667 0.33333 1.00000
Sn1 Sn 0.50000 0.33642 0.33642 1.00000
Sn2 Sn 0.50000 0.66358 0.66358 1.00000
Sn3 Sn 0.50000 1.00000 0.66358 1.00000
Sn4 Sn 0.50000 0.66358 1.00000 1.00000
Sn5 Sn 0.50000 0.33642 1.00000 1.00000
Sn6 Sn 0.50000 1.00000 0.33642 1.00000
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