Ba2Ac3Sn4
Alexandria ALEXAlex-ID: agm003334883 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_315_spg64
Ac5Sn4 Ba2Sn BaSn
2022-01-30 05:01:53.927933
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003334883).
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 agm003334883
data_agm003334883
_cell_length_a 8.07532
_cell_length_b 9.62889
_cell_length_c 10.22796
_cell_angle_alpha 90.00000
_cell_angle_beta 113.25142
_cell_angle_gamma 90.00000
_cell_volume 730.69642
_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 0.10581 0.58226 0.21162 1.00000
Ba2 Ba 0.89419 0.41774 0.78838 1.00000
Ba3 Ba 0.39419 0.08226 0.78838 1.00000
Ba4 Ba 0.60581 0.91774 0.21162 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.50000 0.50000 0.00000 1.00000
Ac3 Ac 0.53764 0.75000 0.57529 1.00000
Ac4 Ac 0.96236 0.25000 0.42471 1.00000
Ac5 Ac 0.46236 0.25000 0.42471 1.00000
Ac6 Ac 0.03764 0.75000 0.57529 1.00000
Sn1 Sn 0.71326 0.75000 0.92652 1.00000
Sn2 Sn 0.78674 0.25000 0.07348 1.00000
Sn3 Sn 0.28674 0.25000 0.07348 1.00000
Sn4 Sn 0.21326 0.75000 0.92652 1.00000
Sn5 Sn 0.18739 0.95445 0.37478 1.00000
Sn6 Sn 0.81261 0.04555 0.62522 1.00000
Sn7 Sn 0.31261 0.45445 0.62522 1.00000
Sn8 Sn 0.68739 0.54555 0.37478 1.00000
Get direct link