Ac2SnBi6
Alexandria ALEXAlex-ID: agm003501271 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_681_spg38
AcBi3 Sn
2022-03-10 22:16:50.573003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003501271).
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 agm003501271
data_agm003501271
_cell_length_a 4.55516
_cell_length_b 7.73755
_cell_length_c 9.94923
_cell_angle_alpha 112.88307
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 323.07081
_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 0.34109 0.70606 1.00000
Ac2 Ac 0.00000 0.63502 0.29394 1.00000
Sn1 Sn 0.50000 0.91775 1.00000 1.00000
Bi1 Bi 0.50000 0.52502 1.00000 1.00000
Bi2 Bi 0.50000 0.48856 0.50231 1.00000
Bi3 Bi 0.50000 0.98625 0.49769 1.00000
Bi4 Bi 0.00000 0.19221 0.00000 1.00000
Bi5 Bi 0.00000 0.80429 0.69445 1.00000
Bi6 Bi 0.00000 0.10984 0.30555 1.00000
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