Ba2Sn2Hg3
Alexandria ALEXAlex-ID: agm003303554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_207_spg12
BaSnHg3 BaSnHg
2022-02-03 23:22:51.064371
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003303554).
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 agm003303554
data_agm003303554
_cell_length_a 5.08783
_cell_length_b 6.67636
_cell_length_c 7.50623
_cell_angle_alpha 104.72880
_cell_angle_beta 90.00000
_cell_angle_gamma 112.39769
_cell_volume 226.64994
_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 0.86413 0.72825 0.23271 1.00000
Ba2 Ba 0.13587 0.27175 0.76729 1.00000
Sn1 Sn 0.83556 0.67111 0.72574 1.00000
Sn2 Sn 0.16444 0.32889 0.27426 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Hg2 Hg 0.60129 0.20258 0.43053 1.00000
Hg3 Hg 0.39871 0.79742 0.56947 1.00000
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