Sr2Hg4Bi3
Alexandria ALEXAlex-ID: agm005641130 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_726_spg12
Sr2Bi3 Hg
2023-06-28 23:29:14.294077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641130).
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 agm005641130
data_agm005641130
_cell_length_a 5.22745
_cell_length_b 7.67920
_cell_length_c 9.93231
_cell_angle_alpha 58.18210
_cell_angle_beta 89.99972
_cell_angle_gamma 109.89906
_cell_volume 310.42727
_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
Sr1 Sr 0.32799 0.65599 0.22212 1.00000
Sr2 Sr 0.67201 0.34401 0.77788 1.00000
Hg1 Hg 0.76026 0.52052 0.04892 1.00000
Hg2 Hg 0.09952 0.19904 0.62504 1.00000
Hg3 Hg 0.90048 0.80096 0.37496 1.00000
Hg4 Hg 0.23974 0.47948 0.95108 1.00000
Bi1 Bi 0.37550 0.75100 0.56484 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Bi3 Bi 0.62450 0.24900 0.43516 1.00000
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