Sr3HgBi2
Alexandria ALEXAlex-ID: agm005753339 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1912_spg62
SrHg3 Sr5Bi4 Sr16Bi11
2023-08-25 03:08:29.831652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753339).
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 agm005753339
data_agm005753339
_cell_length_a 5.00225
_cell_length_b 13.48830
_cell_length_c 13.35946
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 901.38831
_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 0.25000 0.38380 0.05123 1.00000
Sr2 Sr 0.75000 0.61620 0.94877 1.00000
Sr3 Sr 0.75000 0.88380 0.44877 1.00000
Sr4 Sr 0.25000 0.11620 0.55123 1.00000
Sr5 Sr 0.25000 0.69394 0.20063 1.00000
Sr6 Sr 0.75000 0.30606 0.79937 1.00000
Sr7 Sr 0.75000 0.19394 0.29937 1.00000
Sr8 Sr 0.25000 0.80606 0.70063 1.00000
Sr9 Sr 0.25000 0.44450 0.37242 1.00000
Sr10 Sr 0.75000 0.55550 0.62758 1.00000
Sr11 Sr 0.75000 0.94450 0.12758 1.00000
Sr12 Sr 0.25000 0.05550 0.87242 1.00000
Hg1 Hg 0.25000 0.18415 0.16290 1.00000
Hg2 Hg 0.75000 0.81585 0.83710 1.00000
Hg3 Hg 0.75000 0.68415 0.33710 1.00000
Hg4 Hg 0.25000 0.31585 0.66290 1.00000
Bi1 Bi 0.25000 0.67500 0.48762 1.00000
Bi2 Bi 0.75000 0.32500 0.51238 1.00000
Bi3 Bi 0.75000 0.17500 0.01238 1.00000
Bi4 Bi 0.25000 0.82500 0.98762 1.00000
Bi5 Bi 0.25000 0.99680 0.31325 1.00000
Bi6 Bi 0.75000 0.00320 0.68675 1.00000
Bi7 Bi 0.75000 0.49680 0.18675 1.00000
Bi8 Bi 0.25000 0.50320 0.81325 1.00000
