Na(HgBi3)2
Alexandria ALEXAlex-ID: agm005755225 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1055_spg191
Na2Hg2Bi Bi Hg
2023-07-08 19:46:29.304580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755225).
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 agm005755225
data_agm005755225
_cell_length_a 6.57590
_cell_length_b 6.57532
_cell_length_c 9.24836
_cell_angle_alpha 89.83704
_cell_angle_beta 89.67411
_cell_angle_gamma 59.99705
_cell_volume 346.29612
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.33337 0.33325 0.50000 1.00000
Hg2 Hg 0.66663 0.66675 0.50000 1.00000
Bi1 Bi 0.00135 0.50012 0.82848 1.00000
Bi2 Bi 0.50147 0.49988 0.82848 1.00000
Bi3 Bi 0.50159 1.00000 0.82848 1.00000
Bi4 Bi 0.49853 0.50012 0.17152 1.00000
Bi5 Bi 0.99865 0.49988 0.17152 1.00000
Bi6 Bi 0.49841 0.00000 0.17152 1.00000
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