Na4Tl2HgBi2
Alexandria ALEXAlex-ID: agm004569486 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_370_spg2
Na3Hg2Bi Na2TlBi NaTl2Bi
2022-06-19 17:25:01.891421
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004569486).
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 agm004569486
data_agm004569486
_cell_length_a 6.07589
_cell_length_b 9.62027
_cell_length_c 6.80861
_cell_angle_alpha 123.12400
_cell_angle_beta 120.18476
_cell_angle_gamma 77.59280
_cell_volume 287.11944
_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 0.65264 0.87267 0.18455 1.00000
Na2 Na 0.70351 0.63140 0.55118 1.00000
Na3 Na 0.34736 0.12733 0.81545 1.00000
Na4 Na 0.29649 0.36860 0.44882 1.00000
Tl1 Tl 0.77263 0.41032 0.00296 1.00000
Tl2 Tl 0.22737 0.58968 0.99704 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.15540 0.74225 0.53263 1.00000
Bi2 Bi 0.84460 0.25775 0.46737 1.00000
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