TbHg2Bi3
Alexandria ALEXAlex-ID: agm040778331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2512_spg10
Bi Hg TbBi
2025-04-14 09:28:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040778331).
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
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# CIF generated by HEAS from Alexandria entry agm040778331
data_agm040778331
_cell_length_a 7.72451
_cell_length_b 7.72451
_cell_length_c 11.18498
_cell_angle_alpha 88.08955
_cell_angle_beta 91.91045
_cell_angle_gamma 34.31653
_cell_volume 373.83846
_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
Tb1 Tb 0.65140 0.65140 0.00000 1.00000
Tb2 Tb 0.34860 0.34860 0.00000 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
Hg3 Hg 0.33508 0.33508 0.50000 1.00000
Hg4 Hg 0.66492 0.66492 0.50000 1.00000
Bi1 Bi 0.56147 0.43853 0.23217 1.00000
Bi2 Bi 0.43853 0.56147 0.76783 1.00000
Bi3 Bi 0.88960 0.77129 0.21851 1.00000
Bi4 Bi 0.22871 0.11040 0.21851 1.00000
Bi5 Bi 0.77129 0.88960 0.78149 1.00000
Bi6 Bi 0.11040 0.22871 0.78149 1.00000
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