Tb2Hg3
Alexandria ALEXAlex-ID: agm014339525 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_3816_spg15
Tb3Hg4 Tb3Hg5
2025-01-16 08:12:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014339525).
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 agm014339525
data_agm014339525
_cell_length_a 8.33036
_cell_length_b 8.33036
_cell_length_c 6.37434
_cell_angle_alpha 77.08238
_cell_angle_beta 102.91762
_cell_angle_gamma 143.75945
_cell_volume 254.16830
_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 0.31002 0.68998 0.18256 1.00000
Tb2 Tb 0.90685 0.09315 0.66477 1.00000
Tb3 Tb 0.68998 0.31002 0.81744 1.00000
Tb4 Tb 0.09315 0.90685 0.33523 1.00000
Hg1 Hg 0.71453 0.28547 0.33685 1.00000
Hg2 Hg 0.89734 0.10266 0.14258 1.00000
Hg3 Hg 0.10266 0.89734 0.85742 1.00000
Hg4 Hg 0.50000 0.50000 0.00000 1.00000
Hg5 Hg 0.28547 0.71453 0.66315 1.00000
Hg6 Hg 0.50000 0.50000 0.50000 1.00000
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