Tb6Hg5Pb
Alexandria ALEXAlex-ID: agm006116811 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
Tb3Hg4 Tb5Pb4 TbHg
2023-09-18 21:27:31.078736
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116811).
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 agm006116811
data_agm006116811
_cell_length_a 5.31547
_cell_length_b 7.47476
_cell_length_c 9.21816
_cell_angle_alpha 113.91911
_cell_angle_beta 106.77287
_cell_angle_gamma 89.99869
_cell_volume 317.68088
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.83126 0.57898 0.66254 1.00000
Tb2 Tb 0.83137 0.08357 0.66255 1.00000
Tb3 Tb 0.49991 0.74517 0.99998 1.00000
Tb4 Tb 0.50009 0.25483 0.00002 1.00000
Tb5 Tb 0.16863 0.91643 0.33745 1.00000
Tb6 Tb 0.16874 0.42102 0.33746 1.00000
Hg1 Hg 0.67090 0.17028 0.34060 1.00000
Hg2 Hg 0.33323 0.33295 0.66596 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.66677 0.66705 0.33404 1.00000
Hg5 Hg 0.32910 0.82972 0.65940 1.00000
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