Tb6Hg5Rh
Alexandria ALEXAlex-ID: agm006114866 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
Tb6Hg5Rh
2023-09-18 08:47:49.455224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114866).
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 agm006114866
data_agm006114866
_cell_length_a 5.21456
_cell_length_b 7.38097
_cell_length_c 8.23102
_cell_angle_alpha 90.00006
_cell_angle_beta 71.43588
_cell_angle_gamma 90.00017
_cell_volume 300.31637
_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 0.84272 0.75854 0.31482 1.00000
Tb2 Tb 0.84271 0.24146 0.31482 1.00000
Tb3 Tb 0.50000 0.23279 1.00000 1.00000
Tb4 Tb 0.50000 0.76721 0.00000 1.00000
Tb5 Tb 0.15729 0.75854 0.68518 1.00000
Tb6 Tb 0.15728 0.24146 0.68518 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.66986 0.50000 0.66012 1.00000
Hg2 Hg 0.32437 0.00000 0.35214 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.67563 1.00000 0.64786 1.00000
Hg5 Hg 0.33014 0.50000 0.33988 1.00000
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