Tb2CdHg5
Alexandria ALEXAlex-ID: agm003469722 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_257_spg139
TbHg3 TbCdHg2
2022-02-20 10:46:18.651908
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469722).
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 agm003469722
data_agm003469722
_cell_length_a 5.10934
_cell_length_b 5.10934
_cell_length_c 8.32622
_cell_angle_alpha 107.86781
_cell_angle_beta 107.86781
_cell_angle_gamma 90.00000
_cell_volume 195.83045
_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 0.74947 0.74947 0.49894 1.00000
Tb2 Tb 0.25053 0.25053 0.50106 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.50000 0.50000 0.00000 1.00000
Hg2 Hg 0.87710 0.37710 0.75421 1.00000
Hg3 Hg 0.37710 0.87710 0.75421 1.00000
Hg4 Hg 0.12290 0.62290 0.24579 1.00000
Hg5 Hg 0.62290 0.12290 0.24579 1.00000
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