La5TbHg6
Alexandria ALEXAlex-ID: agm062017568 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_91_spg71
TbHg LaHg
2024-12-31 10:15:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062017568).
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 agm062017568
data_agm062017568
_cell_length_a 9.51394
_cell_length_b 9.51394
_cell_length_c 9.51394
_cell_angle_alpha 146.41987
_cell_angle_beta 132.10747
_cell_angle_gamma 59.75912
_cell_volume 350.17981
_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
La1 La 0.32688 0.32688 0.00000 1.00000
La2 La 0.16350 0.66350 0.50000 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
La4 La 0.83650 0.33650 0.50000 1.00000
La5 La 0.67312 0.67312 0.00000 1.00000
Tb1 Tb 0.50000 0.00000 0.50000 1.00000
Hg1 Hg 0.89952 0.16073 0.73879 1.00000
Hg2 Hg 0.42195 0.16073 0.26121 1.00000
Hg3 Hg 0.72853 0.50000 0.22853 1.00000
Hg4 Hg 0.27147 0.50000 0.77147 1.00000
Hg5 Hg 0.57805 0.83927 0.73879 1.00000
Hg6 Hg 0.10048 0.83927 0.26121 1.00000
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