La5TlHg6
Alexandria ALEXAlex-ID: agm006111864 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
La3Hg4 La3Tl5 LaTlHg
2023-08-29 17:50:50.711596
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111864).
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 agm006111864
data_agm006111864
_cell_length_a 5.39900
_cell_length_b 7.94759
_cell_length_c 9.57821
_cell_angle_alpha 114.51155
_cell_angle_beta 106.36973
_cell_angle_gamma 90.00045
_cell_volume 355.56048
_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
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.82686 0.55988 0.65371 1.00000
Hg2 Hg 0.82685 0.09384 0.65371 1.00000
Hg3 Hg 0.49999 0.71761 1.00000 1.00000
Hg4 Hg 0.50001 0.28239 0.00000 1.00000
Hg5 Hg 0.17315 0.90616 0.34629 1.00000
Hg6 Hg 0.17314 0.44012 0.34629 1.00000
La1 La 0.63943 0.13943 0.27886 1.00000
La2 La 0.31956 0.31956 0.63911 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
La4 La 0.68044 0.68044 0.36089 1.00000
La5 La 0.36057 0.86057 0.72114 1.00000
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