La6TlHg5
Alexandria ALEXAlex-ID: agm006111861 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
LaTl LaHg
2023-08-29 21:14:01.970206
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111861).
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 agm006111861
data_agm006111861
_cell_length_a 5.53464
_cell_length_b 7.88056
_cell_length_c 9.58963
_cell_angle_alpha 114.25899
_cell_angle_beta 106.56025
_cell_angle_gamma 90.00493
_cell_volume 362.20921
_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 0.66534 0.16529 0.33058 1.00000
Hg2 Hg 0.33235 0.33285 0.66570 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.66765 0.66715 0.33430 1.00000
Hg5 Hg 0.33466 0.83471 0.66942 1.00000
La1 La 0.83182 0.58023 0.66432 1.00000
La2 La 0.83187 0.08410 0.66433 1.00000
La3 La 0.49996 0.74595 0.00000 1.00000
La4 La 0.50004 0.25405 1.00000 1.00000
La5 La 0.16813 0.91590 0.33567 1.00000
La6 La 0.16818 0.41977 0.33568 1.00000
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