LaTl2Hg
Alexandria ALEXAlex-ID: agm005685778 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_52_spg139
LaTl3 LaHg3
2023-07-12 04:36:39.177709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685778).
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 agm005685778
data_agm005685778
_cell_length_a 5.01648
_cell_length_b 5.01648
_cell_length_c 9.70064
_cell_angle_alpha 104.98489
_cell_angle_beta 104.98490
_cell_angle_gamma 90.00001
_cell_volume 227.21164
_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 0.13145 0.13145 0.26289 1.00000
La2 La 0.86855 0.86855 0.73711 1.00000
Tl1 Tl 0.00000 0.50000 0.00000 1.00000
Tl2 Tl 0.50000 0.00000 0.00000 1.00000
Tl3 Tl 0.36568 0.36568 0.73136 1.00000
Tl4 Tl 0.63432 0.63432 0.26864 1.00000
Hg1 Hg 0.25000 0.75000 0.50000 1.00000
Hg2 Hg 0.75000 0.25000 0.50000 1.00000
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