La6Hg5Pb
Alexandria ALEXAlex-ID: agm006116710 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
LaHg La4Pb3 La3Hg4
2023-08-29 20:40:24.634845
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116710).
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 agm006116710
data_agm006116710
_cell_length_a 5.55622
_cell_length_b 7.85781
_cell_length_c 9.62735
_cell_angle_alpha 114.08608
_cell_angle_beta 106.67577
_cell_angle_gamma 89.99863
_cell_volume 364.28365
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.66976 0.16974 0.33948 1.00000
Hg2 Hg 0.33310 0.33316 0.66631 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.66690 0.66684 0.33369 1.00000
Hg5 Hg 0.33024 0.83026 0.66052 1.00000
La1 La 0.83210 0.58115 0.66468 1.00000
La2 La 0.83204 0.08354 0.66468 1.00000
La3 La 0.50005 0.74774 0.00000 1.00000
La4 La 0.49995 0.25226 1.00000 1.00000
La5 La 0.16796 0.91646 0.33532 1.00000
La6 La 0.16790 0.41885 0.33532 1.00000
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