La2Hg3Pb2
Alexandria ALEXAlex-ID: agm010070834 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_550_spg2
La2Hg3Pb LaHg2Pb La2HgPb5
2024-03-27 14:03:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010070834).
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 agm010070834
data_agm010070834
_cell_length_a 5.34063
_cell_length_b 5.34063
_cell_length_c 8.71932
_cell_angle_alpha 72.01992
_cell_angle_beta 72.01992
_cell_angle_gamma 60.05583
_cell_volume 201.33480
_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 0.58393 0.58393 0.75018 1.00000
La2 La 0.41607 0.41607 0.24982 1.00000
Hg1 Hg 0.28767 0.28767 0.63908 1.00000
Hg2 Hg 0.00000 0.00000 0.50000 1.00000
Hg3 Hg 0.71233 0.71233 0.36092 1.00000
Pb1 Pb 0.15240 0.15240 0.04302 1.00000
Pb2 Pb 0.84760 0.84760 0.95698 1.00000
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