ThHgPb
Alexandria ALEXAlex-ID: agm005643353 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3_spg194
Th2(HgPb)3 ThHg2Pb Th5Pb4
2023-06-17 13:01:35.126787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643353).
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 agm005643353
data_agm005643353
_cell_length_a 5.39381
_cell_length_b 5.39380
_cell_length_c 6.71611
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.97279
_cell_volume 169.26139
_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
Th1 Th 0.66657 0.83343 0.75000 1.00000
Th2 Th 0.33343 0.16657 0.25000 1.00000
Hg1 Hg 0.33318 0.16682 0.75000 1.00000
Hg2 Hg 0.66682 0.83318 0.25000 1.00000
Pb1 Pb 0.00000 0.50000 0.00000 1.00000
Pb2 Pb 0.00000 0.50000 0.50000 1.00000
