In8Hg3Pb4
Alexandria ALEXAlex-ID: agm005698346 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_78_spg12
In Hg Pb
2023-06-29 19:59:21.105341
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698346).
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 agm005698346
data_agm005698346
_cell_length_a 6.45988
_cell_length_b 8.40684
_cell_length_c 8.40684
_cell_angle_alpha 90.38785
_cell_angle_beta 81.70411
_cell_angle_gamma 81.70415
_cell_volume 446.86935
_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
In1 In 0.77824 0.73439 0.73439 1.00000
In2 In 0.00000 0.36125 0.63875 1.00000
In3 In 0.27707 0.74704 0.74704 1.00000
In4 In 0.50000 0.25650 0.74350 1.00000
In5 In 0.50000 0.74350 0.25650 1.00000
In6 In 0.72293 0.25296 0.25296 1.00000
In7 In 1.00000 0.63875 0.36125 1.00000
In8 In 0.22176 0.26561 0.26561 1.00000
Hg1 Hg 0.50000 0.50000 0.00000 1.00000
Hg2 Hg 0.50000 0.00000 0.50000 1.00000
Hg3 Hg 0.50000 0.50000 0.50000 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
Pb2 Pb 0.00000 0.50000 0.00000 1.00000
Pb3 Pb 0.00000 0.00000 0.00000 1.00000
Pb4 Pb 0.00000 0.00000 0.50000 1.00000
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