In9(Hg2Pb)2
Alexandria ALEXAlex-ID: agm005647162 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_130_spg2
In Hg Pb
2023-06-15 15:39:11.790552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647162).
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 agm005647162
data_agm005647162
_cell_length_a 3.62922
_cell_length_b 6.58673
_cell_length_c 18.71238
_cell_angle_alpha 107.33431
_cell_angle_beta 86.47401
_cell_angle_gamma 106.61647
_cell_volume 409.02994
_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 0.97654 0.97374 0.30333 1.00000
In2 In 0.02346 0.02626 0.69667 1.00000
In3 In 0.00408 0.02436 0.91237 1.00000
In4 In 0.99592 0.97564 0.08763 1.00000
In5 In 0.33695 0.66418 0.56947 1.00000
In6 In 0.66305 0.33582 0.43053 1.00000
In7 In 0.68001 0.36831 0.04722 1.00000
In8 In 0.31999 0.63169 0.95278 1.00000
In9 In 0.00000 0.00000 0.50000 1.00000
Hg1 Hg 0.32658 0.66364 0.37197 1.00000
Hg2 Hg 0.67342 0.33636 0.62803 1.00000
Hg3 Hg 0.65598 0.30459 0.82978 1.00000
Hg4 Hg 0.34402 0.69541 0.17022 1.00000
Pb1 Pb 0.33306 0.67811 0.76866 1.00000
Pb2 Pb 0.66694 0.32189 0.23134 1.00000
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