In4Hg2(BiPb)3
Alexandria ALEXAlex-ID: agm004491925 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D4_30_spg71
In Bi Hg Pb
2022-06-18 00:40:16.895373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004491925).
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 agm004491925
data_agm004491925
_cell_length_a 4.78825
_cell_length_b 5.04200
_cell_length_c 15.17869
_cell_angle_alpha 99.56045
_cell_angle_beta 99.94077
_cell_angle_gamma 90.00000
_cell_volume 355.77924
_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 0.58871 0.83624 0.67248 1.00000
In2 In 0.49232 0.24781 0.49562 1.00000
In3 In 0.01174 0.75218 0.50436 1.00000
In4 In 0.91586 0.16378 0.32757 1.00000
Hg1 Hg 0.33892 0.08607 0.17214 1.00000
Hg2 Hg 0.16589 0.91395 0.82791 1.00000
Bi1 Bi 0.25248 0.50000 0.00000 1.00000
Bi2 Bi 0.06792 0.32482 0.64963 1.00000
Bi3 Bi 0.43652 0.67516 0.35032 1.00000
Pb1 Pb 0.75269 1.00000 0.99999 1.00000
Pb2 Pb 0.83971 0.58579 0.17159 1.00000
Pb3 Pb 0.66509 0.41419 0.82839 1.00000
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