In2Hg2BiPb2
Alexandria ALEXAlex-ID: agm004544210 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_307_spg12
In Bi Hg Pb
2022-06-22 05:05:42.652943
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544210).
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 agm004544210
data_agm004544210
_cell_length_a 4.35414
_cell_length_b 6.31479
_cell_length_c 8.97789
_cell_angle_alpha 102.13127
_cell_angle_beta 90.00000
_cell_angle_gamma 110.16698
_cell_volume 225.83536
_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 0.55711 0.11422 0.26005 1.00000
In2 In 0.44289 0.88578 0.73995 1.00000
Hg1 Hg 0.66098 0.32197 0.98496 1.00000
Hg2 Hg 0.33902 0.67803 0.01504 1.00000
Bi1 Bi 0.00000 0.00000 0.50000 1.00000
Pb1 Pb 0.72090 0.44179 0.64306 1.00000
Pb2 Pb 0.27910 0.55821 0.35694 1.00000
Get direct link