HgBi2Pb3
Alexandria ALEXAlex-ID: agm018908178 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
Hg Bi Pb
2025-04-14 01:41:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018908178).
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
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# CIF generated by HEAS from Alexandria entry agm018908178
data_agm018908178
_cell_length_a 5.94478
_cell_length_b 6.12114
_cell_length_c 6.25998
_cell_angle_alpha 98.20289
_cell_angle_beta 119.67197
_cell_angle_gamma 102.06870
_cell_volume 185.24691
_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
Hg1 Hg 0.58322 0.75447 0.42386 1.00000
Bi1 Bi 0.24017 0.74874 0.74212 1.00000
Bi2 Bi 0.75254 0.24674 0.25261 1.00000
Pb1 Pb 0.41759 0.24775 0.57396 1.00000
Pb2 Pb 0.91152 0.74482 0.08703 1.00000
Pb3 Pb 0.09496 0.25748 0.92041 1.00000
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