HgBi2Pb5
Alexandria ALEXAlex-ID: agm003467151 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_418_spg63
Hg Bi Pb
2022-02-20 20:53:31.554836
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003467151).
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 agm003467151
data_agm003467151
_cell_length_a 5.88789
_cell_length_b 6.92068
_cell_length_c 13.83357
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 115.17498
_cell_volume 510.14967
_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 0.67219 0.34439 0.75000 1.00000
Hg2 Hg 0.32781 0.65561 0.25000 1.00000
Bi1 Bi 0.83679 0.67358 0.37424 1.00000
Bi2 Bi 0.83679 0.67358 0.12576 1.00000
Bi3 Bi 0.16321 0.32642 0.62576 1.00000
Bi4 Bi 0.16321 0.32642 0.87424 1.00000
Pb1 Pb 0.90290 0.80580 0.87689 1.00000
Pb2 Pb 0.90290 0.80580 0.62311 1.00000
Pb3 Pb 0.36973 0.73947 0.48307 1.00000
Pb4 Pb 0.36973 0.73947 0.01693 1.00000
Pb5 Pb 0.59265 0.18530 0.25000 1.00000
Pb6 Pb 0.40735 0.81470 0.75000 1.00000
Pb7 Pb 0.63027 0.26053 0.51693 1.00000
Pb8 Pb 0.63027 0.26053 0.98307 1.00000
Pb9 Pb 0.09710 0.19420 0.12311 1.00000
Pb10 Pb 0.09710 0.19420 0.37689 1.00000
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