Ga2HgPb3
Alexandria ALEXAlex-ID: agm005676397 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2434_spg14
Ga Hg Pb
2023-08-18 09:19:35.951434
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676397).
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 agm005676397
data_agm005676397
_cell_length_a 11.74179
_cell_length_b 6.80029
_cell_length_c 8.27490
_cell_angle_alpha 89.99999
_cell_angle_beta 88.72607
_cell_angle_gamma 90.00000
_cell_volume 660.56768
_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
Ga1 Ga 0.72884 0.97670 0.18300 1.00000
Ga2 Ga 0.77116 0.47670 0.31700 1.00000
Ga3 Ga 0.27116 0.02330 0.81700 1.00000
Ga4 Ga 0.22884 0.52330 0.68300 1.00000
Ga5 Ga 0.36389 0.57230 0.40111 1.00000
Ga6 Ga 0.13611 0.07230 0.09889 1.00000
Ga7 Ga 0.63611 0.42770 0.59889 1.00000
Ga8 Ga 0.86389 0.92770 0.90111 1.00000
Hg1 Hg 0.58330 0.80098 0.41978 1.00000
Hg2 Hg 0.91670 0.30098 0.08022 1.00000
Hg3 Hg 0.41670 0.19902 0.58022 1.00000
Hg4 Hg 0.08330 0.69902 0.91978 1.00000
Pb1 Pb 0.38703 0.90465 0.14540 1.00000
Pb2 Pb 0.11297 0.40465 0.35460 1.00000
Pb3 Pb 0.61297 0.09535 0.85460 1.00000
Pb4 Pb 0.88703 0.59535 0.64540 1.00000
Pb5 Pb 0.30934 0.41765 0.03779 1.00000
Pb6 Pb 0.19066 0.91765 0.46221 1.00000
Pb7 Pb 0.69066 0.58235 0.96221 1.00000
Pb8 Pb 0.80934 0.08235 0.53779 1.00000
Pb9 Pb 0.95760 0.79324 0.26207 1.00000
Pb10 Pb 0.54240 0.29324 0.23793 1.00000
Pb11 Pb 0.04240 0.20676 0.73793 1.00000
Pb12 Pb 0.45760 0.70676 0.76207 1.00000
