HgHPb
Alexandria ALEXAlex-ID: agm002078221 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_721_spg1
Hg HgH4 Pb
2021-11-09 06:53:47.873491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002078221).
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 agm002078221
data_agm002078221
_cell_length_a 4.77996
_cell_length_b 5.34935
_cell_length_c 6.42138
_cell_angle_alpha 111.66813
_cell_angle_beta 106.04220
_cell_angle_gamma 102.10225
_cell_volume 137.42842
_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 0.50672 0.19767 0.82596 1.00000
Hg2 Hg 0.49328 0.80233 0.17404 1.00000
H1 H 0.97644 0.64854 0.39078 1.00000
H2 H 0.02356 0.35146 0.60922 1.00000
Pb1 Pb 0.13680 0.30816 0.29975 1.00000
Pb2 Pb 0.86320 0.69184 0.70025 1.00000
Get direct link