Hg4P2I5
Alexandria ALEXAlex-ID: agm005681944 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1046_spg2
HgI2 P HgI
2023-06-22 12:52:53.808323
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681944).
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 agm005681944
data_agm005681944
_cell_length_a 4.34084
_cell_length_b 9.50515
_cell_length_c 11.50253
_cell_angle_alpha 100.60493
_cell_angle_beta 100.25204
_cell_angle_gamma 69.69608
_cell_volume 434.14128
_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 0.48825 0.31256 0.17485 1.00000
Hg2 Hg 0.66252 0.74116 0.17274 1.00000
Hg3 Hg 0.51175 0.68744 0.82515 1.00000
Hg4 Hg 0.33748 0.25884 0.82726 1.00000
P1 P 0.36671 0.61778 0.00183 1.00000
P2 P 0.63329 0.38222 0.99817 1.00000
I1 I 0.11657 0.81169 0.34703 1.00000
I2 I 0.88343 0.18831 0.65297 1.00000
I3 I 0.14217 0.30217 0.34676 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.85783 0.69783 0.65324 1.00000
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