HgP4
Alexandria ALEXAlex-ID: agm002178129 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_78_spg14
P Hg
2018-06-09 14:37:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002178129).
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 agm002178129
data_agm002178129
_cell_length_a 5.28036
_cell_length_b 5.55515
_cell_length_c 7.87067
_cell_angle_alpha 106.35200
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 221.53294
_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
P1 P 0.58563 0.60236 0.90722 1.00000
P2 P 0.08563 0.39764 0.59278 1.00000
P3 P 0.27974 0.72805 0.76174 1.00000
P4 P 0.77974 0.27195 0.73826 1.00000
P5 P 0.72026 0.27195 0.23826 1.00000
P6 P 0.22026 0.72805 0.26174 1.00000
P7 P 0.91437 0.60236 0.40722 1.00000
P8 P 0.41437 0.39764 0.09278 1.00000
Hg1 Hg 0.50000 0.00000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
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