Mn3Hg4
Alexandria ALEXAlex-ID: agm005486945 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_125_spg139
Hg Mn
2023-03-18 01:03:52.767990
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486945).
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 agm005486945
data_agm005486945
_cell_length_a 13.77315
_cell_length_b 13.77315
_cell_length_c 13.77315
_cell_angle_alpha 166.94424
_cell_angle_beta 166.94424
_cell_angle_gamma 18.50403
_cell_volume 133.31894
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.72100 0.72100 0.00000 1.00000
Mn3 Mn 0.27900 0.27900 0.00000 1.00000
Hg1 Hg 0.84522 0.84522 0.00000 1.00000
Hg2 Hg 0.56848 0.56848 0.00000 1.00000
Hg3 Hg 0.43152 0.43152 0.00000 1.00000
Hg4 Hg 0.15478 0.15478 0.00000 1.00000
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