Mn2Hg2I
Alexandria ALEXAlex-ID: agm002996551 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_10_spg127
Mn Hg MnI2
2016-12-04 04:31:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002996551).
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 agm002996551
data_agm002996551
_cell_length_a 8.77588
_cell_length_b 8.77588
_cell_length_c 3.03641
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 233.85246
_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
I1 I 0.00000 0.00000 0.00000 1.00000
I2 I 0.50000 0.50000 0.00000 1.00000
Mn1 Mn 0.11252 0.61252 0.50000 1.00000
Mn2 Mn 0.61252 0.88748 0.50000 1.00000
Mn3 Mn 0.88748 0.38748 0.50000 1.00000
Mn4 Mn 0.38748 0.11252 0.50000 1.00000
Hg1 Hg 0.32223 0.82223 0.00000 1.00000
Hg2 Hg 0.82223 0.67777 0.00000 1.00000
Hg3 Hg 0.67777 0.17777 0.00000 1.00000
Hg4 Hg 0.17777 0.32223 0.00000 1.00000
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