U2Mn3Hg2
Alexandria ALEXAlex-ID: agm010102402 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_43_spg166
UMn Mn Hg
2024-05-29 22:44:35.793638
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010102402).
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 agm010102402
data_agm010102402
_cell_length_a 11.17462
_cell_length_b 11.17462
_cell_length_c 3.01867
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 159.90369
_cell_volume 129.51880
_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
U1 U 0.79164 0.20836 0.50000 1.00000
U2 U 0.20836 0.79164 0.50000 1.00000
Mn1 Mn 0.66914 0.33086 0.00000 1.00000
Mn2 Mn 0.50000 0.50000 0.00000 1.00000
Mn3 Mn 0.33086 0.66914 0.00000 1.00000
Hg1 Hg 0.92897 0.07103 0.50000 1.00000
Hg2 Hg 0.07103 0.92897 0.50000 1.00000
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