HgMo2
Alexandria ALEXAlex-ID: agm005474071 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_108_spg71
Mo Hg
2023-03-21 14:49:00.202489
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005474071).
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 agm005474071
data_agm005474071
_cell_length_a 5.50210
_cell_length_b 5.50210
_cell_length_c 5.50210
_cell_angle_alpha 54.64506
_cell_angle_beta 54.64506
_cell_angle_gamma 54.64506
_cell_volume 103.08406
_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 0.83412 0.83412 0.83412 1.00000
Hg2 Hg 0.16588 0.16588 0.16588 1.00000
Mo1 Mo 0.50000 0.50000 0.50000 1.00000
Mo2 Mo 0.66070 0.00000 0.33930 1.00000
Mo3 Mo 0.00000 0.33930 0.66070 1.00000
Mo4 Mo 0.33930 0.66070 0.00000 1.00000
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