Ho2Mg3Hg4
Alexandria ALEXAlex-ID: agm003336293 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_75_spg64
HoMg3Hg2 HoMgHg2
2022-01-29 20:59:22.044556
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336293).
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 agm003336293
data_agm003336293
_cell_length_a 6.28421
_cell_length_b 8.02470
_cell_length_c 8.96834
_cell_angle_alpha 90.00000
_cell_angle_beta 110.50904
_cell_angle_gamma 90.00000
_cell_volume 423.59748
_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
Ho1 Ho 0.10036 0.59195 0.20073 1.00000
Ho2 Ho 0.89964 0.40805 0.79927 1.00000
Ho3 Ho 0.39964 0.09195 0.79927 1.00000
Ho4 Ho 0.60036 0.90805 0.20073 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.50000 0.50000 0.00000 1.00000
Mg3 Mg 0.52027 0.75000 0.54055 1.00000
Mg4 Mg 0.97973 0.25000 0.45945 1.00000
Mg5 Mg 0.47973 0.25000 0.45945 1.00000
Mg6 Mg 0.02027 0.75000 0.54055 1.00000
Hg1 Hg 0.69148 0.75000 0.88296 1.00000
Hg2 Hg 0.80852 0.25000 0.11704 1.00000
Hg3 Hg 0.30852 0.25000 0.11704 1.00000
Hg4 Hg 0.19148 0.75000 0.88296 1.00000
Hg5 Hg 0.16990 0.96056 0.33981 1.00000
Hg6 Hg 0.83010 0.03944 0.66019 1.00000
Hg7 Hg 0.33010 0.46056 0.66019 1.00000
Hg8 Hg 0.66990 0.53944 0.33981 1.00000
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