Ho3Hg2Ir
Alexandria ALEXAlex-ID: agm003419082 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_976_spg15
Ho6Hg5Ir Ho2HgIr
2022-02-13 09:18:23.837750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003419082).
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 agm003419082
data_agm003419082
_cell_length_a 5.46027
_cell_length_b 7.66665
_cell_length_c 8.09332
_cell_angle_alpha 96.65073
_cell_angle_beta 109.71440
_cell_angle_gamma 90.00000
_cell_volume 316.52061
_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 0.49998 0.25000 0.00000 1.00000
Ho2 Ho 0.50002 0.75000 1.00000 1.00000
Ho3 Ho 0.13074 0.02850 0.26154 1.00000
Ho4 Ho 0.86920 0.47150 0.73846 1.00000
Ho5 Ho 0.13080 0.52850 0.26154 1.00000
Ho6 Ho 0.86926 0.97150 0.73846 1.00000
Hg1 Hg 0.69843 0.68305 0.39678 1.00000
Hg2 Hg 0.69835 0.18305 0.39678 1.00000
Hg3 Hg 0.30165 0.81695 0.60322 1.00000
Hg4 Hg 0.30157 0.31695 0.60322 1.00000
Ir1 Ir 0.00002 0.75000 0.00000 1.00000
Ir2 Ir 0.99998 0.25000 1.00000 1.00000
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