HgIr4
Alexandria ALEXAlex-ID: agm005407644 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_10_spg139
Ir Hg
2023-03-17 16:00:12.381149
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005407644).
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 agm005407644
data_agm005407644
_cell_length_a 6.80540
_cell_length_b 6.80540
_cell_length_c 6.80540
_cell_angle_alpha 148.36829
_cell_angle_beta 148.36829
_cell_angle_gamma 45.34199
_cell_volume 86.41283
_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 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.25000 0.75000 0.50000 1.00000
Ir2 Ir 0.60167 0.60167 0.00000 1.00000
Ir3 Ir 0.39833 0.39833 0.00000 1.00000
Ir4 Ir 0.75000 0.25000 0.50000 1.00000
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