Cu(HIr)4
Alexandria ALEXAlex-ID: agm006512192 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_430_spg12
CuH6Ir Cu Ir
2024-02-27 17:07:18.790555
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006512192).
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 agm006512192
data_agm006512192
_cell_length_a 7.97468
_cell_length_b 7.97468
_cell_length_c 6.61186
_cell_angle_alpha 62.77205
_cell_angle_beta 62.77205
_cell_angle_gamma 19.10274
_cell_volume 121.90154
_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
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
H1 H 0.33852 0.33852 0.93826 1.00000
H2 H 0.66148 0.66148 0.06174 1.00000
H3 H 0.15078 0.15078 0.53434 1.00000
H4 H 0.84922 0.84922 0.46566 1.00000
Ir1 Ir 0.08784 0.08784 0.05163 1.00000
Ir2 Ir 0.91216 0.91216 0.94837 1.00000
Ir3 Ir 0.42206 0.42206 0.28578 1.00000
Ir4 Ir 0.57794 0.57794 0.71422 1.00000
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