Cd3(H2Ir)2
Alexandria ALEXAlex-ID: agm005656170 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_930_spg12
Cd2H4Ir Ir Cd41Ir8
2023-06-27 03:55:13.001027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656170).
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 agm005656170
data_agm005656170
_cell_length_a 3.04474
_cell_length_b 5.31999
_cell_length_c 7.92433
_cell_angle_alpha 101.50513
_cell_angle_beta 90.00000
_cell_angle_gamma 106.62823
_cell_volume 120.29638
_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
Cd1 Cd 0.63689 0.27379 0.64973 1.00000
Cd2 Cd 0.00000 0.00000 0.00000 1.00000
Cd3 Cd 0.36311 0.72621 0.35027 1.00000
H1 H 0.71917 0.43834 0.13952 1.00000
H2 H 0.28083 0.56166 0.86048 1.00000
H3 H 0.93254 0.86508 0.64616 1.00000
H4 H 0.06746 0.13492 0.35384 1.00000
Ir1 Ir 0.62412 0.24824 0.28256 1.00000
Ir2 Ir 0.37588 0.75176 0.71744 1.00000
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