CdIr2
Alexandria ALEXAlex-ID: agm005448113 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_36_spg12
Cd41Ir8 Ir
2023-03-19 08:08:33.868569
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005448113).
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 agm005448113
data_agm005448113
_cell_length_a 5.19835
_cell_length_b 5.19835
_cell_length_c 5.19835
_cell_angle_alpha 103.28626
_cell_angle_beta 103.28626
_cell_angle_gamma 122.70865
_cell_volume 103.73177
_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 0.75000 0.75000 0.00000 1.00000
Cd2 Cd 0.25000 0.25000 0.00000 1.00000
Ir1 Ir 0.36627 0.86627 0.23254 1.00000
Ir2 Ir 0.86627 0.63373 0.50000 1.00000
Ir3 Ir 0.13373 0.36627 0.50000 1.00000
Ir4 Ir 0.63373 0.13373 0.76746 1.00000
