Cd3Ni7Ir2
Alexandria ALEXAlex-ID: agm024993233 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
NiIr Ni Cd41Ir8
2025-05-17 05:55:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024993233).
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
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# CIF generated by HEAS from Alexandria entry agm024993233
data_agm024993233
_cell_length_a 8.64847
_cell_length_b 8.64847
_cell_length_c 8.64847
_cell_angle_alpha 32.86550
_cell_angle_beta 32.86550
_cell_angle_gamma 32.86550
_cell_volume 169.48895
_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 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.14329 0.14329 0.14329 1.00000
Cd3 Cd 0.85671 0.85671 0.85671 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.08470 0.58689 0.58689 1.00000
Ni3 Ni 0.58689 0.58689 0.08470 1.00000
Ni4 Ni 0.58689 0.08470 0.58689 1.00000
Ni5 Ni 0.91530 0.41311 0.41311 1.00000
Ni6 Ni 0.41311 0.91530 0.41311 1.00000
Ni7 Ni 0.41311 0.41311 0.91530 1.00000
Ir1 Ir 0.33375 0.33375 0.33375 1.00000
Ir2 Ir 0.66625 0.66625 0.66625 1.00000
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