Nb3Ir2Rh
Alexandria ALEXAlex-ID: agm013974635 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_139_spg8
NbIr Nb2Ir NbRh3
2025-01-05 18:44:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013974635).
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 agm013974635
data_agm013974635
_cell_length_a 4.83678
_cell_length_b 4.83678
_cell_length_c 5.62052
_cell_angle_alpha 75.38529
_cell_angle_beta 104.61471
_cell_angle_gamma 129.96543
_cell_volume 96.79215
_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
Nb1 Nb 0.50000 0.50000 0.50000 1.00000
Nb2 Nb 0.16520 0.83480 0.83206 1.00000
Nb3 Nb 0.83480 0.16520 0.16794 1.00000
Ir1 Ir 0.16751 0.83249 0.33085 1.00000
Ir2 Ir 0.83249 0.16751 0.66915 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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