Nb3IrRh2
Alexandria ALEXAlex-ID: agm033994945 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2588_spg12
Nb2Ir Nb3Ir NbRh3
2025-03-29 13:41:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033994945).
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 agm033994945
data_agm033994945
_cell_length_a 4.83070
_cell_length_b 4.83070
_cell_length_c 11.21731
_cell_angle_alpha 75.40384
_cell_angle_beta 104.59616
_cell_angle_gamma 129.89020
_cell_volume 192.91696
_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 0.33339 0.66661 0.08354 1.00000
Nb2 Nb 0.66544 0.33456 0.41608 1.00000
Nb3 Nb 0.00100 0.99900 0.75053 1.00000
Nb4 Nb 0.99900 0.00100 0.24947 1.00000
Nb5 Nb 0.33456 0.66544 0.58392 1.00000
Nb6 Nb 0.66661 0.33339 0.91646 1.00000
Ir1 Ir 0.33327 0.66673 0.83330 1.00000
Ir2 Ir 0.66673 0.33327 0.16670 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.33261 0.66739 0.33449 1.00000
Rh3 Rh 0.66739 0.33261 0.66551 1.00000
Rh4 Rh 0.00000 0.00000 0.50000 1.00000
Get direct link