NbIr3Ru
Alexandria ALEXAlex-ID: agm005873573 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2808_spg166
NbIr3 Ru
2023-07-04 20:25:58.995313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005873573).
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 agm005873573
data_agm005873573
_cell_length_a 5.34290
_cell_length_b 5.34290
_cell_length_c 5.13148
_cell_angle_alpha 58.62748
_cell_angle_beta 58.62748
_cell_angle_gamma 59.99999
_cell_volume 101.38011
_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 0.47500 0.47500 0.57500 1.00000
Ir1 Ir 0.47500 0.97501 0.57499 1.00000
Ir2 Ir 0.97501 0.47500 0.57499 1.00000
Ir3 Ir 0.97501 0.97501 0.57499 1.00000
Ru1 Ru 0.97499 0.97499 0.07503 1.00000
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