NiIr2RuRh2
Alexandria ALEXAlex-ID: agm004746591 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_305_spg11
IrRh6 Ir2Rh5 NiIr IrRu3
2022-07-11 12:49:42.745727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004746591).
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 agm004746591
data_agm004746591
_cell_length_a 5.30656
_cell_length_b 5.03105
_cell_length_c 6.48633
_cell_angle_alpha 97.59211
_cell_angle_beta 90.00002
_cell_angle_gamma 89.99999
_cell_volume 171.65118
_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
Ni1 Ni 0.75000 0.29573 0.85396 1.00000
Ni2 Ni 0.25000 0.70427 0.14604 1.00000
Ir1 Ir 0.25000 0.00269 0.49510 1.00000
Ir2 Ir 0.25000 0.50447 0.49533 1.00000
Ir3 Ir 0.75000 0.99731 0.50490 1.00000
Ir4 Ir 0.75000 0.49553 0.50467 1.00000
Ru1 Ru 0.25000 0.30128 0.84943 1.00000
Ru2 Ru 0.75000 0.69872 0.15057 1.00000
Rh1 Rh 0.50014 0.19959 0.18196 1.00000
Rh2 Rh 0.99986 0.19959 0.18196 1.00000
Rh3 Rh 0.00014 0.80041 0.81804 1.00000
Rh4 Rh 0.49986 0.80041 0.81804 1.00000
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