Ni4IrRh5
Alexandria ALEXAlex-ID: agm006116587 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_507_spg71
IrRh6 Ni NiIr
2023-10-17 17:31:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116587).
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 agm006116587
data_agm006116587
_cell_length_a 4.21354
_cell_length_b 6.28875
_cell_length_c 6.28875
_cell_angle_alpha 77.76032
_cell_angle_beta 70.42711
_cell_angle_gamma 70.42710
_cell_volume 146.99965
_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 0.25000 0.32898 0.67102 1.00000
Ni2 Ni 0.58982 0.16018 0.16018 1.00000
Ni3 Ni 0.91018 0.83982 0.83982 1.00000
Ni4 Ni 0.25000 0.67102 0.32898 1.00000
Ir1 Ir 0.25000 0.00000 0.00000 1.00000
Rh1 Rh 0.50780 0.57713 0.90727 1.00000
Rh2 Rh 0.99220 0.09273 0.42287 1.00000
Rh3 Rh 0.75000 0.50000 0.50000 1.00000
Rh4 Rh 0.50780 0.90727 0.57713 1.00000
Rh5 Rh 0.99220 0.42287 0.09273 1.00000
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