NiIrPd
Alexandria ALEXAlex-ID: agm005667677 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_684_spg38
NiIr Pd
2023-06-19 11:27:36.766375
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667677).
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 agm005667677
data_agm005667677
_cell_length_a 2.64710
_cell_length_b 4.01037
_cell_length_c 8.25363
_cell_angle_alpha 89.98902
_cell_angle_beta 99.23334
_cell_angle_gamma 90.00007
_cell_volume 86.48395
_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 0.85869 0.75021 0.71734 1.00000
Ni2 Ni 0.14131 0.24979 0.28266 1.00000
Ir1 Ir 0.70528 0.74989 0.41055 1.00000
Ir2 Ir 0.29472 0.25011 0.58945 1.00000
Pd1 Pd 0.05147 0.74989 0.10301 1.00000
Pd2 Pd 0.94853 0.25011 0.89699 1.00000
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