CrNi5Ir4
Alexandria ALEXAlex-ID: agm006123719 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_322_spg12
NiIr CrIr3 Ni
2023-10-11 01:29:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123719).
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 agm006123719
data_agm006123719
_cell_length_a 3.88823
_cell_length_b 7.91225
_cell_length_c 9.21518
_cell_angle_alpha 148.91228
_cell_angle_beta 102.17913
_cell_angle_gamma 90.00000
_cell_volume 133.61008
_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
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
Ni1 Ni 0.18587 0.33009 0.37173 1.00000
Ni2 Ni 0.17416 0.88118 0.34831 1.00000
Ni3 Ni 0.82584 0.11882 0.65169 1.00000
Ni4 Ni 0.50000 0.50000 0.00000 1.00000
Ni5 Ni 0.81413 0.66991 0.62827 1.00000
Ir1 Ir 0.67374 0.09509 0.34748 1.00000
Ir2 Ir 0.03399 0.31181 0.06799 1.00000
Ir3 Ir 0.32626 0.90491 0.65252 1.00000
Ir4 Ir 0.96601 0.68819 0.93201 1.00000
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