Cr2Ni4Ir3
Alexandria ALEXAlex-ID: agm005691903 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_842_spg2
CrIr3 Ni CrIr
2023-06-26 23:15:52.023845
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691903).
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 agm005691903
data_agm005691903
_cell_length_a 4.52293
_cell_length_b 6.66293
_cell_length_c 8.02329
_cell_angle_alpha 72.65611
_cell_angle_beta 74.23267
_cell_angle_gamma 89.56420
_cell_volume 221.40185
_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 0.61150 0.86458 0.61036 1.00000
Cr2 Cr 0.83706 0.41874 0.16147 1.00000
Cr3 Cr 0.38850 0.13542 0.38964 1.00000
Cr4 Cr 0.16294 0.58126 0.83853 1.00000
Ni1 Ni 0.49961 0.08639 0.83580 1.00000
Ni2 Ni 0.94325 0.19334 0.94197 1.00000
Ni3 Ni 0.50039 0.91361 0.16420 1.00000
Ni4 Ni 0.05675 0.80666 0.05803 1.00000
Ni5 Ni 0.16693 0.74950 0.49935 1.00000
Ni6 Ni 0.27304 0.52151 0.28026 1.00000
Ni7 Ni 0.83307 0.25050 0.50065 1.00000
Ni8 Ni 0.72696 0.47849 0.71974 1.00000
Ir1 Ir 0.05880 0.97100 0.71971 1.00000
Ir2 Ir 0.39353 0.30183 0.05641 1.00000
Ir3 Ir 0.94120 0.02900 0.28029 1.00000
Ir4 Ir 0.60647 0.69817 0.94359 1.00000
Ir5 Ir 0.27662 0.36437 0.61532 1.00000
Ir6 Ir 0.72338 0.63563 0.38468 1.00000
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