Ni2Bi6Ir
Alexandria ALEXAlex-ID: agm003494587 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1057_spg14
NiBi2 Bi3Ir NiIr
2022-03-01 09:05:46.025363
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003494587).
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 agm003494587
data_agm003494587
_cell_length_a 6.78576
_cell_length_b 6.56192
_cell_length_c 10.08845
_cell_angle_alpha 90.00000
_cell_angle_beta 86.40262
_cell_angle_gamma 90.00000
_cell_volume 448.32974
_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 0.98061 0.32442 0.69313 1.00000
Ni2 Ni 0.51939 0.82442 0.80687 1.00000
Ni3 Ni 0.48061 0.17558 0.19313 1.00000
Ni4 Ni 0.01939 0.67558 0.30687 1.00000
Bi1 Bi 0.84489 0.02975 0.25305 1.00000
Bi2 Bi 0.80008 0.63108 0.55931 1.00000
Bi3 Bi 0.86465 0.61418 0.88314 1.00000
Bi4 Bi 0.63535 0.11418 0.61686 1.00000
Bi5 Bi 0.69992 0.13108 0.94069 1.00000
Bi6 Bi 0.65511 0.52975 0.24695 1.00000
Bi7 Bi 0.15511 0.97025 0.74695 1.00000
Bi8 Bi 0.19992 0.36892 0.44069 1.00000
Bi9 Bi 0.13535 0.38582 0.11686 1.00000
Bi10 Bi 0.36465 0.88582 0.38314 1.00000
Bi11 Bi 0.30008 0.86892 0.05931 1.00000
Bi12 Bi 0.34489 0.47025 0.75305 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
Ir2 Ir 0.00000 0.00000 0.50000 1.00000
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