Bi2Ir
Alexandria ALEXAlex-ID: agm002155232 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_189_spg14
Bi3Ir Ir
2018-06-13 05:41:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002155232).
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 agm002155232
data_agm002155232
_cell_length_a 6.89768
_cell_length_b 6.99977
_cell_length_c 7.09100
_cell_angle_alpha 116.00088
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 307.71672
_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
Ir1 Ir 0.49861 0.72687 0.20836 1.00000
Ir2 Ir 0.99861 0.27313 0.29164 1.00000
Ir3 Ir 0.50139 0.27313 0.79164 1.00000
Ir4 Ir 0.00139 0.72687 0.70836 1.00000
Bi1 Bi 0.36055 0.85479 0.62036 1.00000
Bi2 Bi 0.86055 0.14521 0.87964 1.00000
Bi3 Bi 0.63945 0.14521 0.37964 1.00000
Bi4 Bi 0.13945 0.85479 0.12036 1.00000
Bi5 Bi 0.86045 0.65343 0.32373 1.00000
Bi6 Bi 0.36045 0.34657 0.17627 1.00000
Bi7 Bi 0.13955 0.34657 0.67627 1.00000
Bi8 Bi 0.63955 0.65343 0.82373 1.00000
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