InIr2
Alexandria ALEXAlex-ID: agm005446434 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_1930_spg74
In2Ir Ir
2023-03-21 06:19:50.656674
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005446434).
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 agm005446434
data_agm005446434
_cell_length_a 6.32346
_cell_length_b 6.32346
_cell_length_c 5.88948
_cell_angle_alpha 73.16361
_cell_angle_beta 73.16361
_cell_angle_gamma 26.12240
_cell_volume 98.99803
_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
In1 In 0.15210 0.15210 0.40788 1.00000
In2 In 0.84790 0.84790 0.59212 1.00000
Ir1 Ir 0.50351 0.50351 0.77570 1.00000
Ir2 Ir 0.82988 0.82988 0.09254 1.00000
Ir3 Ir 0.49649 0.49649 0.22430 1.00000
Ir4 Ir 0.17012 0.17012 0.90746 1.00000
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