In3Ag3Ir2
Alexandria ALEXAlex-ID: agm009072991 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_199_spg62
Ir Ag In2Ir
2024-06-28 15:14:59.514859
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009072991).
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 agm009072991
data_agm009072991
_cell_length_a 5.13478
_cell_length_b 9.30633
_cell_length_c 12.63550
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 603.79990
_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 0.40109 0.13207 0.75000 1.00000
In2 In 0.90109 0.36793 0.25000 1.00000
In3 In 0.59891 0.86793 0.25000 1.00000
In4 In 0.09891 0.63207 0.75000 1.00000
In5 In 0.73910 0.36768 0.97347 1.00000
In6 In 0.23910 0.13232 0.02653 1.00000
In7 In 0.26090 0.63232 0.47347 1.00000
In8 In 0.76090 0.86768 0.52653 1.00000
In9 In 0.26090 0.63232 0.02653 1.00000
In10 In 0.76090 0.86768 0.97347 1.00000
In11 In 0.73910 0.36768 0.52653 1.00000
In12 In 0.23910 0.13232 0.47347 1.00000
Ag1 Ag 0.23333 0.38343 0.87509 1.00000
Ag2 Ag 0.73333 0.11657 0.12491 1.00000
Ag3 Ag 0.76667 0.61657 0.37509 1.00000
Ag4 Ag 0.26667 0.88343 0.62491 1.00000
Ag5 Ag 0.76667 0.61657 0.12491 1.00000
Ag6 Ag 0.26667 0.88343 0.87509 1.00000
Ag7 Ag 0.23333 0.38343 0.62491 1.00000
Ag8 Ag 0.73333 0.11657 0.37509 1.00000
Ag9 Ag 0.73921 0.37740 0.75000 1.00000
Ag10 Ag 0.23921 0.12260 0.25000 1.00000
Ag11 Ag 0.26079 0.62260 0.25000 1.00000
Ag12 Ag 0.76079 0.87740 0.75000 1.00000
Ir1 Ir 0.91247 0.12547 0.86028 1.00000
Ir2 Ir 0.41247 0.37453 0.13972 1.00000
Ir3 Ir 0.08753 0.87453 0.36028 1.00000
Ir4 Ir 0.58753 0.62547 0.63972 1.00000
Ir5 Ir 0.08753 0.87453 0.13972 1.00000
Ir6 Ir 0.58753 0.62547 0.86028 1.00000
Ir7 Ir 0.91247 0.12547 0.63972 1.00000
Ir8 Ir 0.41247 0.37453 0.36028 1.00000
