K(In2Ir)4
Alexandria ALEXAlex-ID: agm097966035 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1277_spg6
KIn3Ir In2Ir Ir
2025-06-16 07:46:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097966035).
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 agm097966035
data_agm097966035
_cell_length_a 4.40708
_cell_length_b 9.61370
_cell_length_c 8.87802
_cell_angle_alpha 62.14810
_cell_angle_beta 90.00095
_cell_angle_gamma 90.00384
_cell_volume 332.57344
_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
K1 K 0.99998 0.93261 0.15137 1.00000
In1 In 0.50006 0.15424 0.26318 1.00000
In2 In 0.49999 0.67267 0.04424 1.00000
In3 In 0.00002 0.77576 0.57923 1.00000
In4 In 0.00002 0.18707 0.71620 1.00000
In5 In 0.49995 0.53157 0.47332 1.00000
In6 In 0.00011 0.40120 0.27845 1.00000
In7 In 0.49991 0.39136 0.89831 1.00000
In8 In 0.50003 0.98532 0.66759 1.00000
Ir1 Ir 0.00001 0.85381 0.84334 1.00000
Ir2 Ir 0.99994 0.55613 0.93466 1.00000
Ir3 Ir 0.99992 0.47185 0.68429 1.00000
Ir4 Ir 0.00005 0.08642 0.46582 1.00000
Get direct link