In2HIr6Ru
Alexandria ALEXAlex-ID: agm007661807 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_224_spg148
In2Ir Ir4Ru Ir7Ru InH3Ir
2024-06-24 12:01:54.330818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007661807).
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 agm007661807
data_agm007661807
_cell_length_a 5.24428
_cell_length_b 5.24428
_cell_length_c 7.65987
_cell_angle_alpha 61.98682
_cell_angle_beta 61.98682
_cell_angle_gamma 60.34924
_cell_volume 153.70374
_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 0.20059 0.23753 0.41060 1.00000
In2 In 0.76247 0.79941 0.58940 1.00000
H1 H 0.23980 0.76020 0.00000 1.00000
Ir1 Ir 0.28415 0.89878 0.19298 1.00000
Ir2 Ir 0.83396 0.81493 0.18179 1.00000
Ir3 Ir 0.75346 0.39227 0.12397 1.00000
Ir4 Ir 0.10122 0.71585 0.80702 1.00000
Ir5 Ir 0.18507 0.16604 0.81821 1.00000
Ir6 Ir 0.60773 0.24654 0.87603 1.00000
Ru1 Ru 0.53190 0.46810 0.50000 1.00000
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