InH5Ru
Alexandria ALEXAlex-ID: agm005779280 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_609_spg15
InH5Ru
2023-07-10 00:59:29.358728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779280).
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 agm005779280
data_agm005779280
_cell_length_a 4.64303
_cell_length_b 4.64303
_cell_length_c 6.52471
_cell_angle_alpha 72.56351
_cell_angle_beta 72.56350
_cell_angle_gamma 100.71491
_cell_volume 122.01334
_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 0.06757 0.43243 0.25000 1.00000
In2 In 0.93243 0.56757 0.75000 1.00000
H1 H 0.24776 0.15483 0.11042 1.00000
H2 H 0.32668 0.79053 0.46289 1.00000
H3 H 0.65483 0.74776 0.61042 1.00000
H4 H 0.64584 0.85416 0.25000 1.00000
H5 H 0.70947 0.17332 0.03711 1.00000
H6 H 0.29053 0.82668 0.96289 1.00000
H7 H 0.35416 0.14584 0.75000 1.00000
H8 H 0.34517 0.25224 0.38958 1.00000
H9 H 0.67332 0.20947 0.53711 1.00000
H10 H 0.75224 0.84517 0.88958 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.50000 0.50000 0.50000 1.00000
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