TiH8Ru
Alexandria ALEXAlex-ID: agm081453085 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_201_spg42
TiH2 TiH4Ru3 H2
2025-05-27 08:50:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081453085).
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
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# CIF generated by HEAS from Alexandria entry agm081453085
data_agm081453085
_cell_length_a 3.86911
_cell_length_b 4.17966
_cell_length_c 4.84020
_cell_angle_alpha 115.06809
_cell_angle_beta 112.67142
_cell_angle_gamma 93.08778
_cell_volume 63.17508
_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
Ti1 Ti 0.10795 0.01086 0.86083 1.00000
H1 H 0.96943 0.19466 0.22082 1.00000
H2 H 0.69646 0.81343 0.92062 1.00000
H3 H 0.11183 0.63555 0.45367 1.00000
H4 H 0.22866 0.53333 0.87882 1.00000
H5 H 0.52859 0.08529 0.29469 1.00000
H6 H 0.65621 0.62219 0.46886 1.00000
H7 H 0.10995 0.98514 0.45941 1.00000
H8 H 0.68374 0.23522 0.85998 1.00000
Ru1 Ru 0.40719 0.38433 0.58231 1.00000
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