Ti5In5H2
Alexandria ALEXAlex-ID: agm006355191 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_51_spg12
Ti3InH3 Ti3InH Ti2In5
2024-02-24 07:26:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006355191).
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 agm006355191
data_agm006355191
_cell_length_a 5.42798
_cell_length_b 5.42798
_cell_length_c 10.43090
_cell_angle_alpha 91.06374
_cell_angle_beta 91.06374
_cell_angle_gamma 40.56156
_cell_volume 199.80370
_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 0.08346 0.08346 0.20141 1.00000
Ti2 Ti 0.60074 0.60074 0.69283 1.00000
Ti3 Ti 0.39926 0.39926 0.30717 1.00000
Ti4 Ti 0.91654 0.91654 0.79859 1.00000
Ti5 Ti 0.00000 0.00000 0.50000 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.68842 0.68842 0.40007 1.00000
In3 In 0.79047 0.79047 0.11298 1.00000
In4 In 0.20953 0.20953 0.88702 1.00000
In5 In 0.31158 0.31158 0.59993 1.00000
H1 H 0.04837 0.04837 0.67635 1.00000
H2 H 0.95163 0.95163 0.32365 1.00000
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