TiNi2SnH8
Alexandria ALEXAlex-ID: agm007476133 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_52_spg2
Ni6Sn5 NiH4 H2 TiH2
2025-04-29 19:04:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007476133).
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 agm007476133
data_agm007476133
_cell_length_a 4.52077
_cell_length_b 4.73442
_cell_length_c 4.98656
_cell_angle_alpha 101.85191
_cell_angle_beta 79.84155
_cell_angle_gamma 85.30887
_cell_volume 102.04143
_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 0.50000 0.00000 0.50000 1.00000
Ni1 Ni 0.44516 0.56092 0.76710 1.00000
Ni2 Ni 0.55484 0.43908 0.23290 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.77630 0.69752 0.22866 1.00000
H2 H 0.66128 0.34367 0.88711 1.00000
H3 H 0.22370 0.30248 0.77134 1.00000
H4 H 0.33872 0.65633 0.11289 1.00000
H5 H 0.67480 0.81807 0.75663 1.00000
H6 H 0.32520 0.18193 0.24337 1.00000
H7 H 0.30172 0.64563 0.50562 1.00000
H8 H 0.69828 0.35437 0.49438 1.00000
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