Ti3SbH2
Alexandria ALEXAlex-ID: agm005679976 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_83_spg139
Ti7Sb3H2 TiH2
2023-07-09 22:59:46.398885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679976).
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 agm005679976
data_agm005679976
_cell_length_a 3.61706
_cell_length_b 4.58788
_cell_length_c 5.33690
_cell_angle_alpha 113.76709
_cell_angle_beta 109.80822
_cell_angle_gamma 90.00001
_cell_volume 75.29189
_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 0.00000 0.50000 0.50000 1.00000
Ti2 Ti 0.73861 0.74410 0.97723 1.00000
Ti3 Ti 0.26139 0.25590 0.02277 1.00000
Sb1 Sb 0.50000 0.00000 0.50000 1.00000
H1 H 0.19863 0.59360 0.89726 1.00000
H2 H 0.80137 0.40640 0.10274 1.00000
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