Ti3SbH
Alexandria ALEXAlex-ID: agm003080452 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2374_spg15
Ti3SbH
2016-01-31 01:19:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003080452).
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 agm003080452
data_agm003080452
_cell_length_a 10.30116
_cell_length_b 7.08828
_cell_length_c 7.08828
_cell_angle_alpha 102.97031
_cell_angle_beta 127.98683
_cell_angle_gamma 52.01317
_cell_volume 311.41968
_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
Sb1 Sb 0.75000 0.07368 0.57368 1.00000
Sb2 Sb 0.25000 0.92632 0.42632 1.00000
Sb3 Sb 0.75000 0.60126 0.10126 1.00000
Sb4 Sb 0.25000 0.39874 0.89874 1.00000
H1 H 0.22398 0.39297 0.44608 1.00000
H2 H 0.27602 0.94608 0.89297 1.00000
H3 H 0.77602 0.60703 0.55392 1.00000
H4 H 0.72398 0.05392 0.10703 1.00000
Ti1 Ti 0.32406 0.47522 0.35642 1.00000
Ti2 Ti 0.17594 0.85642 0.97522 1.00000
Ti3 Ti 0.67594 0.52478 0.64358 1.00000
Ti4 Ti 0.82406 0.14358 0.02478 1.00000
Ti5 Ti 0.10884 0.28924 0.13671 1.00000
Ti6 Ti 0.39116 0.63671 0.78924 1.00000
Ti7 Ti 0.89116 0.71076 0.86329 1.00000
Ti8 Ti 0.60884 0.36329 0.21076 1.00000
Ti9 Ti 0.49268 0.10346 0.73689 1.00000
Ti10 Ti 0.00732 0.23689 0.60346 1.00000
Ti11 Ti 0.50732 0.89654 0.26311 1.00000
Ti12 Ti 0.99268 0.76311 0.39654 1.00000
