Sr2Ti5Sb3H2
Alexandria ALEXAlex-ID: agm006397661 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D5_12_spg139
Ti7Sb3H2 Ti3SbH Sr16Sb11 TiH2
2024-03-04 01:04:44.686458
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006397661).
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 agm006397661
data_agm006397661
_cell_length_a 13.08712
_cell_length_b 13.08712
_cell_length_c 13.08712
_cell_angle_alpha 161.13598
_cell_angle_beta 161.13598
_cell_angle_gamma 26.80109
_cell_volume 234.22904
_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
Sr1 Sr 0.69758 0.69758 0.00000 1.00000
Sr2 Sr 0.30242 0.30242 0.00000 1.00000
Ti1 Ti 0.57566 0.07566 0.50000 1.00000
Ti2 Ti 0.42434 0.92434 0.50000 1.00000
Ti3 Ti 0.07566 0.57566 0.50000 1.00000
Ti4 Ti 0.92434 0.42434 0.50000 1.00000
Ti5 Ti 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.15351 0.15351 0.00000 1.00000
Sb2 Sb 0.84649 0.84649 0.00000 1.00000
Sb3 Sb 0.00000 0.00000 0.00000 1.00000
H1 H 0.42240 0.42240 0.00000 1.00000
H2 H 0.57760 0.57760 0.00000 1.00000
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