Ti10Sb4H3Rh2
Alexandria ALEXAlex-ID: agm073028014 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D10_26_spg42
Ti4Sb2H Ti2Rh TiSbRh TiH2
2024-10-28 23:09:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073028014).
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
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# CIF generated by HEAS from Alexandria entry agm073028014
data_agm073028014
_cell_length_a 10.44589
_cell_length_b 7.85710
_cell_length_c 7.85046
_cell_angle_alpha 83.36823
_cell_angle_beta 48.34307
_cell_angle_gamma 48.28870
_cell_volume 291.23123
_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 0.78790 0.57066 0.42934 1.00000
Ti2 Ti 0.57066 0.78790 0.21210 1.00000
Ti3 Ti 0.42961 0.21169 0.78831 1.00000
Ti4 Ti 0.21169 0.42961 0.57039 1.00000
Ti5 Ti 0.28843 0.92913 0.07087 1.00000
Ti6 Ti 0.92913 0.28843 0.71157 1.00000
Ti7 Ti 0.07087 0.71039 0.28961 1.00000
Ti8 Ti 0.71039 0.07087 0.92913 1.00000
Ti9 Ti 0.75316 0.25142 0.24684 1.00000
Ti10 Ti 0.25142 0.75316 0.74858 1.00000
Sb1 Sb 0.66539 0.33285 0.66715 1.00000
Sb2 Sb 0.33285 0.66539 0.33461 1.00000
Sb3 Sb 0.16906 0.16906 0.83094 1.00000
Sb4 Sb 0.83393 0.83393 0.16607 1.00000
H1 H 0.09999 0.90115 0.09885 1.00000
H2 H 0.90115 0.09999 0.90001 1.00000
H3 H 0.60096 0.60096 0.39904 1.00000
Rh1 Rh 0.25087 0.25087 0.24913 1.00000
Rh2 Rh 0.75087 0.75087 0.74913 1.00000
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