Ti5Tc6Os
Alexandria ALEXAlex-ID: agm006136289 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Ti2TcOs Ti3Tc5
2023-09-10 15:31:41.312876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136289).
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 agm006136289
data_agm006136289
_cell_length_a 4.38239
_cell_length_b 6.18925
_cell_length_c 6.93200
_cell_angle_alpha 90.00004
_cell_angle_beta 108.44957
_cell_angle_gamma 90.00000
_cell_volume 178.35786
_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
Os1 Os 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.83513 0.75063 0.67014 1.00000
Tc2 Tc 0.83513 0.24937 0.67014 1.00000
Tc3 Tc 0.50000 0.24907 0.00000 1.00000
Tc4 Tc 0.50000 0.75093 1.00000 1.00000
Tc5 Tc 0.16487 0.75063 0.32986 1.00000
Tc6 Tc 0.16487 0.24937 0.32986 1.00000
Ti1 Ti 0.66623 0.50000 0.33260 1.00000
Ti2 Ti 0.33287 1.00000 0.66541 1.00000
Ti3 Ti 0.00000 0.50000 0.00000 1.00000
Ti4 Ti 0.66713 0.00000 0.33459 1.00000
Ti5 Ti 0.33377 0.50000 0.66740 1.00000
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