Ti4NbOs
Alexandria ALEXAlex-ID: agm005773686 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1206_spg12
TiNb17 Ti5Os2 Ti4Os
2023-07-31 13:37:24.060409
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773686).
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 agm005773686
data_agm005773686
_cell_length_a 4.46550
_cell_length_b 5.28982
_cell_length_c 5.34129
_cell_angle_alpha 63.92974
_cell_angle_beta 65.29055
_cell_angle_gamma 65.03372
_cell_volume 98.46543
_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 0.65700 0.99536 0.69065 1.00000
Ti2 Ti 0.34300 0.00464 0.30935 1.00000
Ti3 Ti 0.68273 0.46295 0.17160 1.00000
Ti4 Ti 0.31727 0.53705 0.82840 1.00000
Nb1 Nb 0.00000 0.50000 0.50000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
