TiNbCo
Alexandria ALEXAlex-ID: agm005647775 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_51_spg12
TiNb17 Nb2Co TiCo
2023-06-18 13:11:34.638355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647775).
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 agm005647775
data_agm005647775
_cell_length_a 6.11236
_cell_length_b 3.06094
_cell_length_c 5.41209
_cell_angle_alpha 106.33731
_cell_angle_beta 83.57808
_cell_angle_gamma 75.51600
_cell_volume 92.25420
_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 0.36157 0.11147 0.58340 1.00000
Ti2 Ti 0.50638 0.29356 0.09166 1.00000
Nb1 Nb 0.06815 0.96952 0.00575 1.00000
Nb2 Nb 0.79978 0.43558 0.66934 1.00000
Co1 Co 0.74732 0.75585 0.25815 1.00000
Co2 Co 0.12061 0.64925 0.41694 1.00000
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