Ti6Nb3Tc
Alexandria ALEXAlex-ID: agm062895842 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_614_spg11
TiNb7 Ti3Tc Ti
2024-10-22 22:34:59.392964
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062895842).
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 agm062895842
data_agm062895842
_cell_length_a 4.50876
_cell_length_b 8.01958
_cell_length_c 9.74616
_cell_angle_alpha 74.67263
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 339.87063
_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 0.75000 0.45114 0.41200 1.00000
Ti2 Ti 0.25000 0.54886 0.58800 1.00000
Ti3 Ti 0.75000 0.14373 0.31979 1.00000
Ti4 Ti 0.25000 0.85627 0.68021 1.00000
Ti5 Ti 0.75000 0.67959 0.80993 1.00000
Ti6 Ti 0.25000 0.32041 0.19007 1.00000
Ti7 Ti 0.75000 0.23013 0.00876 1.00000
Ti8 Ti 0.25000 0.76987 0.99124 1.00000
Ti9 Ti 0.75000 0.85607 0.18627 1.00000
Ti10 Ti 0.25000 0.14393 0.81373 1.00000
Ti11 Ti 0.75000 0.06071 0.62981 1.00000
Ti12 Ti 0.25000 0.93929 0.37019 1.00000
Nb1 Nb 0.75000 0.54030 0.10683 1.00000
Nb2 Nb 0.25000 0.45970 0.89317 1.00000
Nb3 Nb 0.75000 0.37053 0.71893 1.00000
Nb4 Nb 0.25000 0.62947 0.28107 1.00000
Nb5 Nb 0.75000 0.76614 0.50178 1.00000
Nb6 Nb 0.25000 0.23386 0.49822 1.00000
Tc1 Tc 0.75000 0.95379 0.90110 1.00000
Tc2 Tc 0.25000 0.04621 0.09890 1.00000
