Ta5Ti2Nb5
Alexandria ALEXAlex-ID: agm005654301 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_15_spg12
Ta2Nb Ti TaNb4
2023-06-19 07:57:23.984166
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654301).
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 agm005654301
data_agm005654301
_cell_length_a 4.67612
_cell_length_b 7.39670
_cell_length_c 7.37511
_cell_angle_alpha 101.52998
_cell_angle_beta 71.51718
_cell_angle_gamma 71.57305
_cell_volume 216.38602
_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
Ta1 Ta 0.00000 0.50000 0.50000 1.00000
Ta2 Ta 0.66339 0.75673 0.91649 1.00000
Ta3 Ta 0.33278 0.99481 0.33964 1.00000
Ta4 Ta 0.66722 0.00519 0.66036 1.00000
Ta5 Ta 0.33661 0.24327 0.08351 1.00000
Ti1 Ti 0.33828 0.49383 0.82962 1.00000
Ti2 Ti 0.66172 0.50617 0.17038 1.00000
Nb1 Nb 0.67125 0.24860 0.40889 1.00000
Nb2 Nb 0.99434 0.25361 0.75771 1.00000
Nb3 Nb 0.00566 0.74639 0.24229 1.00000
Nb4 Nb 0.32875 0.75140 0.59111 1.00000
Nb5 Nb 0.00000 0.00000 0.00000 1.00000
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