Ti2Nb5
Alexandria ALEXAlex-ID: agm044997653 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_157_spg69
TiNb7 Ti
2024-10-22 03:01:05.925251
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044997653).
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
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# CIF generated by HEAS from Alexandria entry agm044997653
data_agm044997653
_cell_length_a 16.19763
_cell_length_b 16.12116
_cell_length_c 2.86248
_cell_angle_alpha 86.44529
_cell_angle_beta 83.39561
_cell_angle_gamma 10.15910
_cell_volume 125.24592
_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 0.14267 0.14267 0.85733 1.00000
Ti2 Ti 0.85733 0.85733 0.14267 1.00000
Nb1 Nb 0.28631 0.28631 0.71369 1.00000
Nb2 Nb 0.71369 0.71369 0.28631 1.00000
Nb3 Nb 0.57271 0.57271 0.42729 1.00000
Nb4 Nb 0.42729 0.42729 0.57271 1.00000
Nb5 Nb 0.00000 0.00000 0.00000 1.00000
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