Ti3(Nb2Sn)2
Alexandria ALEXAlex-ID: agm005653442 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_298_spg12
TiNb17 Ti(Nb4Sn)3 Ti2NbSn
2023-06-29 04:40:31.961166
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653442).
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 agm005653442
data_agm005653442
_cell_length_a 3.55325
_cell_length_b 5.42149
_cell_length_c 9.50542
_cell_angle_alpha 76.04290
_cell_angle_beta 79.22768
_cell_angle_gamma 70.87072
_cell_volume 166.72719
_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 0.34713 0.76438 0.54136 1.00000
Ti2 Ti 0.00000 0.00000 0.00000 1.00000
Ti3 Ti 0.65287 0.23562 0.45864 1.00000
Nb1 Nb 0.66197 0.57217 0.10389 1.00000
Nb2 Nb 0.99333 0.34377 0.66958 1.00000
Nb3 Nb 0.00667 0.65623 0.33042 1.00000
Nb4 Nb 0.33803 0.42783 0.89611 1.00000
Sn1 Sn 0.32859 0.11617 0.22665 1.00000
Sn2 Sn 0.67141 0.88383 0.77335 1.00000
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