Ta2NbSn
Alexandria ALEXAlex-ID: agm005682356 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8198_spg12
Ta3Sn Nb3Sn
2023-07-12 08:42:26.134698
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682356).
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 agm005682356
data_agm005682356
_cell_length_a 2.96532
_cell_length_b 7.18005
_cell_length_c 10.13339
_cell_angle_alpha 81.39398
_cell_angle_beta 133.64447
_cell_angle_gamma 96.47619
_cell_volume 154.35405
_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 0.76035 0.69866 0.92267 1.00000
Ta2 Ta 0.23965 0.30134 0.07733 1.00000
Ta3 Ta 0.72288 0.18319 0.44052 1.00000
Ta4 Ta 0.27712 0.81681 0.55948 1.00000
Nb1 Nb 0.74542 0.94828 0.18676 1.00000
Nb2 Nb 0.25458 0.05172 0.81324 1.00000
Sn1 Sn 0.23693 0.57673 0.28810 1.00000
Sn2 Sn 0.76307 0.42327 0.71190 1.00000
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