Nb2Tc3Sn
Alexandria ALEXAlex-ID: agm017889027 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_229_spg2
Nb2Tc3Sn
2025-03-05 06:45:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017889027).
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 agm017889027
data_agm017889027
_cell_length_a 7.18554
_cell_length_b 7.18554
_cell_length_c 6.43725
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.14914
_cell_volume 199.33281
_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
Nb1 Nb 0.50000 0.50000 0.50000 1.00000
Nb2 Nb 0.50000 0.50000 0.00000 1.00000
Nb3 Nb 0.83321 0.16679 0.00000 1.00000
Nb4 Nb 0.16679 0.83321 0.00000 1.00000
Tc1 Tc 0.33467 0.66533 0.24321 1.00000
Tc2 Tc 0.00000 0.00000 0.76025 1.00000
Tc3 Tc 0.66533 0.33467 0.75679 1.00000
Tc4 Tc 0.33467 0.66533 0.75679 1.00000
Tc5 Tc 0.66533 0.33467 0.24321 1.00000
Tc6 Tc 0.00000 0.00000 0.23975 1.00000
Sn1 Sn 0.83743 0.16257 0.50000 1.00000
Sn2 Sn 0.16257 0.83743 0.50000 1.00000
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