Nb6V8Sn
Alexandria ALEXAlex-ID: agm072936360 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_45_spg148
V11Sn NbV2 Nb3Sn
2024-10-08 11:00:54.590416
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072936360).
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 agm072936360
data_agm072936360
_cell_length_a 6.89767
_cell_length_b 6.89767
_cell_length_c 6.89767
_cell_angle_alpha 63.20731
_cell_angle_beta 63.20731
_cell_angle_gamma 63.20731
_cell_volume 248.55179
_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 0.14677 0.62069 0.39298 1.00000
Nb2 Nb 0.39298 0.14677 0.62069 1.00000
Nb3 Nb 0.62069 0.39298 0.14677 1.00000
Nb4 Nb 0.85323 0.37931 0.60702 1.00000
Nb5 Nb 0.60702 0.85323 0.37931 1.00000
Nb6 Nb 0.37931 0.60702 0.85323 1.00000
V1 V 0.24792 0.24792 0.24792 1.00000
V2 V 0.75208 0.75208 0.75208 1.00000
V3 V 0.89253 0.11273 0.38413 1.00000
V4 V 0.38413 0.89253 0.11273 1.00000
V5 V 0.11273 0.38413 0.89253 1.00000
V6 V 0.10747 0.88727 0.61587 1.00000
V7 V 0.61587 0.10747 0.88727 1.00000
V8 V 0.88727 0.61587 0.10747 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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