Zr6Nb8Sn
Alexandria ALEXAlex-ID: agm072907665 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_45_spg148
ZrNb17 Zr5Sn3 Zr
2024-10-08 15:51:11.336066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072907665).
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 agm072907665
data_agm072907665
_cell_length_a 7.55036
_cell_length_b 7.55036
_cell_length_c 7.55036
_cell_angle_alpha 62.02326
_cell_angle_beta 62.02326
_cell_angle_gamma 62.02326
_cell_volume 318.13229
_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
Zr1 Zr 0.85761 0.60938 0.37407 1.00000
Zr2 Zr 0.60938 0.37407 0.85761 1.00000
Zr3 Zr 0.37407 0.85761 0.60938 1.00000
Zr4 Zr 0.14239 0.39062 0.62593 1.00000
Zr5 Zr 0.39062 0.62593 0.14239 1.00000
Zr6 Zr 0.62593 0.14239 0.39062 1.00000
Nb1 Nb 0.74596 0.74596 0.74596 1.00000
Nb2 Nb 0.25404 0.25404 0.25404 1.00000
Nb3 Nb 0.10513 0.62444 0.89230 1.00000
Nb4 Nb 0.62444 0.89230 0.10513 1.00000
Nb5 Nb 0.89230 0.10513 0.62444 1.00000
Nb6 Nb 0.89487 0.37556 0.10770 1.00000
Nb7 Nb 0.37556 0.10770 0.89487 1.00000
Nb8 Nb 0.10770 0.89487 0.37556 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Get direct link