Dy(Zr2Nb)6
Alexandria ALEXAlex-ID: agm065474580 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_259_spg148
ZrNb17 Dy Zr
2024-10-23 01:22:48.099810
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065474580).
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 agm065474580
data_agm065474580
_cell_length_a 7.58041
_cell_length_b 7.84035
_cell_length_c 7.98375
_cell_angle_alpha 113.30988
_cell_angle_beta 84.55124
_cell_angle_gamma 107.31243
_cell_volume 415.88671
_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
Dy1 Dy 0.00000 0.50000 0.00000 1.00000
Zr1 Zr 0.67907 0.00046 0.40982 1.00000
Zr2 Zr 0.52850 0.71619 0.62917 1.00000
Zr3 Zr 0.79561 0.82751 0.95437 1.00000
Zr4 Zr 0.32093 0.99954 0.59018 1.00000
Zr5 Zr 0.47150 0.28381 0.37083 1.00000
Zr6 Zr 0.20439 0.17249 0.04563 1.00000
Zr7 Zr 0.59860 0.56942 0.18231 1.00000
Zr8 Zr 0.60093 0.15236 0.91580 1.00000
Zr9 Zr 0.05234 0.93787 0.29416 1.00000
Zr10 Zr 0.40140 0.43058 0.81769 1.00000
Zr11 Zr 0.39907 0.84764 0.08420 1.00000
Zr12 Zr 0.94766 0.06213 0.70584 1.00000
Nb1 Nb 0.10231 0.35450 0.52833 1.00000
Nb2 Nb 0.86273 0.25784 0.24047 1.00000
Nb3 Nb 0.23574 0.59092 0.33621 1.00000
Nb4 Nb 0.89769 0.64550 0.47167 1.00000
Nb5 Nb 0.13727 0.74216 0.75953 1.00000
Nb6 Nb 0.76426 0.40908 0.66379 1.00000
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