Li2DyNb2O7
Alexandria ALEXAlex-ID: agm002284510 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_10_spg44
LiNbO2 DyNbO4 Li3NbO4
2018-11-11 02:03:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002284510).
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 agm002284510
data_agm002284510
_cell_length_a 4.06221
_cell_length_b 3.95495
_cell_length_c 9.62318
_cell_angle_alpha 101.85364
_cell_angle_beta 102.18266
_cell_angle_gamma 90.00265
_cell_volume 147.74795
_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 0.62493 0.61382 0.22769 1.00000
Nb2 Nb 0.39770 0.38620 0.77234 1.00000
Li1 Li 0.22951 0.74040 0.48030 1.00000
Li2 Li 0.74976 0.25957 0.51969 1.00000
O1 O 0.09655 0.60231 0.20450 1.00000
O2 O 0.26713 0.28296 0.56599 1.00000
O3 O 0.42350 0.91141 0.82275 1.00000
O4 O 0.89242 0.39772 0.79545 1.00000
O5 O 0.70097 0.71701 0.43405 1.00000
O6 O 0.60014 0.08865 0.17736 1.00000
O7 O 0.41255 0.49998 0.99999 1.00000
Dy1 Dy 0.10476 0.99992 0.99993 1.00000
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