Li2ScNb2O7
Alexandria ALEXAlex-ID: agm002284531 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_89_spg8
ScNbO4 Li3NbO4 LiNbO2
2023-03-26 03:33:28.274485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002284531).
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 agm002284531
data_agm002284531
_cell_length_a 4.08135
_cell_length_b 3.82121
_cell_length_c 10.13551
_cell_angle_alpha 100.86120
_cell_angle_beta 108.54630
_cell_angle_gamma 90.02413
_cell_volume 146.86709
_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
Sc1 Sc 0.17222 0.97575 0.95203 1.00000
Nb1 Nb 0.56425 0.61718 0.23479 1.00000
Nb2 Nb 0.46004 0.38489 0.76919 1.00000
O1 O 0.02709 0.62081 0.24224 1.00000
O2 O 0.29188 0.28514 0.57029 1.00000
O3 O 0.56599 0.92684 0.85310 1.00000
O4 O 0.94565 0.38126 0.76109 1.00000
O5 O 0.68601 0.71839 0.43702 1.00000
O6 O 0.43652 0.08892 0.17830 1.00000
O7 O 0.37325 0.50190 0.00405 1.00000
Li1 Li 0.21247 0.73126 0.46302 1.00000
Li2 Li 0.76454 0.26761 0.53490 1.00000
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