Li4NbO5
Alexandria ALEXAlex-ID: agm002218554 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_3_spg79
Li8Nb2O9 Li3NbO4 LiO8
2018-07-11 15:28:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002218554).
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
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# CIF generated by HEAS from Alexandria entry agm002218554
data_agm002218554
_cell_length_a 4.15493
_cell_length_b 5.18650
_cell_length_c 5.18602
_cell_angle_alpha 80.77084
_cell_angle_beta 66.41323
_cell_angle_gamma 66.39899
_cell_volume 93.85295
_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 0.00000 0.00000 0.00000 1.00000
O1 O 0.91191 0.80539 0.37094 1.00000
O2 O 0.71756 0.37089 0.19455 1.00000
O3 O 0.50000 0.00000 0.00000 1.00000
O4 O 0.08809 0.19461 0.62906 1.00000
O5 O 0.28244 0.62911 0.80545 1.00000
Li1 Li 0.81036 0.60446 0.77459 1.00000
Li2 Li 0.18964 0.39554 0.22541 1.00000
Li3 Li 0.41491 0.77466 0.39558 1.00000
Li4 Li 0.58509 0.22534 0.60442 1.00000
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