Sr5Li3Ti2Nb6O26
Alexandria ALEXAlex-ID: agm010628110 · Space group: P2 (#3)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5D6E26_0_spg3
LiO8 SrTi2O5 SrNb2O6 Sr2Nb2O7 Li2TiO3
2025-02-24 21:05:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010628110).
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 agm010628110
data_agm010628110
_cell_length_a 5.55485
_cell_length_b 5.55903
_cell_length_c 18.41987
_cell_angle_alpha 90.00000
_cell_angle_beta 98.57481
_cell_angle_gamma 90.00000
_cell_volume 562.43979
_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
Sr1 Sr 0.38458 0.00157 0.76054 1.00000
Sr2 Sr 0.11066 0.50331 0.23978 1.00000
Sr3 Sr 0.88934 0.50331 0.76022 1.00000
Sr4 Sr 0.50000 0.01155 0.00000 1.00000
Sr5 Sr 0.61542 0.00157 0.23946 1.00000
Li1 Li 0.00000 0.27523 0.50000 1.00000
Li2 Li 0.50000 0.74242 0.50000 1.00000
Li3 Li 0.50000 0.25282 0.50000 1.00000
Ti1 Ti 0.32886 0.49766 0.64146 1.00000
Ti2 Ti 0.67114 0.49766 0.35854 1.00000
Nb1 Nb 0.17377 0.99971 0.35838 1.00000
Nb2 Nb 0.05063 0.01090 0.11304 1.00000
Nb3 Nb 0.45645 0.51063 0.88685 1.00000
Nb4 Nb 0.54355 0.51063 0.11315 1.00000
Nb5 Nb 0.94937 0.01090 0.88696 1.00000
Nb6 Nb 0.82623 0.99971 0.64162 1.00000
O1 O 0.08944 0.24898 0.66334 1.00000
O2 O 0.08687 0.74676 0.66226 1.00000
O3 O 0.25814 0.80501 0.88952 1.00000
O4 O 0.14838 0.29369 0.88607 1.00000
O5 O 0.24538 0.01962 0.45840 1.00000
O6 O 0.38743 0.49864 0.78077 1.00000
O7 O 0.10038 0.99038 0.22067 1.00000
O8 O 0.00000 0.99586 0.00000 1.00000
O9 O 0.29660 0.48141 0.54589 1.00000
O10 O 0.63773 0.18541 0.88591 1.00000
O11 O 0.75076 0.69357 0.88549 1.00000
O12 O 0.40882 0.25133 0.33114 1.00000
O13 O 0.41490 0.74861 0.33606 1.00000
O14 O 0.58510 0.74861 0.66394 1.00000
O15 O 0.59118 0.25133 0.66886 1.00000
O16 O 0.24924 0.69357 0.11451 1.00000
O17 O 0.36227 0.18541 0.11409 1.00000
O18 O 0.70340 0.48141 0.45411 1.00000
O19 O 0.89962 0.99038 0.77933 1.00000
O20 O 0.61257 0.49864 0.21923 1.00000
O21 O 0.50000 0.48696 0.00000 1.00000
O22 O 0.75462 0.01962 0.54160 1.00000
O23 O 0.85162 0.29369 0.11393 1.00000
O24 O 0.74186 0.80501 0.11048 1.00000
O25 O 0.91313 0.74676 0.33774 1.00000
O26 O 0.91056 0.24898 0.33666 1.00000
