Li3Ti2Cu3O10
Alexandria ALEXAlex-ID: agm005288522 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D10_37_spg2
Cu5O6 Li4Ti5O12 LiO8 Li2TiO3
2024-10-18 02:25:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288522).
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 agm005288522
data_agm005288522
_cell_length_a 5.03852
_cell_length_b 6.65468
_cell_length_c 7.87588
_cell_angle_alpha 112.55128
_cell_angle_beta 105.16312
_cell_angle_gamma 113.31762
_cell_volume 195.56076
_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
Li1 Li 0.48352 0.51664 0.31927 1.00000
Li2 Li 0.50000 0.00000 0.50000 1.00000
Li3 Li 0.51648 0.48336 0.68073 1.00000
Ti1 Ti 0.10494 0.01443 0.69411 1.00000
Ti2 Ti 0.89506 0.98557 0.30589 1.00000
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
Cu2 Cu 0.69213 0.00073 0.90099 1.00000
Cu3 Cu 0.30787 0.99927 0.09901 1.00000
O1 O 0.11607 0.25409 0.97977 1.00000
O2 O 0.24554 0.82655 0.82595 1.00000
O3 O 0.99826 0.79369 0.42184 1.00000
O4 O 0.34020 0.20047 0.35605 1.00000
O5 O 0.56683 0.24980 0.78635 1.00000
O6 O 0.43317 0.75020 0.21365 1.00000
O7 O 0.65980 0.79953 0.64395 1.00000
O8 O 0.00174 0.20631 0.57816 1.00000
O9 O 0.75446 0.17345 0.17405 1.00000
O10 O 0.88393 0.74591 0.02023 1.00000
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