Li2TmTi2O7
Alexandria ALEXAlex-ID: agm002284546 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_10_spg44
LiTmTi2O6 Li2TiO3 Tm2Ti2O7 LiO8
2019-01-04 17:53:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002284546).
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 agm002284546
data_agm002284546
_cell_length_a 3.79586
_cell_length_b 3.79586
_cell_length_c 9.69303
_cell_angle_alpha 101.27833
_cell_angle_beta 101.27832
_cell_angle_gamma 90.00190
_cell_volume 134.21395
_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
Tm1 Tm 0.00063 0.00002 0.00000 1.00000
Li1 Li 0.24975 0.75020 0.50000 1.00000
Li2 Li 0.75019 0.24976 0.50000 1.00000
O1 O 0.49965 0.49997 0.00000 1.00000
O2 O 0.58730 0.08740 0.17478 1.00000
O3 O 0.08734 0.58742 0.17478 1.00000
O4 O 0.41242 0.91256 0.82522 1.00000
O5 O 0.91250 0.41254 0.82522 1.00000
O6 O 0.29030 0.29031 0.58057 1.00000
O7 O 0.70964 0.70965 0.41943 1.00000
Ti1 Ti 0.61236 0.61230 0.22458 1.00000
Ti2 Ti 0.38774 0.38768 0.77542 1.00000
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