Sr2La3Ti2O10
Alexandria ALEXAlex-ID: agm005285059 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D10_50_spg4
Sr2TiO4 Sr3LaTi4O12 Ti2O La2O3
2024-10-14 11:47:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005285059).
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 agm005285059
data_agm005285059
_cell_length_a 5.68737
_cell_length_b 6.82693
_cell_length_c 12.38257
_cell_angle_alpha 94.29258
_cell_angle_beta 90.00138
_cell_angle_gamma 90.00034
_cell_volume 479.43262
_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 0.73703 0.68575 0.54449 1.00000
Sr2 Sr 0.23709 0.31431 0.45556 1.00000
Sr3 Sr 0.75137 0.18083 0.65840 1.00000
Sr4 Sr 0.25139 0.81916 0.34167 1.00000
La1 La 0.73262 0.41305 0.94214 1.00000
La2 La 0.23260 0.58688 0.05778 1.00000
La3 La 0.75513 0.44581 0.25778 1.00000
La4 La 0.25516 0.55425 0.74220 1.00000
La5 La 0.72795 0.95945 0.10953 1.00000
La6 La 0.22797 0.04046 0.89075 1.00000
Ti1 Ti 0.74213 0.05727 0.39537 1.00000
Ti2 Ti 0.24210 0.94281 0.60470 1.00000
Ti3 Ti 0.74410 0.80996 0.81543 1.00000
Ti4 Ti 0.24410 0.19009 0.18456 1.00000
O1 O 0.77041 0.34789 0.45322 1.00000
O2 O 0.27052 0.65218 0.54679 1.00000
O3 O 0.70706 0.52594 0.74562 1.00000
O4 O 0.20727 0.47412 0.25437 1.00000
O5 O 0.70833 0.76809 0.34107 1.00000
O6 O 0.20826 0.23197 0.65882 1.00000
O7 O 0.82396 0.63102 0.10780 1.00000
O8 O 0.32392 0.36890 0.89214 1.00000
O9 O 0.79812 0.09253 0.86807 1.00000
O10 O 0.29792 0.90744 0.13180 1.00000
O11 O 0.98844 0.86094 0.70378 1.00000
O12 O 0.97530 0.10808 0.27659 1.00000
O13 O 0.48852 0.13895 0.29615 1.00000
O14 O 0.47523 0.89202 0.72349 1.00000
O15 O 0.01462 0.71507 0.90465 1.00000
O16 O 0.02469 0.22768 0.06549 1.00000
O17 O 0.51458 0.28485 0.09525 1.00000
O18 O 0.52480 0.77226 0.93449 1.00000
O19 O 0.99864 0.98923 0.49341 1.00000
O20 O 0.49867 0.01078 0.50663 1.00000
