Sr2LiO12
Alexandria ALEXAlex-ID: agm005238702 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_55_spg2
SrO3 LiO8 Li2O
2022-12-12 11:23:25.642884
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238702).
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 agm005238702
data_agm005238702
_cell_length_a 4.96445
_cell_length_b 6.11090
_cell_length_c 8.09551
_cell_angle_alpha 103.88789
_cell_angle_beta 71.90786
_cell_angle_gamma 112.53938
_cell_volume 213.56366
_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 0.88430 0.82999 0.74027 1.00000
Sr2 Sr 0.11570 0.17001 0.25973 1.00000
Li1 Li 0.00000 0.50000 0.00000 1.00000
O1 O 0.17102 0.86264 0.97193 1.00000
O2 O 0.99425 0.22109 0.61088 1.00000
O3 O 0.82898 0.13736 0.02807 1.00000
O4 O 0.00575 0.77891 0.38912 1.00000
O5 O 0.38947 0.93654 0.82874 1.00000
O6 O 0.01381 0.42880 0.71082 1.00000
O7 O 0.61053 0.06346 0.17126 1.00000
O8 O 0.98619 0.57120 0.28918 1.00000
O9 O 0.49514 0.59949 0.54634 1.00000
O10 O 0.45282 0.53174 0.94403 1.00000
O11 O 0.50486 0.40051 0.45366 1.00000
O12 O 0.54718 0.46826 0.05597 1.00000
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