SrLiYSO6
Alexandria ALEXAlex-ID: agm011507364 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE6_48_spg7
LiYO2 SrSO4
2024-05-29 17:57:57.621127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011507364).
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 agm011507364
data_agm011507364
_cell_length_a 7.07538
_cell_length_b 5.87232
_cell_length_c 8.57921
_cell_angle_alpha 49.33299
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 270.37541
_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 0.67106 0.70354 0.76206 1.00000
Sr2 Sr 0.32894 0.70354 0.26206 1.00000
Li1 Li 0.25905 0.48131 0.97167 1.00000
Li2 Li 0.74095 0.48131 0.47167 1.00000
Y1 Y 0.41216 0.19219 0.76455 1.00000
Y2 Y 0.58784 0.19219 0.26455 1.00000
S1 S 0.89114 0.03690 0.00104 1.00000
S2 S 0.10886 0.03690 0.50104 1.00000
O1 O 0.83119 0.72750 0.17821 1.00000
O2 O 0.45781 0.22132 0.00565 1.00000
O3 O 0.54578 0.70475 0.49523 1.00000
O4 O 0.86389 0.23915 0.04984 1.00000
O5 O 0.90437 0.03533 0.46064 1.00000
O6 O 0.21910 0.15851 0.31122 1.00000
O7 O 0.16881 0.72750 0.67821 1.00000
O8 O 0.54219 0.22132 0.50565 1.00000
O9 O 0.45422 0.70475 0.99523 1.00000
O10 O 0.13611 0.23915 0.54984 1.00000
O11 O 0.09563 0.03533 0.96064 1.00000
O12 O 0.78090 0.15851 0.81122 1.00000
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