YSO4
Alexandria ALEXAlex-ID: agm002229367 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_505_spg11
Y2SO2 Y2(SO4)3 Y2O3
2018-07-21 04:19:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002229367).
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 agm002229367
data_agm002229367
_cell_length_a 4.30559
_cell_length_b 6.17008
_cell_length_c 7.15511
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.26854
_cell_volume 179.43342
_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
Y1 Y 0.38452 0.33190 0.75000 1.00000
Y2 Y 0.61548 0.66810 0.25000 1.00000
S1 S 0.77531 0.86326 0.75000 1.00000
S2 S 0.22469 0.13674 0.25000 1.00000
O1 O 0.14290 0.92991 0.75000 1.00000
O2 O 0.85710 0.07009 0.25000 1.00000
O3 O 0.83805 0.24381 0.75000 1.00000
O4 O 0.16195 0.75619 0.25000 1.00000
O5 O 0.35722 0.30307 0.08439 1.00000
O6 O 0.64278 0.69693 0.58439 1.00000
O7 O 0.35722 0.30307 0.41561 1.00000
O8 O 0.64278 0.69693 0.91561 1.00000
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