Sr3Y2Ni2S2O5
Alexandria ALEXAlex-ID: agm010129327 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C2D3E5_0_spg139
SrSO4 Y2O3 SrS SrO Ni
2024-03-21 21:54:41.166442
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010129327).
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 agm010129327
data_agm010129327
_cell_length_a 13.18776
_cell_length_b 13.18776
_cell_length_c 13.18776
_cell_angle_alpha 160.92861
_cell_angle_beta 160.92861
_cell_angle_gamma 27.09855
_cell_volume 244.77170
_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 0.50000 0.50000 0.00000 1.00000
Sr2 Sr 0.34914 0.34914 0.00000 1.00000
Sr3 Sr 0.65086 0.65086 0.00000 1.00000
Y1 Y 0.08424 0.08424 0.00000 1.00000
Y2 Y 0.91576 0.91576 0.00000 1.00000
Ni1 Ni 0.25000 0.75000 0.50000 1.00000
Ni2 Ni 0.75000 0.25000 0.50000 1.00000
S1 S 0.20761 0.20761 0.00000 1.00000
S2 S 0.79239 0.79239 0.00000 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
O2 O 0.09561 0.59561 0.50000 1.00000
O3 O 0.59561 0.09561 0.50000 1.00000
O4 O 0.40439 0.90439 0.50000 1.00000
O5 O 0.90439 0.40439 0.50000 1.00000
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