SrS13
Alexandria ALEXAlex-ID: agm027355261 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB13_26_spg1
SrS20 SrS
2024-12-09 18:41:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027355261).
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 agm027355261
data_agm027355261
_cell_length_a 4.43707
_cell_length_b 10.70952
_cell_length_c 10.08442
_cell_angle_alpha 72.43988
_cell_angle_beta 86.55931
_cell_angle_gamma 81.86040
_cell_volume 452.19195
_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 0.11426 0.53865 0.64940 1.00000
S1 S 0.81527 0.75558 0.33382 1.00000
S2 S 0.58330 0.60840 0.81503 1.00000
S3 S 0.67730 0.37410 0.58768 1.00000
S4 S 0.62773 0.96353 0.90491 1.00000
S5 S 0.92358 0.31279 0.16980 1.00000
S6 S 0.33361 0.13225 0.81574 1.00000
S7 S 0.63177 0.16984 0.21688 1.00000
S8 S 0.25968 0.24335 0.31834 1.00000
S9 S 0.52435 0.64459 0.27593 1.00000
S10 S 0.55151 0.29641 0.79493 1.00000
S11 S 0.89541 0.89326 0.76136 1.00000
S12 S 0.16266 0.77943 0.18246 1.00000
S13 S 0.64957 0.78783 0.67373 1.00000
Get direct link