KSrS14
Alexandria ALEXAlex-ID: agm005757359 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_101_spg74
KS5 SrS20 SrS
2023-07-23 19:57:39.788134
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757359).
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 agm005757359
data_agm005757359
_cell_length_a 11.50816
_cell_length_b 11.50816
_cell_length_c 11.50816
_cell_angle_alpha 139.26641
_cell_angle_beta 90.39387
_cell_angle_gamma 103.61365
_cell_volume 924.46358
_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
K1 K 0.68965 0.25000 0.43965 1.00000
K2 K 0.31035 0.75000 0.56035 1.00000
Sr1 Sr 0.00000 0.50000 0.00000 1.00000
Sr2 Sr 0.00000 0.00000 0.50000 1.00000
S1 S 0.71058 0.81843 0.89215 1.00000
S2 S 0.28942 0.18157 0.10785 1.00000
S3 S 0.42629 0.31843 0.10785 1.00000
S4 S 0.57371 0.68157 0.89215 1.00000
S5 S 0.01858 0.37905 0.63953 1.00000
S6 S 0.98142 0.62095 0.36047 1.00000
S7 S 0.23952 0.87905 0.36047 1.00000
S8 S 0.76048 0.12095 0.63953 1.00000
S9 S 0.23716 0.36989 0.86728 1.00000
S10 S 0.76284 0.63011 0.13272 1.00000
S11 S 0.00261 0.86989 0.13272 1.00000
S12 S 0.99739 0.13011 0.86728 1.00000
S13 S 0.68508 0.11927 0.05448 1.00000
S14 S 0.31492 0.36940 0.43419 1.00000
S15 S 0.56479 0.61927 0.43419 1.00000
S16 S 0.43521 0.86940 0.05448 1.00000
S17 S 0.31492 0.88073 0.94552 1.00000
S18 S 0.68508 0.63060 0.56581 1.00000
S19 S 0.43521 0.38073 0.56581 1.00000
S20 S 0.56479 0.13060 0.94552 1.00000
S21 S 0.27651 0.61342 0.17059 1.00000
S22 S 0.72349 0.89408 0.33691 1.00000
S23 S 0.94283 0.11342 0.33691 1.00000
S24 S 0.05717 0.39408 0.17059 1.00000
S25 S 0.72349 0.38658 0.82941 1.00000
S26 S 0.27651 0.10592 0.66309 1.00000
S27 S 0.05717 0.88658 0.66309 1.00000
S28 S 0.94283 0.60592 0.82941 1.00000
