Sr2YGeS5
Alexandria ALEXAlex-ID: agm005149244 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
Sr2GeS4 Sr(YS2)2 Ge
2023-01-19 13:53:00.079413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149244).
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 agm005149244
data_agm005149244
_cell_length_a 4.20012
_cell_length_b 9.02831
_cell_length_c 12.14018
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.45067
_cell_volume 447.72790
_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 0.87537 0.75074 0.82571 1.00000
Sr2 Sr 0.11672 0.23344 0.68253 1.00000
Sr3 Sr 0.12463 0.24926 0.32571 1.00000
Sr4 Sr 0.88328 0.76656 0.18253 1.00000
Y1 Y 0.79269 0.58538 0.52641 1.00000
Y2 Y 0.20731 0.41462 0.02641 1.00000
Ge1 Ge 0.55335 0.10670 0.94082 1.00000
Ge2 Ge 0.44665 0.89330 0.44082 1.00000
S1 S 0.35653 0.71305 0.00643 1.00000
S2 S 0.68134 0.36268 0.87213 1.00000
S3 S 0.49839 0.99678 0.77152 1.00000
S4 S 0.29452 0.58905 0.67214 1.00000
S5 S 0.95673 0.91346 0.52628 1.00000
S6 S 0.64347 0.28695 0.50643 1.00000
S7 S 0.31866 0.63732 0.37213 1.00000
S8 S 0.50161 0.00322 0.27152 1.00000
S9 S 0.70548 0.41095 0.17214 1.00000
S10 S 0.04327 0.08654 0.02628 1.00000
Get direct link