K2GdS9
Alexandria ALEXAlex-ID: agm101656777 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_251_spg65
Gd10S19 KS5 KS3
2025-05-21 11:39:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101656777).
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 agm101656777
data_agm101656777
_cell_length_a 4.12527
_cell_length_b 9.40925
_cell_length_c 9.06031
_cell_angle_alpha 105.82425
_cell_angle_beta 89.10771
_cell_angle_gamma 91.76836
_cell_volume 338.18369
_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 0.32740 0.61273 0.28554 1.00000
K2 K 0.30372 0.39947 0.72580 1.00000
Gd1 Gd 0.90837 0.95728 0.95039 1.00000
S1 S 0.39607 0.94030 0.16922 1.00000
S2 S 0.81992 0.43778 0.02113 1.00000
S3 S 0.81516 0.57300 0.54461 1.00000
S4 S 0.62499 0.24960 0.06100 1.00000
S5 S 0.43555 0.11676 0.85188 1.00000
S6 S 0.34129 0.11985 0.36638 1.00000
S7 S 0.41199 0.74301 0.86578 1.00000
S8 S 0.97994 0.07801 0.49362 1.00000
S9 S 0.63561 0.77221 0.66465 1.00000
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