K2CeAgS4
Alexandria ALEXAlex-ID: agm004860100 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
K2CeS3 KAgS KS3 KCeAgS3
2023-01-30 18:12:22.528721
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004860100).
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 agm004860100
data_agm004860100
_cell_length_a 8.13303
_cell_length_b 8.13304
_cell_length_c 8.41983
_cell_angle_alpha 117.05694
_cell_angle_beta 117.05703
_cell_angle_gamma 89.39621
_cell_volume 427.94803
_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 0.50000 0.00000 0.00000 1.00000
K2 K 0.50000 0.00000 0.50000 1.00000
K3 K 0.00000 0.00000 0.50000 1.00000
K4 K 0.50000 0.50000 1.00000 1.00000
Ce1 Ce 0.00000 0.50000 0.00001 1.00000
Ce2 Ce 1.00000 0.50000 0.49999 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.99999 0.00000 1.00000 1.00000
S1 S 0.18614 0.72988 0.93870 1.00000
S2 S 0.77012 0.31387 0.56130 1.00000
S3 S 0.22988 0.68612 0.43870 1.00000
S4 S 0.81388 0.27012 0.06130 1.00000
S5 S 0.80772 0.77230 0.02437 1.00000
S6 S 0.72770 0.69228 0.47563 1.00000
S7 S 0.27230 0.30772 0.52437 1.00000
S8 S 0.19228 0.22770 0.97563 1.00000
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