K2Ce(PtS2)2
Alexandria ALEXAlex-ID: agm011474544 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_490_spg2
K19Ce11S30 KPt2S3 CePt5 PtS
2024-05-05 21:36:40.508757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011474544).
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
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# CIF generated by HEAS from Alexandria entry agm011474544
data_agm011474544
_cell_length_a 8.97969
_cell_length_b 8.97969
_cell_length_c 7.88683
_cell_angle_alpha 54.38063
_cell_angle_beta 54.38063
_cell_angle_gamma 24.65976
_cell_volume 213.03303
_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 0.87294 0.87294 0.69197 1.00000
K2 K 0.12706 0.12706 0.30803 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.30950 0.30950 0.34538 1.00000
Pt2 Pt 0.69050 0.69050 0.65462 1.00000
S1 S 0.80609 0.80609 0.18064 1.00000
S2 S 0.19391 0.19391 0.81936 1.00000
S3 S 0.47320 0.47320 0.28268 1.00000
S4 S 0.52680 0.52680 0.71732 1.00000
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