K4PrS8
Alexandria ALEXAlex-ID: agm098199819 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1367_spg1
K2S3 KPrS2 KS3
2025-06-19 12:53:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098199819).
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 agm098199819
data_agm098199819
_cell_length_a 4.78978
_cell_length_b 9.23348
_cell_length_c 10.49877
_cell_angle_alpha 114.42743
_cell_angle_beta 88.52051
_cell_angle_gamma 90.15306
_cell_volume 422.60214
_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 0.04696 0.86390 0.75596 1.00000
K2 K 0.06850 0.03347 0.48679 1.00000
K3 K 0.05697 0.39801 0.88575 1.00000
K4 K 0.07534 0.49851 0.37384 1.00000
Pr1 Pr 0.53855 0.05786 0.13999 1.00000
S1 S 0.58974 0.26689 0.42720 1.00000
S2 S 0.55465 0.15107 0.91708 1.00000
S3 S 0.56094 0.81866 0.53523 1.00000
S4 S 0.26745 0.76546 0.98456 1.00000
S5 S 0.57977 0.34836 0.11442 1.00000
S6 S 0.56094 0.25577 0.62013 1.00000
S7 S 0.04000 0.91201 0.16706 1.00000
S8 S 0.56020 0.63003 0.59197 1.00000
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