KEuPS4
Alexandria ALEXAlex-ID: agm005281087 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_138_spg62
KEuPS4
2023-05-12 06:59:51.365460
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281087).
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 agm005281087
data_agm005281087
_cell_length_a 6.60629
_cell_length_b 6.66268
_cell_length_c 17.00921
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 748.67085
_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 0.96264 0.75000 0.28550 1.00000
K2 K 0.53736 0.75000 0.78550 1.00000
K3 K 0.03736 0.25000 0.71450 1.00000
K4 K 0.46264 0.25000 0.21450 1.00000
Eu1 Eu 0.28949 0.25000 0.47695 1.00000
Eu2 Eu 0.71051 0.75000 0.52305 1.00000
Eu3 Eu 0.78949 0.75000 0.02305 1.00000
Eu4 Eu 0.21051 0.25000 0.97695 1.00000
P1 P 0.77886 0.25000 0.40567 1.00000
P2 P 0.27886 0.75000 0.09433 1.00000
P3 P 0.72114 0.25000 0.90567 1.00000
P4 P 0.22114 0.75000 0.59433 1.00000
S1 S 0.02946 0.25000 0.33507 1.00000
S2 S 0.47054 0.25000 0.83507 1.00000
S3 S 0.59935 0.00362 0.38349 1.00000
S4 S 0.40065 0.50362 0.61651 1.00000
S5 S 0.90065 0.00362 0.88349 1.00000
S6 S 0.85209 0.25000 0.52340 1.00000
S7 S 0.35209 0.75000 0.97660 1.00000
S8 S 0.40065 0.99638 0.61651 1.00000
S9 S 0.14791 0.75000 0.47660 1.00000
S10 S 0.59935 0.49638 0.38349 1.00000
S11 S 0.09935 0.99638 0.11651 1.00000
S12 S 0.90065 0.49638 0.88349 1.00000
S13 S 0.64791 0.25000 0.02340 1.00000
S14 S 0.97054 0.75000 0.66493 1.00000
S15 S 0.09935 0.50362 0.11651 1.00000
S16 S 0.52946 0.75000 0.16493 1.00000
