KDyBeS3
Alexandria ALEXAlex-ID: agm005035443 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_1_spg11
KDyS2 BeS
2022-07-05 12:16:34.604472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005035443).
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 agm005035443
data_agm005035443
_cell_length_a 3.85885
_cell_length_b 8.90830
_cell_length_c 9.08091
_cell_angle_alpha 107.95507
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 296.96039
_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 0.25000 0.19766 0.22942 1.00000
K2 K 0.75000 0.80234 0.77058 1.00000
Dy1 Dy 0.25000 0.66616 0.15094 1.00000
Dy2 Dy 0.75000 0.33384 0.84906 1.00000
Be1 Be 0.25000 0.07479 0.60273 1.00000
Be2 Be 0.75000 0.92521 0.39727 1.00000
S1 S 0.75000 0.88543 0.16090 1.00000
S2 S 0.25000 0.11457 0.83910 1.00000
S3 S 0.25000 0.83323 0.47169 1.00000
S4 S 0.75000 0.16677 0.52831 1.00000
S5 S 0.75000 0.45603 0.16192 1.00000
S6 S 0.25000 0.54397 0.83808 1.00000
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