K2DyI5
Alexandria ALEXAlex-ID: agm005898538 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_256_spg55
K3DyI6 DyI3
2023-08-26 07:49:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005898538).
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 agm005898538
data_agm005898538
_cell_length_a 9.30969
_cell_length_b 9.74956
_cell_length_c 14.48545
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1314.77768
_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 0.42096 0.50729 0.82922 1.00000
K2 K 0.57904 0.49271 0.17078 1.00000
K3 K 0.92096 0.49271 0.67078 1.00000
K4 K 0.57904 0.00729 0.17078 1.00000
K5 K 0.07904 0.50729 0.32922 1.00000
K6 K 0.42096 0.99271 0.82922 1.00000
K7 K 0.07904 0.99271 0.32922 1.00000
K8 K 0.92096 0.00729 0.67078 1.00000
Dy1 Dy 0.42183 0.25000 0.50579 1.00000
Dy2 Dy 0.57817 0.75000 0.49421 1.00000
Dy3 Dy 0.92183 0.75000 0.99421 1.00000
Dy4 Dy 0.07817 0.25000 0.00579 1.00000
I1 I 0.07985 0.25000 0.51016 1.00000
I2 I 0.92015 0.75000 0.48984 1.00000
I3 I 0.57985 0.75000 0.98984 1.00000
I4 I 0.42015 0.25000 0.01016 1.00000
I5 I 0.33016 0.95263 0.56480 1.00000
I6 I 0.66984 0.04737 0.43520 1.00000
I7 I 0.83016 0.04737 0.93520 1.00000
I8 I 0.66984 0.45263 0.43520 1.00000
I9 I 0.16984 0.95263 0.06480 1.00000
I10 I 0.33016 0.54737 0.56480 1.00000
I11 I 0.16984 0.54737 0.06480 1.00000
I12 I 0.83016 0.45263 0.93520 1.00000
I13 I 0.14506 0.25000 0.79843 1.00000
I14 I 0.85494 0.75000 0.20157 1.00000
I15 I 0.64506 0.75000 0.70157 1.00000
I16 I 0.35494 0.25000 0.29843 1.00000
I17 I 0.60127 0.25000 0.68605 1.00000
I18 I 0.39873 0.75000 0.31395 1.00000
I19 I 0.10127 0.75000 0.81395 1.00000
I20 I 0.89873 0.25000 0.18605 1.00000
