DyWN3
Alexandria ALEXAlex-ID: agm017202716 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5001_spg15
DyWN3
2024-09-05 01:49:19.224790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017202716).
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 agm017202716
data_agm017202716
_cell_length_a 7.37254
_cell_length_b 7.37254
_cell_length_c 6.30026
_cell_angle_alpha 73.39751
_cell_angle_beta 73.39751
_cell_angle_gamma 81.41162
_cell_volume 313.63296
_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
Dy1 Dy 0.90955 0.09045 0.25000 1.00000
Dy2 Dy 0.09045 0.90955 0.75000 1.00000
Dy3 Dy 0.28850 0.71150 0.25000 1.00000
Dy4 Dy 0.71150 0.28850 0.75000 1.00000
W1 W 0.79897 0.62010 0.27463 1.00000
W2 W 0.37990 0.20103 0.22537 1.00000
W3 W 0.20103 0.37990 0.72537 1.00000
W4 W 0.62010 0.79897 0.77463 1.00000
N1 N 0.99872 0.78058 0.15461 1.00000
N2 N 0.21942 0.00128 0.34539 1.00000
N3 N 0.00128 0.21942 0.84539 1.00000
N4 N 0.78058 0.99872 0.65461 1.00000
N5 N 0.88665 0.37440 0.34037 1.00000
N6 N 0.62560 0.11335 0.15963 1.00000
N7 N 0.11335 0.62560 0.65963 1.00000
N8 N 0.37440 0.88665 0.84037 1.00000
N9 N 0.63349 0.65629 0.07226 1.00000
N10 N 0.34371 0.36651 0.42774 1.00000
N11 N 0.36651 0.34371 0.92774 1.00000
N12 N 0.65629 0.63349 0.57226 1.00000
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