DyU2P3
Alexandria ALEXAlex-ID: agm005658249 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
DyUP2 UP
2023-08-24 08:39:27.363552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658249).
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 agm005658249
data_agm005658249
_cell_length_a 5.58860
_cell_length_b 7.89575
_cell_length_c 11.88748
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.98669
_cell_volume 524.54950
_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 0.24972 0.87567 0.08171 1.00000
Dy2 Dy 0.24972 0.37567 0.41829 1.00000
Dy3 Dy 0.75028 0.62433 0.58171 1.00000
Dy4 Dy 0.75028 0.12433 0.91829 1.00000
U1 U 0.25062 0.87524 0.75162 1.00000
U2 U 0.25062 0.37524 0.74838 1.00000
U3 U 0.24968 0.87673 0.41635 1.00000
U4 U 0.24968 0.37673 0.08365 1.00000
U5 U 0.75032 0.62327 0.91635 1.00000
U6 U 0.75032 0.12327 0.58365 1.00000
U7 U 0.74938 0.62476 0.25162 1.00000
U8 U 0.74938 0.12476 0.24838 1.00000
P1 P 0.25028 0.62912 0.58505 1.00000
P2 P 0.25028 0.12912 0.91495 1.00000
P3 P 0.25034 0.62318 0.91530 1.00000
P4 P 0.25034 0.12318 0.58470 1.00000
P5 P 0.24936 0.62576 0.25113 1.00000
P6 P 0.24936 0.12576 0.24887 1.00000
P7 P 0.75064 0.87424 0.75113 1.00000
P8 P 0.75064 0.37424 0.74887 1.00000
P9 P 0.74966 0.87682 0.41530 1.00000
P10 P 0.74966 0.37682 0.08470 1.00000
P11 P 0.74972 0.87088 0.08505 1.00000
P12 P 0.74972 0.37088 0.41495 1.00000
