DyY2P3
Alexandria ALEXAlex-ID: agm017393225 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_31_spg52
DyY3P4 Dy3YP4
2025-01-21 17:58:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017393225).
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 agm017393225
data_agm017393225
_cell_length_a 5.67101
_cell_length_b 8.01245
_cell_length_c 12.04948
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 547.51307
_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 0.75000 0.87511 0.08338 1.00000
Dy2 Dy 0.75000 0.37511 0.41662 1.00000
Dy3 Dy 0.25000 0.62489 0.58338 1.00000
Dy4 Dy 0.25000 0.12489 0.91662 1.00000
Y1 Y 0.75000 0.87511 0.74995 1.00000
Y2 Y 0.75000 0.37511 0.75005 1.00000
Y3 Y 0.75000 0.87513 0.41667 1.00000
Y4 Y 0.75000 0.37513 0.08333 1.00000
Y5 Y 0.25000 0.62487 0.91667 1.00000
Y6 Y 0.25000 0.12487 0.58333 1.00000
Y7 Y 0.25000 0.62489 0.24995 1.00000
Y8 Y 0.25000 0.12489 0.25005 1.00000
P1 P 0.75000 0.62478 0.58318 1.00000
P2 P 0.75000 0.12478 0.91682 1.00000
P3 P 0.75000 0.62548 0.91689 1.00000
P4 P 0.75000 0.12548 0.58311 1.00000
P5 P 0.75000 0.62514 0.24993 1.00000
P6 P 0.75000 0.12514 0.25007 1.00000
P7 P 0.25000 0.87486 0.74993 1.00000
P8 P 0.25000 0.37486 0.75007 1.00000
P9 P 0.25000 0.87452 0.41689 1.00000
P10 P 0.25000 0.37452 0.08311 1.00000
P11 P 0.25000 0.87522 0.08318 1.00000
P12 P 0.25000 0.37522 0.41682 1.00000
