DyY2P3
Alexandria ALEXAlex-ID: agm042018708 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
DyY3P4 Dy3YP4
2025-01-21 17:57:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042018708).
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 agm042018708
data_agm042018708
_cell_length_a 13.29537
_cell_length_b 12.68058
_cell_length_c 6.94477
_cell_angle_alpha 79.44586
_cell_angle_beta 69.65633
_cell_angle_gamma 30.89781
_cell_volume 547.37463
_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 0.91664 0.91664 0.08336 1.00000
Dy2 Dy 0.33336 0.33336 0.16664 1.00000
Dy3 Dy 0.16664 0.16664 0.33336 1.00000
Dy4 Dy 0.08336 0.08336 0.91664 1.00000
Y1 Y 0.99994 0.99994 0.50006 1.00000
Y2 Y 0.41671 0.41671 0.58329 1.00000
Y3 Y 0.83329 0.83329 0.66671 1.00000
Y4 Y 0.25006 0.25006 0.74994 1.00000
Y5 Y 0.74994 0.74994 0.25006 1.00000
Y6 Y 0.66671 0.66671 0.83329 1.00000
Y7 Y 0.58329 0.58329 0.41671 1.00000
Y8 Y 0.50006 0.50006 0.99994 1.00000
P1 P 0.66658 0.16657 0.83391 1.00000
P2 P 0.16657 0.66658 0.33294 1.00000
P3 P 0.58342 0.08343 0.41609 1.00000
P4 P 0.08343 0.58342 0.91706 1.00000
P5 P 0.49951 0.00049 0.00049 1.00000
P6 P 0.00049 0.49951 0.49951 1.00000
P7 P 0.91706 0.41609 0.08343 1.00000
P8 P 0.41609 0.91706 0.58342 1.00000
P9 P 0.33294 0.83391 0.16657 1.00000
P10 P 0.83391 0.33294 0.66658 1.00000
P11 P 0.75049 0.24951 0.24951 1.00000
P12 P 0.24951 0.75049 0.75049 1.00000
