Dy(PO)2
Alexandria ALEXAlex-ID: agm005252517 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1137_spg141
Dy2O3 DyPO4 P
2023-05-08 08:05:20.849908
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005252517).
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 agm005252517
data_agm005252517
_cell_length_a 7.94645
_cell_length_b 7.94645
_cell_length_c 7.94645
_cell_angle_alpha 104.38761
_cell_angle_beta 104.38761
_cell_angle_gamma 120.20128
_cell_volume 375.95562
_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 0.12500 0.87500 0.25000 1.00000
Dy2 Dy 0.62500 0.87500 0.75000 1.00000
Dy3 Dy 0.12500 0.37500 0.25000 1.00000
Dy4 Dy 0.12500 0.87500 0.75000 1.00000
P1 P 0.02750 0.23864 0.78886 1.00000
P2 P 0.44977 0.23864 0.21114 1.00000
P3 P 0.48864 0.19977 0.71114 1.00000
P4 P 0.80023 0.51136 0.28886 1.00000
P5 P 0.22250 0.51136 0.71114 1.00000
P6 P 0.48864 0.77750 0.28886 1.00000
P7 P 0.76136 0.55023 0.78886 1.00000
P8 P 0.76136 0.97250 0.21114 1.00000
O1 O 0.78134 0.12803 0.65330 1.00000
O2 O 0.47473 0.12803 0.34670 1.00000
O3 O 0.37803 0.22473 0.84670 1.00000
O4 O 0.77527 0.62197 0.15330 1.00000
O5 O 0.46866 0.62197 0.84670 1.00000
O6 O 0.37803 0.53134 0.15330 1.00000
O7 O 0.87197 0.52527 0.65330 1.00000
O8 O 0.87197 0.21866 0.34670 1.00000
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