Dy(NO5)3
Alexandria ALEXAlex-ID: agm005290753 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C15_22_spg2
Dy(NO5)3
2023-05-01 22:06:16.771737
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290753).
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 agm005290753
data_agm005290753
_cell_length_a 7.89475
_cell_length_b 9.61123
_cell_length_c 10.63655
_cell_angle_alpha 55.94185
_cell_angle_beta 87.15403
_cell_angle_gamma 64.68984
_cell_volume 584.73217
_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 0.87085 0.63030 0.77182 1.00000
Dy2 Dy 0.12915 0.36970 0.22818 1.00000
N1 N 0.84570 0.91038 0.46120 1.00000
N2 N 0.15430 0.08962 0.53880 1.00000
N3 N 0.85369 0.64111 0.26452 1.00000
N4 N 0.14631 0.35889 0.73548 1.00000
N5 N 0.92676 0.82933 0.88000 1.00000
N6 N 0.07324 0.17067 0.12000 1.00000
O1 O 0.53338 0.64510 0.58185 1.00000
O2 O 0.46662 0.35490 0.41815 1.00000
O3 O 0.96252 0.44460 0.67475 1.00000
O4 O 0.03748 0.55540 0.32525 1.00000
O5 O 0.59844 0.58269 0.72632 1.00000
O6 O 0.40156 0.41731 0.27368 1.00000
O7 O 0.79722 0.91317 0.75892 1.00000
O8 O 0.20278 0.08683 0.24108 1.00000
O9 O 0.00806 0.78647 0.56815 1.00000
O10 O 0.99194 0.21353 0.43185 1.00000
O11 O 0.03969 0.64202 0.94822 1.00000
O12 O 0.96031 0.35798 0.05178 1.00000
O13 O 0.73091 0.74357 0.29262 1.00000
O14 O 0.26909 0.25643 0.70738 1.00000
O15 O 0.60459 0.66687 0.92311 1.00000
O16 O 0.39541 0.33313 0.07689 1.00000
O17 O 0.18897 0.39239 0.82902 1.00000
O18 O 0.81103 0.60761 0.17098 1.00000
O19 O 0.69669 0.89430 0.50951 1.00000
O20 O 0.30331 0.10570 0.49049 1.00000
O21 O 0.83260 0.03364 0.32560 1.00000
O22 O 0.16740 0.96636 0.67440 1.00000
O23 O 0.59147 0.39526 0.43530 1.00000
O24 O 0.40853 0.60474 0.56470 1.00000
O25 O 0.95034 0.90492 0.93318 1.00000
O26 O 0.04966 0.09508 0.06682 1.00000
O27 O 0.61525 0.17027 0.00943 1.00000
O28 O 0.38475 0.82973 0.99057 1.00000
O29 O 0.51284 0.16651 0.10417 1.00000
O30 O 0.48716 0.83349 0.89583 1.00000
