NaDy(NO3)2
Alexandria ALEXAlex-ID: agm004945472 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_484_spg15
NaNO3 Dy(NO3)3 Dy2O3 N2
2022-07-27 21:25:27.747381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945472).
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 agm004945472
data_agm004945472
_cell_length_a 6.24177
_cell_length_b 6.24177
_cell_length_c 7.13161
_cell_angle_alpha 99.64841
_cell_angle_beta 99.64841
_cell_angle_gamma 105.27144
_cell_volume 257.60986
_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
Na1 Na 0.12421 0.87579 0.25000 1.00000
Na2 Na 0.87579 0.12421 0.75000 1.00000
Dy1 Dy 0.57432 0.42568 0.25000 1.00000
Dy2 Dy 0.42568 0.57432 0.75000 1.00000
N1 N 0.38075 0.11020 0.78724 1.00000
N2 N 0.88980 0.61925 0.71276 1.00000
N3 N 0.61925 0.88980 0.21276 1.00000
N4 N 0.11020 0.38075 0.28724 1.00000
O1 O 0.94850 0.47089 0.23370 1.00000
O2 O 0.52911 0.05150 0.26630 1.00000
O3 O 0.05150 0.52911 0.76630 1.00000
O4 O 0.47089 0.94850 0.73370 1.00000
O5 O 0.16407 0.24303 0.15053 1.00000
O6 O 0.75697 0.83593 0.34947 1.00000
O7 O 0.83593 0.75697 0.84947 1.00000
O8 O 0.24303 0.16407 0.65053 1.00000
O9 O 0.30271 0.53254 0.41336 1.00000
O10 O 0.46746 0.69729 0.08664 1.00000
O11 O 0.69729 0.46746 0.58664 1.00000
O12 O 0.53254 0.30271 0.91336 1.00000
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