Dy3Y2N4
Alexandria ALEXAlex-ID: agm005688518 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
DyY15 Dy6N5 Y6N5
2023-06-27 19:22:22.306784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688518).
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
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# CIF generated by HEAS from Alexandria entry agm005688518
data_agm005688518
_cell_length_a 3.49183
_cell_length_b 6.06073
_cell_length_c 7.79657
_cell_angle_alpha 75.48876
_cell_angle_beta 77.05983
_cell_angle_gamma 73.25758
_cell_volume 150.90076
_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 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.20410 0.40174 0.19006 1.00000
Dy3 Dy 0.79590 0.59826 0.80994 1.00000
Y1 Y 0.60629 0.17665 0.61076 1.00000
Y2 Y 0.39371 0.82335 0.38924 1.00000
N1 N 0.80004 0.09691 0.30301 1.00000
N2 N 0.19996 0.90309 0.69699 1.00000
N3 N 0.39773 0.30230 0.90224 1.00000
N4 N 0.60227 0.69770 0.09776 1.00000
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