Dy2NbTcN5
Alexandria ALEXAlex-ID: agm005163147 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
DyN6 DyTcN2 Dy(NbN2)2 DyN
2023-01-16 20:28:49.714023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005163147).
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 agm005163147
data_agm005163147
_cell_length_a 3.26682
_cell_length_b 6.83115
_cell_length_c 10.21719
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.83415
_cell_volume 221.39401
_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 0.85660 0.71320 0.79322 1.00000
Dy2 Dy 0.11137 0.22273 0.70008 1.00000
Dy3 Dy 0.14340 0.28680 0.29322 1.00000
Dy4 Dy 0.88863 0.77727 0.20008 1.00000
Nb1 Nb 0.77929 0.55859 0.51073 1.00000
Nb2 Nb 0.22071 0.44141 0.01073 1.00000
Tc1 Tc 0.52451 0.04901 0.96297 1.00000
Tc2 Tc 0.47549 0.95099 0.46297 1.00000
N1 N 0.36772 0.73545 0.00017 1.00000
N2 N 0.68134 0.36268 0.87245 1.00000
N3 N 0.48981 0.97963 0.78070 1.00000
N4 N 0.28296 0.56592 0.65145 1.00000
N5 N 0.95388 0.90777 0.55219 1.00000
N6 N 0.63228 0.26455 0.50017 1.00000
N7 N 0.31866 0.63732 0.37245 1.00000
N8 N 0.51019 0.02037 0.28070 1.00000
N9 N 0.71704 0.43408 0.15145 1.00000
N10 N 0.04612 0.09223 0.05219 1.00000
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