TbDyN2
Alexandria ALEXAlex-ID: agm076764071 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12510_spg1
TbDy4N5 Tb4DyN5
2025-01-15 04:48:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076764071).
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 agm076764071
data_agm076764071
_cell_length_a 6.03714
_cell_length_b 6.03673
_cell_length_c 10.45702
_cell_angle_alpha 84.48439
_cell_angle_beta 73.22725
_cell_angle_gamma 80.41485
_cell_volume 359.32738
_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
Tb1 Tb 0.14598 0.97918 0.35407 1.00000
Tb2 Tb 0.22906 0.22929 0.77089 1.00000
Tb3 Tb 0.56270 0.22944 0.43735 1.00000
Tb4 Tb 0.47926 0.97939 0.02090 1.00000
Tb5 Tb 0.97889 0.47975 0.52094 1.00000
Tb6 Tb 0.06229 0.72911 0.93761 1.00000
Dy1 Dy 0.72931 0.72915 0.27072 1.00000
Dy2 Dy 0.81236 0.97913 0.68763 1.00000
Dy3 Dy 0.64574 0.47927 0.85421 1.00000
Dy4 Dy 0.39603 0.72945 0.60422 1.00000
Dy5 Dy 0.89543 0.22972 0.10429 1.00000
Dy6 Dy 0.31267 0.47941 0.18733 1.00000
N1 N 0.52196 0.10436 0.22878 1.00000
N2 N 0.85349 0.10496 0.89570 1.00000
N3 N 0.60436 0.35429 0.64643 1.00000
N4 N 0.02022 0.60495 0.72906 1.00000
N5 N 0.68706 0.60257 0.06295 1.00000
N6 N 0.18714 0.10256 0.56297 1.00000
N7 N 0.35529 0.60439 0.39546 1.00000
N8 N 0.93791 0.35514 0.31140 1.00000
N9 N 0.43891 0.85286 0.81170 1.00000
N10 N 0.10315 0.85365 0.14615 1.00000
N11 N 0.27093 0.35433 0.97977 1.00000
N12 N 0.76987 0.85364 0.47949 1.00000
