DyEr2N3
Alexandria ALEXAlex-ID: agm034658496 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
DyEr4N5 Dy4ErN5
2024-11-02 04:14:32.420431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034658496).
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 agm034658496
data_agm034658496
_cell_length_a 11.41919
_cell_length_b 10.88857
_cell_length_c 5.96360
_cell_angle_alpha 79.47276
_cell_angle_beta 69.63311
_cell_angle_gamma 30.89412
_cell_volume 346.41710
_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 0.58338 0.58338 0.41662 1.00000
Dy2 Dy 0.66662 0.66662 0.83338 1.00000
Dy3 Dy 0.83338 0.83338 0.66662 1.00000
Dy4 Dy 0.41662 0.41662 0.58338 1.00000
Er1 Er 0.00021 0.00021 0.49979 1.00000
Er2 Er 0.08317 0.08317 0.91683 1.00000
Er3 Er 0.16683 0.16683 0.33317 1.00000
Er4 Er 0.24979 0.24979 0.75021 1.00000
Er5 Er 0.75021 0.75021 0.24979 1.00000
Er6 Er 0.33317 0.33317 0.16683 1.00000
Er7 Er 0.91683 0.91683 0.08317 1.00000
Er8 Er 0.49979 0.49979 0.00021 1.00000
N1 N 0.33091 0.83493 0.16717 1.00000
N2 N 0.83493 0.33091 0.66699 1.00000
N3 N 0.91909 0.41507 0.08283 1.00000
N4 N 0.41507 0.91909 0.58301 1.00000
N5 N 0.49796 0.00204 0.00204 1.00000
N6 N 0.00204 0.49796 0.49796 1.00000
N7 N 0.58301 0.08283 0.41507 1.00000
N8 N 0.08283 0.58301 0.91909 1.00000
N9 N 0.66699 0.16717 0.83493 1.00000
N10 N 0.16717 0.66699 0.33091 1.00000
N11 N 0.75204 0.24796 0.24796 1.00000
N12 N 0.24796 0.75204 0.75204 1.00000
