Dy3Zr2N4
Alexandria ALEXAlex-ID: agm005690294 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_992_spg12
Dy5ZrN6 Zr2N Dy
2023-06-27 19:28:40.022027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690294).
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 agm005690294
data_agm005690294
_cell_length_a 3.42608
_cell_length_b 5.96782
_cell_length_c 7.41609
_cell_angle_alpha 77.07969
_cell_angle_beta 76.64464
_cell_angle_gamma 73.31880
_cell_volume 139.29482
_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 0.19490 0.40537 0.20483 1.00000
Dy3 Dy 0.80510 0.59463 0.79517 1.00000
Zr1 Zr 0.61156 0.16312 0.61376 1.00000
Zr2 Zr 0.38844 0.83688 0.38624 1.00000
N1 N 0.79716 0.09411 0.31156 1.00000
N2 N 0.20284 0.90589 0.68844 1.00000
N3 N 0.40562 0.29814 0.89061 1.00000
N4 N 0.59438 0.70186 0.10939 1.00000
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