Nd2ZnN6
Alexandria ALEXAlex-ID: agm097364979 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6357_spg8
Zn3N2 N2 NdN
2025-04-08 13:47:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097364979).
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 agm097364979
data_agm097364979
_cell_length_a 4.04051
_cell_length_b 4.04053
_cell_length_c 7.96302
_cell_angle_alpha 89.91947
_cell_angle_beta 90.10518
_cell_angle_gamma 89.99833
_cell_volume 130.00246
_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
Nd1 Nd 0.05672 0.94361 0.94706 1.00000
Nd2 Nd 0.05411 0.94572 0.55294 1.00000
Zn1 Zn 0.55544 0.44463 0.75001 1.00000
N1 N 0.05583 0.44524 0.17639 1.00000
N2 N 0.55705 0.94448 0.32360 1.00000
N3 N 0.55553 0.94466 0.74999 1.00000
N4 N 0.55445 0.94404 0.17642 1.00000
N5 N 0.05542 0.44454 0.75002 1.00000
N6 N 0.05545 0.44309 0.32358 1.00000
Get direct link