YHo2NbN4
Alexandria ALEXAlex-ID: agm017608235 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_1023_spg46
Y4HoN5 YHo4N5 HoNbN2
2024-06-27 09:49:42.151942
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017608235).
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 agm017608235
data_agm017608235
_cell_length_a 6.71094
_cell_length_b 6.71094
_cell_length_c 6.71094
_cell_angle_alpha 119.65651
_cell_angle_beta 120.13204
_cell_angle_gamma 90.18371
_cell_volume 214.05084
_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
Y1 Y 0.00000 0.00000 0.50000 1.00000
Y2 Y 0.00000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.50000 0.00000 0.00000 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
Ho4 Ho 0.00000 0.50000 0.50000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.50000 0.00000 0.50000 1.00000
N1 N 0.26274 0.76107 0.50167 1.00000
N2 N 0.75940 0.76107 0.99833 1.00000
N3 N 0.24060 0.23893 0.00167 1.00000
N4 N 0.73726 0.23893 0.49833 1.00000
N5 N 0.25084 0.23614 0.48530 1.00000
N6 N 0.25084 0.76555 0.01470 1.00000
N7 N 0.74916 0.23445 0.98530 1.00000
N8 N 0.74916 0.76386 0.51470 1.00000
Get direct link