Tb2Np3N6
Alexandria ALEXAlex-ID: agm012102999 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_95_spg12
Tb5NpN6 NpN Np2N3
2024-05-30 14:49:45.638426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012102999).
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 agm012102999
data_agm012102999
_cell_length_a 3.56767
_cell_length_b 6.26368
_cell_length_c 8.83704
_cell_angle_alpha 72.36813
_cell_angle_beta 85.46027
_cell_angle_gamma 85.40315
_cell_volume 187.28340
_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 0.73579 0.53424 0.82179 1.00000
Tb2 Tb 0.26421 0.46576 0.17821 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.21828 0.03510 0.66148 1.00000
Np3 Np 0.78172 0.96490 0.33852 1.00000
N1 N 0.38743 0.83326 0.19475 1.00000
N2 N 0.79676 0.28981 0.10503 1.00000
N3 N 0.61257 0.16674 0.80525 1.00000
N4 N 0.20324 0.71019 0.89497 1.00000
N5 N 0.25586 0.14768 0.40313 1.00000
N6 N 0.74414 0.85232 0.59687 1.00000
Get direct link