Nd2Hf2Np3
Alexandria ALEXAlex-ID: agm011363350 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_811_spg12
Nd Hf Np
2024-03-07 06:59:15.270162
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011363350).
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 agm011363350
data_agm011363350
_cell_length_a 3.61033
_cell_length_b 5.80951
_cell_length_c 8.66419
_cell_angle_alpha 109.70445
_cell_angle_beta 95.25528
_cell_angle_gamma 89.86868
_cell_volume 170.28562
_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 0.43979 0.18413 0.36877 1.00000
Nd2 Nd 0.56021 0.81587 0.63123 1.00000
Hf1 Hf 0.99789 0.63343 0.26700 1.00000
Hf2 Hf 0.00211 0.36657 0.73300 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.49898 0.29235 0.00026 1.00000
Np3 Np 0.50102 0.70765 0.99974 1.00000
Get direct link