Np5(TcH)2
Alexandria ALEXAlex-ID: agm007120383 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_616_spg2
Np Tc NpH3
2024-03-26 04:17:12.213697
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007120383).
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 agm007120383
data_agm007120383
_cell_length_a 4.13440
_cell_length_b 6.79994
_cell_length_c 6.75831
_cell_angle_alpha 52.19589
_cell_angle_beta 78.40613
_cell_angle_gamma 78.10288
_cell_volume 146.21178
_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
Np1 Np 0.50654 0.25744 0.74182 1.00000
Np2 Np 0.49346 0.74256 0.25818 1.00000
Np3 Np 0.16254 0.78050 0.79668 1.00000
Np4 Np 0.83746 0.21950 0.20332 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.10195 0.37050 0.36037 1.00000
Tc2 Tc 0.89805 0.62950 0.63963 1.00000
H1 H 0.43749 0.13111 0.51900 1.00000
H2 H 0.56251 0.86889 0.48100 1.00000
Get direct link