NpZn(CuH4)2
Alexandria ALEXAlex-ID: agm007479727 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_708_spg12
Zn8Cu5 NpH3 Cu CuH4
2024-08-07 23:54:47.844353
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007479727).
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 agm007479727
data_agm007479727
_cell_length_a 4.08483
_cell_length_b 4.60533
_cell_length_c 6.20043
_cell_angle_alpha 82.88856
_cell_angle_beta 109.21247
_cell_angle_gamma 115.96512
_cell_volume 98.99975
_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 0.22597 0.46850 0.74500 1.00000
Zn1 Zn 0.42927 0.58930 0.27147 1.00000
Cu1 Cu 0.70227 0.18238 0.13768 1.00000
Cu2 Cu 0.38605 0.06315 0.49626 1.00000
H1 H 0.19142 0.96453 0.72184 1.00000
H2 H 0.95523 0.16600 0.41188 1.00000
H3 H 0.82183 0.46091 0.93935 1.00000
H4 H 0.14961 0.68935 0.39406 1.00000
H5 H 0.30027 0.23481 0.08582 1.00000
H6 H 0.72350 0.96591 0.71343 1.00000
H7 H 0.58408 0.80646 0.05300 1.00000
H8 H 0.63696 0.47466 0.55790 1.00000
Get direct link