NdZn(CuH4)2
Alexandria ALEXAlex-ID: agm007479099 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
Zn8Cu5 NdH3 Cu CuH4
2024-02-08 21:59:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007479099).
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 agm007479099
data_agm007479099
_cell_length_a 4.48149
_cell_length_b 4.48149
_cell_length_c 7.05643
_cell_angle_alpha 58.72381
_cell_angle_beta 58.72381
_cell_angle_gamma 67.60441
_cell_volume 102.30926
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.47365 0.47365 0.33505 1.00000
Cu2 Cu 0.52635 0.52635 0.66495 1.00000
H1 H 0.51513 0.51513 0.91893 1.00000
H2 H 0.79282 0.79282 0.43336 1.00000
H3 H 0.48487 0.48487 0.08107 1.00000
H4 H 0.20718 0.20718 0.56664 1.00000
H5 H 0.38035 0.90437 0.21269 1.00000
H6 H 0.61965 0.09563 0.78731 1.00000
H7 H 0.90437 0.38035 0.21269 1.00000
H8 H 0.09563 0.61965 0.78731 1.00000
Get direct link