NaCu(H3Rh)2
Alexandria ALEXAlex-ID: agm007394240 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_17_spg2
Na(H3Rh)2 Cu
2024-03-15 22:53:05.933581
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007394240).
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 agm007394240
data_agm007394240
_cell_length_a 4.82403
_cell_length_b 4.80184
_cell_length_c 4.89735
_cell_angle_alpha 120.79473
_cell_angle_beta 119.31510
_cell_angle_gamma 88.53791
_cell_volume 81.03953
_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
Na1 Na 0.76502 0.22989 0.52738 1.00000
Cu1 Cu 0.29593 0.72288 0.54913 1.00000
H1 H 0.72955 0.72151 0.52721 1.00000
H2 H 0.27018 0.11816 0.92113 1.00000
H3 H 0.84849 0.32169 0.09269 1.00000
H4 H 0.26990 0.28665 0.52744 1.00000
H5 H 0.71811 0.75702 0.00771 1.00000
H6 H 0.24348 0.71662 0.11970 1.00000
Rh1 Rh 0.50457 0.47900 0.02454 1.00000
Rh2 Rh 0.01638 0.98497 0.02629 1.00000
Get direct link