NaAg2(H3Rh)2
Alexandria ALEXAlex-ID: agm006536765 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_1107_spg12
Na(H3Rh)2 Ag
2024-03-04 00:24:55.608072
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006536765).
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 agm006536765
data_agm006536765
_cell_length_a 4.91741
_cell_length_b 5.51835
_cell_length_c 5.78334
_cell_angle_alpha 120.66813
_cell_angle_beta 97.70438
_cell_angle_gamma 89.69500
_cell_volume 133.40192
_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 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.73953 0.85037 0.42255 1.00000
Ag2 Ag 0.26047 0.14963 0.57745 1.00000
H1 H 0.09274 0.52133 0.71389 1.00000
H2 H 0.44598 0.31107 0.30511 1.00000
H3 H 0.34044 0.68727 0.26083 1.00000
H4 H 0.65956 0.31273 0.73917 1.00000
H5 H 0.55402 0.68893 0.69489 1.00000
H6 H 0.90726 0.47867 0.28611 1.00000
Rh1 Rh 0.75886 0.41045 0.53826 1.00000
Rh2 Rh 0.24114 0.58955 0.46174 1.00000
Get direct link