V3H9Rh2
Alexandria ALEXAlex-ID: agm006201839 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_685_spg12
V2HRh6 VH2 H8Rh3
2024-02-02 13:31:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201839).
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 agm006201839
data_agm006201839
_cell_length_a 4.78764
_cell_length_b 4.77736
_cell_length_c 5.10487
_cell_angle_alpha 71.09555
_cell_angle_beta 90.05445
_cell_angle_gamma 120.29326
_cell_volume 93.47332
_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
Rh1 Rh 0.37500 0.77308 0.76724 1.00000
Rh2 Rh 0.60433 0.22941 0.23028 1.00000
V1 V 0.25654 0.52006 0.34129 1.00000
V2 V 0.98820 0.99972 0.00014 1.00000
V3 V 0.73121 0.48324 0.65507 1.00000
H1 H 0.93835 0.61922 0.30365 1.00000
H2 H 0.68829 0.84339 0.34183 1.00000
H3 H 0.39307 0.00182 0.99878 1.00000
H4 H 0.07029 0.87661 0.70794 1.00000
H5 H 0.83658 0.15280 0.66003 1.00000
H6 H 0.19522 0.12130 0.29279 1.00000
H7 H 0.31399 0.37986 0.69676 1.00000
H8 H 0.00126 0.38843 0.02306 1.00000
H9 H 0.60767 0.61105 0.98112 1.00000
Get direct link