VCu(H4Rh)2
Alexandria ALEXAlex-ID: agm007168543 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_227_spg1
CuH4 VH2 Cu H8Rh3
2025-05-27 09:17:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007168543).
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 agm007168543
data_agm007168543
_cell_length_a 4.42183
_cell_length_b 5.23023
_cell_length_c 5.01841
_cell_angle_alpha 89.80989
_cell_angle_beta 63.86627
_cell_angle_gamma 64.88516
_cell_volume 91.90702
_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
V1 V 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.48781 0.81801 0.70543 1.00000
H2 H 0.18522 0.33738 0.78032 1.00000
H3 H 0.51219 0.18199 0.29457 1.00000
H4 H 0.98669 0.81889 0.70673 1.00000
H5 H 0.01331 0.18111 0.29327 1.00000
H6 H 0.69842 0.33649 0.78069 1.00000
H7 H 0.30158 0.66351 0.21931 1.00000
H8 H 0.81478 0.66262 0.21968 1.00000
Rh1 Rh 0.72510 0.64734 0.90217 1.00000
Rh2 Rh 0.27490 0.35266 0.09783 1.00000
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