Cu3(H2Rh)2
Alexandria ALEXAlex-ID: agm005657046 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_979_spg12
H8Rh3 Cu Rh
2023-06-27 04:06:10.988397
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657046).
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
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# CIF generated by HEAS from Alexandria entry agm005657046
data_agm005657046
_cell_length_a 2.83012
_cell_length_b 4.65497
_cell_length_c 7.03631
_cell_angle_alpha 94.53364
_cell_angle_beta 78.39816
_cell_angle_gamma 72.30263
_cell_volume 85.52452
_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
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.19899 0.45685 0.14518 1.00000
Cu3 Cu 0.80101 0.54315 0.85482 1.00000
H1 H 0.71335 0.13909 0.43420 1.00000
H2 H 0.28665 0.86091 0.56580 1.00000
H3 H 0.43206 0.43798 0.69790 1.00000
H4 H 0.56794 0.56202 0.30210 1.00000
Rh1 Rh 0.62627 0.06072 0.68674 1.00000
Rh2 Rh 0.37373 0.93928 0.31326 1.00000
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