Cu4H9Rh2
Alexandria ALEXAlex-ID: agm005642654 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_126_spg2
H8Rh3 Cu CuH4
2023-06-15 14:16:22.232044
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642654).
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 agm005642654
data_agm005642654
_cell_length_a 5.08264
_cell_length_b 4.39879
_cell_length_c 15.77103
_cell_angle_alpha 56.12384
_cell_angle_beta 64.24191
_cell_angle_gamma 58.13858
_cell_volume 243.66198
_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 0.31304 0.35427 0.98951 1.00000
Cu2 Cu 0.27828 0.31633 0.44772 1.00000
Cu3 Cu 0.68696 0.64573 0.01049 1.00000
Cu4 Cu 0.34317 0.31587 0.16289 1.00000
Cu5 Cu 0.72172 0.68367 0.55228 1.00000
Cu6 Cu 0.53992 0.85081 0.35063 1.00000
Cu7 Cu 0.46008 0.14919 0.64937 1.00000
Cu8 Cu 0.65683 0.68413 0.83711 1.00000
H1 H 0.17017 0.35999 0.74490 1.00000
H2 H 0.31296 0.76413 0.73717 1.00000
H3 H 0.78372 0.09040 0.74848 1.00000
H4 H 0.82983 0.64001 0.25510 1.00000
H5 H 0.68704 0.23587 0.26283 1.00000
H6 H 0.21628 0.90960 0.25152 1.00000
H7 H 0.64844 0.30958 0.43233 1.00000
H8 H 0.16869 0.09745 0.40060 1.00000
H9 H 0.90315 0.68529 0.42393 1.00000
H10 H 0.73334 0.14245 0.09724 1.00000
H11 H 0.29893 0.84761 0.08201 1.00000
H12 H 0.00332 0.46640 0.09538 1.00000
H13 H 0.35156 0.69042 0.56767 1.00000
H14 H 0.83131 0.90255 0.59940 1.00000
H15 H 0.09685 0.31471 0.57607 1.00000
H16 H 0.26666 0.85755 0.90276 1.00000
H17 H 0.70107 0.15239 0.91799 1.00000
H18 H 0.99668 0.53360 0.90462 1.00000
Rh1 Rh 0.92492 0.13687 0.34133 1.00000
Rh2 Rh 0.97343 0.02761 0.17153 1.00000
Rh3 Rh 0.07508 0.86313 0.65867 1.00000
Rh4 Rh 0.02657 0.97239 0.82847 1.00000
