Rb2CuH5
Alexandria ALEXAlex-ID: agm006019953 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_680_spg42
RbCuH2 RbH7 RbH
2023-07-10 09:45:16.764261
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019953).
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 agm006019953
data_agm006019953
_cell_length_a 5.94400
_cell_length_b 5.94398
_cell_length_c 6.01314
_cell_angle_alpha 60.37960
_cell_angle_beta 60.38119
_cell_angle_gamma 90.00085
_cell_volume 151.93510
_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
Rb1 Rb 0.25016 0.75015 0.49971 1.00000
Rb2 Rb 0.75014 0.25014 0.49971 1.00000
Cu1 Cu 0.02695 0.02695 0.94611 1.00000
H1 H 0.81401 0.81401 0.01590 1.00000
H2 H 0.81402 0.17010 0.01589 1.00000
H3 H 0.17008 0.81400 0.01592 1.00000
H4 H 0.17008 0.17008 0.01591 1.00000
H5 H 0.22757 0.22758 0.54485 1.00000
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