Rb2LiCuH4
Alexandria ALEXAlex-ID: agm004769718 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_363_spg70
RbH RbCuH2 LiH
2022-07-14 08:53:26.821116
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004769718).
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 agm004769718
data_agm004769718
_cell_length_a 4.75260
_cell_length_b 6.26588
_cell_length_c 10.80046
_cell_angle_alpha 85.21364
_cell_angle_beta 77.28989
_cell_angle_gamma 67.71313
_cell_volume 290.30973
_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 0.17345 1.00000 0.65311 1.00000
Rb2 Rb 0.82655 0.00000 0.34689 1.00000
Rb3 Rb 0.57655 0.50000 0.84689 1.00000
Rb4 Rb 0.92345 0.50000 0.15311 1.00000
Li1 Li 0.75000 0.50000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.25000 0.50000 0.50000 1.00000
Cu2 Cu 0.50000 0.00000 0.00000 1.00000
H1 H 0.32015 0.83445 0.08444 1.00000
H2 H 0.23904 0.16555 0.91556 1.00000
H3 H 0.84541 0.83445 0.91556 1.00000
H4 H 0.59541 0.16555 0.08444 1.00000
H5 H 0.42985 0.66555 0.41556 1.00000
H6 H 0.51096 0.33445 0.58444 1.00000
H7 H 0.90459 0.66555 0.58444 1.00000
H8 H 0.15459 0.33445 0.41556 1.00000
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