RbH4C
Alexandria ALEXAlex-ID: agm005771795 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2317_spg62
H4C RbH RbC8
2023-07-10 01:58:27.176365
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771795).
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 agm005771795
data_agm005771795
_cell_length_a 4.95225
_cell_length_b 9.43348
_cell_length_c 13.31781
_cell_angle_alpha 89.99998
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 622.16712
_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 0.25000 0.06457 0.17017 1.00000
Rb2 Rb 0.75000 0.93543 0.82983 1.00000
Rb3 Rb 0.25000 0.43543 0.67017 1.00000
Rb4 Rb 0.75000 0.56457 0.32983 1.00000
H1 H 0.25000 0.89175 0.46388 1.00000
H2 H 0.75000 0.10825 0.53612 1.00000
H3 H 0.43054 0.68779 0.06604 1.00000
H4 H 0.25000 0.52507 0.08535 1.00000
H5 H 0.75000 0.39175 0.03612 1.00000
H6 H 0.06946 0.68779 0.06604 1.00000
H7 H 0.25000 0.60825 0.96388 1.00000
H8 H 0.93054 0.18779 0.43396 1.00000
H9 H 0.93054 0.31221 0.93396 1.00000
H10 H 0.75000 0.02507 0.41465 1.00000
H11 H 0.06946 0.81221 0.56604 1.00000
H12 H 0.75000 0.47493 0.91465 1.00000
H13 H 0.56946 0.31221 0.93396 1.00000
H14 H 0.25000 0.97493 0.58535 1.00000
H15 H 0.43054 0.81221 0.56604 1.00000
H16 H 0.56946 0.18779 0.43396 1.00000
C1 C 0.75000 0.37311 0.95471 1.00000
C2 C 0.25000 0.87311 0.54529 1.00000
C3 C 0.75000 0.12689 0.45471 1.00000
C4 C 0.25000 0.62689 0.04529 1.00000
