Rb4CdH5
Alexandria ALEXAlex-ID: agm006532776 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_355_spg79
Rb3Cd16 Rb3CdH5 RbH
2024-01-29 01:56:19.550931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006532776).
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 agm006532776
data_agm006532776
_cell_length_a 7.02867
_cell_length_b 7.02867
_cell_length_c 7.02867
_cell_angle_alpha 100.17375
_cell_angle_beta 100.17375
_cell_angle_gamma 130.29569
_cell_volume 240.31439
_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 0.60456 0.77492 0.40439 1.00000
Rb2 Rb 0.20016 0.60456 0.82964 1.00000
Rb3 Rb 0.77492 0.37053 0.17036 1.00000
Rb4 Rb 0.37053 0.20016 0.59561 1.00000
Cd1 Cd 0.94621 0.94621 0.00000 1.00000
H1 H 0.06198 0.22067 0.29386 1.00000
H2 H 0.76811 0.06198 0.84131 1.00000
H3 H 0.22067 0.92681 0.15869 1.00000
H4 H 0.92681 0.76811 0.70614 1.00000
H5 H 0.61576 0.61576 0.00000 1.00000
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