Rb2ZnCdH6
Alexandria ALEXAlex-ID: agm007622734 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_392_spg2
Rb2ZnH4 Cd CdH4
2024-02-08 18:57:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007622734).
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 agm007622734
data_agm007622734
_cell_length_a 6.60204
_cell_length_b 6.63837
_cell_length_c 5.64193
_cell_angle_alpha 64.44551
_cell_angle_beta 65.11293
_cell_angle_gamma 50.44156
_cell_volume 168.15105
_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 0.78644 0.78644 0.71356 1.00000
Rb2 Rb 0.28644 0.28644 0.21356 1.00000
Zn1 Zn 0.04191 0.04191 0.95809 1.00000
Cd1 Cd 0.54184 0.54184 0.45816 1.00000
H1 H 0.27339 0.69459 0.72661 1.00000
H2 H 0.19823 0.19823 0.80177 1.00000
H3 H 0.69459 0.27339 0.30541 1.00000
H4 H 0.79218 0.17033 0.82967 1.00000
H5 H 0.71527 0.71527 0.28473 1.00000
H6 H 0.17033 0.79218 0.20782 1.00000
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