Rb3Cd2InH8
Alexandria ALEXAlex-ID: agm006780098 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_184_spg164
RbH7 CdIn6 Rb2CdH4 CdH4
2024-01-28 17:11:15.687304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006780098).
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 agm006780098
data_agm006780098
_cell_length_a 6.22997
_cell_length_b 6.22997
_cell_length_c 8.16923
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 274.58922
_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 0.33333 0.66667 0.65947 1.00000
Rb2 Rb 0.66667 0.33333 0.34053 1.00000
Rb3 Rb 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.33333 0.66667 0.21097 1.00000
Cd2 Cd 0.66667 0.33333 0.78903 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
H1 H 0.33333 0.66667 0.99298 1.00000
H2 H 0.66667 0.33333 0.00702 1.00000
H3 H 0.17564 0.82436 0.31119 1.00000
H4 H 0.82436 0.17564 0.68881 1.00000
H5 H 0.17564 0.35128 0.31119 1.00000
H6 H 0.82436 0.64872 0.68881 1.00000
H7 H 0.64872 0.82436 0.31119 1.00000
H8 H 0.35128 0.17564 0.68881 1.00000
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