K2RbCd2H7
Alexandria ALEXAlex-ID: agm006529068 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_383_spg12
KCd11 Rb2CdH4 K2CdH4 CdH4
2023-12-31 18:06:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006529068).
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 agm006529068
data_agm006529068
_cell_length_a 4.15954
_cell_length_b 4.15955
_cell_length_c 11.32280
_cell_angle_alpha 79.38236
_cell_angle_beta 79.38232
_cell_angle_gamma 90.00347
_cell_volume 189.13685
_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
H1 H 0.50000 0.50000 0.00000 1.00000
H2 H 0.30914 0.30914 0.38023 1.00000
H3 H 0.69086 0.69086 0.61977 1.00000
H4 H 0.90301 0.40308 0.19305 1.00000
H5 H 0.40308 0.90301 0.19305 1.00000
H6 H 0.59692 0.09699 0.80695 1.00000
H7 H 0.09699 0.59692 0.80695 1.00000
K1 K 0.81623 0.81622 0.36602 1.00000
K2 K 0.18377 0.18378 0.63398 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.59825 0.59825 0.80464 1.00000
Cd2 Cd 0.40175 0.40175 0.19536 1.00000
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