CdFe(H4Rh)2
Alexandria ALEXAlex-ID: agm007446868 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_186_spg1
CdH4 CdH2Rh FeH H8Rh3
2024-03-21 09:23:48.373560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007446868).
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 agm007446868
data_agm007446868
_cell_length_a 4.49527
_cell_length_b 5.07621
_cell_length_c 4.96132
_cell_angle_alpha 81.46283
_cell_angle_beta 89.31603
_cell_angle_gamma 64.34529
_cell_volume 100.74663
_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
Cd1 Cd 0.50000 0.00000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
H1 H 0.59483 0.35398 0.18398 1.00000
H2 H 0.31931 0.77583 0.26260 1.00000
H3 H 0.03244 0.33675 0.17351 1.00000
H4 H 0.40517 0.64602 0.81602 1.00000
H5 H 0.96756 0.66325 0.82649 1.00000
H6 H 0.68069 0.22417 0.73740 1.00000
H7 H 0.09663 0.22986 0.72854 1.00000
H8 H 0.90337 0.77014 0.27146 1.00000
Rh1 Rh 0.66623 0.66718 0.07949 1.00000
Rh2 Rh 0.33377 0.33282 0.92051 1.00000
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