CaH6Rh
Alexandria ALEXAlex-ID: agm079227166 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_2220_spg44
Ca3(H6Rh)2 H8Rh3 H2
2025-06-26 15:38:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079227166).
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 agm079227166
data_agm079227166
_cell_length_a 4.89619
_cell_length_b 4.89641
_cell_length_c 4.90761
_cell_angle_alpha 111.50243
_cell_angle_beta 112.92089
_cell_angle_gamma 104.02626
_cell_volume 90.06732
_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
Ca1 Ca 0.63765 0.38757 0.37502 1.00000
H1 H 0.10536 0.92210 0.87459 1.00000
H2 H 0.51015 0.84632 0.79322 1.00000
H3 H 0.67263 0.35591 0.87550 1.00000
H4 H 0.67787 0.84189 0.95659 1.00000
H5 H 0.10432 0.35397 0.30685 1.00000
H6 H 0.67228 0.92251 0.44323 1.00000
Rh1 Rh 0.86973 0.11975 0.87502 1.00000
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