HoHf(H3Rh)2
Alexandria ALEXAlex-ID: agm007724196 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2144_spg15
Hf3Rh5 HfH2 HoH3Rh HoH6Rh
2024-05-04 03:41:18.990532
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007724196).
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 agm007724196
data_agm007724196
_cell_length_a 5.82429
_cell_length_b 5.82429
_cell_length_c 5.99023
_cell_angle_alpha 77.55822
_cell_angle_beta 77.55822
_cell_angle_gamma 100.64250
_cell_volume 187.99407
_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
Ho1 Ho 0.84167 0.15833 0.75000 1.00000
Ho2 Ho 0.15833 0.84167 0.25000 1.00000
Hf1 Hf 0.40407 0.59593 0.75000 1.00000
Hf2 Hf 0.59593 0.40407 0.25000 1.00000
H1 H 0.44276 0.90187 0.88264 1.00000
H2 H 0.09813 0.55724 0.61736 1.00000
H3 H 0.55724 0.09813 0.11736 1.00000
H4 H 0.90187 0.44276 0.38264 1.00000
H5 H 0.18690 0.20435 0.93742 1.00000
H6 H 0.79565 0.81310 0.56258 1.00000
H7 H 0.81310 0.79565 0.06258 1.00000
H8 H 0.20435 0.18690 0.43742 1.00000
H9 H 0.55084 0.34017 0.61110 1.00000
H10 H 0.65983 0.44916 0.88890 1.00000
H11 H 0.44916 0.65983 0.38890 1.00000
H12 H 0.34017 0.55084 0.11110 1.00000
Rh1 Rh 0.07168 0.32734 0.17540 1.00000
Rh2 Rh 0.67266 0.92832 0.32460 1.00000
Rh3 Rh 0.92832 0.67266 0.82460 1.00000
Rh4 Rh 0.32734 0.07168 0.67540 1.00000
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