Hf2H6Rh
Alexandria ALEXAlex-ID: agm006551008 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_330_spg2
Hf4H15 HfH2 HfHRh3
2025-05-27 04:48:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006551008).
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 agm006551008
data_agm006551008
_cell_length_a 5.06990
_cell_length_b 3.77828
_cell_length_c 5.04590
_cell_angle_alpha 90.93258
_cell_angle_beta 114.38507
_cell_angle_gamma 114.62890
_cell_volume 77.92738
_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
Hf1 Hf 0.42840 0.69945 0.20787 1.00000
Hf2 Hf 0.57160 0.30055 0.79213 1.00000
H1 H 0.78563 0.70428 0.58784 1.00000
H2 H 0.99735 0.67627 0.18981 1.00000
H3 H 0.00265 0.32373 0.81019 1.00000
H4 H 0.34336 0.14953 0.04397 1.00000
H5 H 0.65664 0.85047 0.95603 1.00000
H6 H 0.21437 0.29572 0.41216 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
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