Hf2BiH6
Alexandria ALEXAlex-ID: agm097924722 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6285_spg38
Hf4H15 HfH2 Bi
2025-04-06 23:32:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097924722).
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 agm097924722
data_agm097924722
_cell_length_a 3.44393
_cell_length_b 3.57685
_cell_length_c 7.67638
_cell_angle_alpha 89.28745
_cell_angle_beta 90.00103
_cell_angle_gamma 90.00456
_cell_volume 94.55371
_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 0.05543 0.15517 0.99845 1.00000
Hf2 Hf 0.05570 0.69094 0.59809 1.00000
Bi1 Bi 0.55560 0.19743 0.35194 1.00000
H1 H 0.05590 0.67514 0.84978 1.00000
H2 H 0.55579 0.73360 0.69932 1.00000
H3 H 0.05522 0.65928 0.11531 1.00000
H4 H 0.05556 0.18372 0.71799 1.00000
H5 H 0.55537 0.86672 0.01018 1.00000
H6 H 0.55543 0.33800 0.90894 1.00000
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