Hf2VH7
Alexandria ALEXAlex-ID: agm006207671 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
Hf(VH3)2 Hf4H15 HfH2
2024-02-06 12:22:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207671).
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 agm006207671
data_agm006207671
_cell_length_a 4.41712
_cell_length_b 4.41709
_cell_length_c 6.41185
_cell_angle_alpha 110.08879
_cell_angle_beta 69.88475
_cell_angle_gamma 119.99850
_cell_volume 99.44437
_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
H1 H 0.09165 0.77483 0.17932 1.00000
H2 H 0.85485 0.93673 0.81430 1.00000
H3 H 0.39260 0.47450 0.81439 1.00000
H4 H 0.09176 0.23698 0.17921 1.00000
H5 H 0.47319 0.85539 0.49680 1.00000
H6 H 0.55392 0.23708 0.17929 1.00000
H7 H 0.85469 0.47459 0.81444 1.00000
Hf1 Hf 0.36530 0.96389 0.82061 1.00000
Hf2 Hf 0.58118 0.74762 0.17300 1.00000
V1 V 0.97326 0.35579 0.99680 1.00000
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