Hf2TaH8
Alexandria ALEXAlex-ID: agm003529664 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_368_spg12
Hf4H15 Hf(TaH4)2 HfH2
2022-03-15 08:35:38.683687
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003529664).
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 agm003529664
data_agm003529664
_cell_length_a 3.12276
_cell_length_b 4.69029
_cell_length_c 6.28852
_cell_angle_alpha 110.62607
_cell_angle_beta 104.37637
_cell_angle_gamma 90.00000
_cell_volume 83.11286
_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 0.83083 0.33745 0.66165 1.00000
Hf2 Hf 0.16917 0.66255 0.33835 1.00000
Ta1 Ta 0.50000 0.00000 0.00000 1.00000
H1 H 0.41925 0.56880 0.83850 1.00000
H2 H 0.66460 0.95711 0.32921 1.00000
H3 H 0.77067 0.67554 0.54134 1.00000
H4 H 0.97455 0.21267 0.94909 1.00000
H5 H 0.22933 0.32446 0.45866 1.00000
H6 H 0.33540 0.04289 0.67079 1.00000
H7 H 0.58075 0.43120 0.16150 1.00000
H8 H 0.02545 0.78733 0.05091 1.00000
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