Hf2H5W2
Alexandria ALEXAlex-ID: agm007132907 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_216_spg46
Hf4H15 HfH2 W
2024-06-24 12:03:12.588635
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007132907).
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 agm007132907
data_agm007132907
_cell_length_a 7.28751
_cell_length_b 7.28751
_cell_length_c 7.28751
_cell_angle_alpha 138.38346
_cell_angle_beta 134.54275
_cell_angle_gamma 63.31740
_cell_volume 180.86206
_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 0.50000 0.00000 0.50000 1.00000
Hf2 Hf 0.00000 0.50000 0.50000 1.00000
Hf3 Hf 0.35003 0.75000 0.60003 1.00000
Hf4 Hf 0.64997 0.25000 0.39997 1.00000
H1 H 0.80274 0.30274 0.00000 1.00000
H2 H 0.19726 0.19726 0.50000 1.00000
H3 H 0.80274 0.80274 0.50000 1.00000
H4 H 0.19726 0.69726 0.00000 1.00000
H5 H 0.66164 0.88964 0.77201 1.00000
H6 H 0.33836 0.11036 0.22799 1.00000
H7 H 0.61763 0.38964 0.22799 1.00000
H8 H 0.38237 0.61036 0.77201 1.00000
H9 H 0.00000 0.50000 0.00000 1.00000
H10 H 0.00000 0.00000 0.50000 1.00000
W1 W 0.26613 0.35516 0.91097 1.00000
W2 W 0.73387 0.64484 0.08903 1.00000
W3 W 0.94419 0.85516 0.08903 1.00000
W4 W 0.05581 0.14484 0.91097 1.00000
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