Hf2H6Pt
Alexandria ALEXAlex-ID: agm007295872 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_4979_spg14
Hf4H15 HfHPt HfPt3
2024-10-22 08:43:49.955676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007295872).
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 agm007295872
data_agm007295872
_cell_length_a 4.00230
_cell_length_b 5.77790
_cell_length_c 6.84469
_cell_angle_alpha 87.45803
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 158.12723
_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 0.48825 0.30625 0.82126 1.00000
Hf2 Hf 0.98825 0.69375 0.67874 1.00000
Hf3 Hf 0.01175 0.30625 0.32126 1.00000
Hf4 Hf 0.51175 0.69375 0.17874 1.00000
H1 H 0.01235 0.62165 0.20689 1.00000
H2 H 0.26680 0.43722 0.05410 1.00000
H3 H 0.17321 0.86821 0.40094 1.00000
H4 H 0.67321 0.13179 0.09906 1.00000
H5 H 0.76680 0.56278 0.44590 1.00000
H6 H 0.51235 0.37835 0.29311 1.00000
H7 H 0.98765 0.37835 0.79311 1.00000
H8 H 0.73320 0.56278 0.94590 1.00000
H9 H 0.82679 0.13179 0.59906 1.00000
H10 H 0.32679 0.86821 0.90094 1.00000
H11 H 0.23320 0.43722 0.55410 1.00000
H12 H 0.48765 0.62165 0.70689 1.00000
Pt1 Pt 0.50000 0.00000 0.50000 1.00000
Pt2 Pt 0.00000 0.00000 0.00000 1.00000
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