HfAl(H4Pt)2
Alexandria ALEXAlex-ID: agm007161107 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_236_spg2
Hf4H15 HfPt3 AlPt H2
2024-01-28 11:45:12.184626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007161107).
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 agm007161107
data_agm007161107
_cell_length_a 3.41003
_cell_length_b 4.53074
_cell_length_c 7.90988
_cell_angle_alpha 91.78235
_cell_angle_beta 102.60570
_cell_angle_gamma 112.14663
_cell_volume 109.59037
_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 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
H1 H 0.61279 0.75025 0.47516 1.00000
H2 H 0.01703 0.75526 0.27614 1.00000
H3 H 0.38721 0.24975 0.52484 1.00000
H4 H 0.28940 0.46317 0.11890 1.00000
H5 H 0.71060 0.53683 0.88110 1.00000
H6 H 0.75484 0.22694 0.26530 1.00000
H7 H 0.24516 0.77306 0.73470 1.00000
H8 H 0.98297 0.24474 0.72386 1.00000
Pt1 Pt 0.52871 0.82669 0.22801 1.00000
Pt2 Pt 0.47129 0.17331 0.77199 1.00000
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