Hf2Pt3Rh
Alexandria ALEXAlex-ID: agm005604395 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_17_spg72
Hf3Rh5 Hf2Pt5Rh HfPt
2023-08-24 14:39:48.254256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604395).
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 agm005604395
data_agm005604395
_cell_length_a 5.60962
_cell_length_b 5.60828
_cell_length_c 7.83636
_cell_angle_alpha 110.96743
_cell_angle_beta 110.97266
_cell_angle_gamma 89.99999
_cell_volume 212.62716
_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 0.41432 0.16460 0.32919 1.00000
Hf2 Hf 0.58568 0.83540 0.67081 1.00000
Hf3 Hf 0.08513 0.33540 0.67081 1.00000
Hf4 Hf 0.91487 0.66460 0.32919 1.00000
Pt1 Pt 0.38766 0.64136 0.28272 1.00000
Pt2 Pt 0.61234 0.35864 0.71728 1.00000
Pt3 Pt 0.10494 0.85864 0.71728 1.00000
Pt4 Pt 0.89506 0.14136 0.28272 1.00000
Pt5 Pt 0.50000 0.75000 0.00000 1.00000
Pt6 Pt 0.50000 0.25000 0.00000 1.00000
Rh1 Rh 0.00000 0.25000 0.00000 1.00000
Rh2 Rh 0.00000 0.75000 0.00000 1.00000
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