Hf2PtRh3
Alexandria ALEXAlex-ID: agm005661802 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_620_spg227
HfPt2Rh Hf3Rh5
2023-08-24 14:06:54.728572
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661802).
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 agm005661802
data_agm005661802
_cell_length_a 8.43930
_cell_length_b 8.43930
_cell_length_c 8.51180
_cell_angle_alpha 119.71865
_cell_angle_beta 119.71864
_cell_angle_gamma 90.00000
_cell_volume 432.28585
_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 0.89990 0.69898 0.79980 1.00000
Hf2 Hf 0.35010 0.64918 0.70020 1.00000
Hf3 Hf 0.30102 0.10010 0.20020 1.00000
Hf4 Hf 0.35082 0.64990 0.29980 1.00000
Hf5 Hf 0.89918 0.10010 0.20020 1.00000
Hf6 Hf 0.94898 0.64990 0.29980 1.00000
Hf7 Hf 0.35010 0.05102 0.70020 1.00000
Hf8 Hf 0.89990 0.10082 0.79980 1.00000
Pt1 Pt 0.28348 0.28348 0.56696 1.00000
Pt2 Pt 0.71652 0.71652 0.43304 1.00000
Pt3 Pt 0.53348 0.03348 0.06696 1.00000
Pt4 Pt 0.96652 0.46652 0.93304 1.00000
Rh1 Rh 0.28602 0.71398 1.00000 1.00000
Rh2 Rh 0.12500 0.87500 0.25000 1.00000
Rh3 Rh 0.12500 0.37500 0.25000 1.00000
Rh4 Rh 0.71398 0.71398 1.00000 1.00000
Rh5 Rh 0.71398 0.28602 0.00000 1.00000
Rh6 Rh 0.96398 0.46398 0.50000 1.00000
Rh7 Rh 0.62500 0.87500 0.75000 1.00000
Rh8 Rh 0.12500 0.87500 0.75000 1.00000
Rh9 Rh 0.53602 0.03602 0.50000 1.00000
Rh10 Rh 0.53602 0.46398 0.50000 1.00000
Rh11 Rh 0.28602 0.28602 0.00000 1.00000
Rh12 Rh 0.96398 0.03602 0.50000 1.00000
