Hf2Pt6Rh
Alexandria ALEXAlex-ID: agm005672365 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_734_spg12
HfPt3 Rh
2023-07-09 07:05:17.132106
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672365).
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
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# CIF generated by HEAS from Alexandria entry agm005672365
data_agm005672365
_cell_length_a 3.95082
_cell_length_b 6.41092
_cell_length_c 6.43436
_cell_angle_alpha 107.84588
_cell_angle_beta 107.87911
_cell_angle_gamma 90.00000
_cell_volume 146.84024
_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 0.94162 0.18497 0.88324 1.00000
Hf2 Hf 0.05838 0.81503 0.11676 1.00000
Pt1 Pt 0.39489 0.83296 0.78977 1.00000
Pt2 Pt 0.60511 0.16704 0.21023 1.00000
Pt3 Pt 0.72001 0.83681 0.44001 1.00000
Pt4 Pt 0.16954 0.50899 0.33908 1.00000
Pt5 Pt 0.27999 0.16319 0.55999 1.00000
Pt6 Pt 0.83046 0.49101 0.66092 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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