TcPt6Rh
Alexandria ALEXAlex-ID: agm005756338 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_274_spg12
TcPt3 TcPt5Rh6 Pt
2023-07-25 05:17:21.985579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756338).
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 agm005756338
data_agm005756338
_cell_length_a 3.92056
_cell_length_b 4.83435
_cell_length_c 7.37368
_cell_angle_alpha 77.26404
_cell_angle_beta 74.58268
_cell_angle_gamma 66.07812
_cell_volume 122.14331
_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
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.25116 0.87092 0.62677 1.00000
Pt2 Pt 0.50238 0.24084 0.75440 1.00000
Pt3 Pt 0.25047 0.37642 0.12263 1.00000
Pt4 Pt 0.49762 0.75916 0.24560 1.00000
Pt5 Pt 0.74884 0.12908 0.37323 1.00000
Pt6 Pt 0.74953 0.62358 0.87737 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
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