Th6Pt5Rh
Alexandria ALEXAlex-ID: agm034300210 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Th2PtRh ThPt
2025-02-06 11:21:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034300210).
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 agm034300210
data_agm034300210
_cell_length_a 9.38065
_cell_length_b 9.38065
_cell_length_c 8.39126
_cell_angle_alpha 76.86088
_cell_angle_beta 103.13912
_cell_angle_gamma 154.32666
_cell_volume 311.08920
_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
Th1 Th 0.66363 0.33637 0.58204 1.00000
Th2 Th 0.33333 0.66667 0.91630 1.00000
Th3 Th 0.33637 0.66363 0.41796 1.00000
Th4 Th 0.00073 0.99927 0.25647 1.00000
Th5 Th 0.99927 0.00073 0.74353 1.00000
Th6 Th 0.66667 0.33333 0.08370 1.00000
Pt1 Pt 0.16645 0.83355 0.83381 1.00000
Pt2 Pt 0.83355 0.16645 0.16619 1.00000
Pt3 Pt 0.50000 0.50000 0.00000 1.00000
Pt4 Pt 0.16802 0.83198 0.33394 1.00000
Pt5 Pt 0.83198 0.16802 0.66606 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
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