Th2Si(PtRh2)2
Alexandria ALEXAlex-ID: agm004567006 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_166_spg139
Th2SiRh6 ThPt2 Th6Si19Rh30 ThPt2Rh
2022-06-19 20:52:46.332753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004567006).
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 agm004567006
data_agm004567006
_cell_length_a 6.09905
_cell_length_b 6.09905
_cell_length_c 6.09905
_cell_angle_alpha 91.25903
_cell_angle_beta 119.27578
_cell_angle_gamma 119.27578
_cell_volume 162.13859
_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 0.50000 0.75000 0.25000 1.00000
Th2 Th 0.50000 0.25000 0.75000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 1.00000 0.72722 0.72722 1.00000
Pt2 Pt 0.00000 0.27278 0.27278 1.00000
Rh1 Rh 0.00000 0.73489 0.26511 1.00000
Rh2 Rh 0.46978 0.73489 0.73489 1.00000
Rh3 Rh 0.00000 0.26511 0.73489 1.00000
Rh4 Rh 0.53022 0.26511 0.26511 1.00000
Get direct link