Th2SbPtRh5
Alexandria ALEXAlex-ID: agm005175997 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_231_spg140
ThPt2Rh Th2(SbRh3)3 Th2SbRh5 Rh
2023-01-19 13:54:14.774212
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005175997).
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 agm005175997
data_agm005175997
_cell_length_a 8.52904
_cell_length_b 8.52904
_cell_length_c 7.93160
_cell_angle_alpha 122.52464
_cell_angle_beta 122.52464
_cell_angle_gamma 90.00000
_cell_volume 374.74366
_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 0.14005 0.35995 0.00000 1.00000
Th2 Th 0.64005 0.14005 1.00000 1.00000
Th3 Th 0.35995 0.85995 0.00000 1.00000
Th4 Th 0.85995 0.64005 0.00000 1.00000
Sb1 Sb 0.25000 0.25000 0.50000 1.00000
Sb2 Sb 0.75000 0.75000 0.50000 1.00000
Pt1 Pt 0.25000 0.75000 0.50000 1.00000
Pt2 Pt 0.75000 0.25000 0.50000 1.00000
Rh1 Rh 0.94617 0.44617 0.27412 1.00000
Rh2 Rh 0.67206 0.17206 0.72588 1.00000
Rh3 Rh 0.05383 0.55383 0.72588 1.00000
Rh4 Rh 0.17206 0.05383 0.72588 1.00000
Rh5 Rh 0.55383 0.67206 0.72588 1.00000
Rh6 Rh 0.82794 0.94617 0.27412 1.00000
Rh7 Rh 0.44617 0.32794 0.27412 1.00000
Rh8 Rh 0.32794 0.82794 0.27412 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.00000 0.00000 0.00000 1.00000
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