ThAs2PtRh5
Alexandria ALEXAlex-ID: agm005148490 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_202_spg123
Th2AsRh6 Th2As4Rh7 ThPt2Rh AsRh2
2023-01-06 14:59:25.649109
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005148490).
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 agm005148490
data_agm005148490
_cell_length_a 4.17940
_cell_length_b 4.17940
_cell_length_c 8.87063
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 154.94691
_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 0.00000 0.00000 0.50000 1.00000
As1 As 0.50000 0.50000 0.13372 1.00000
As2 As 0.50000 0.50000 0.86628 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.00000 0.50000 0.26035 1.00000
Rh2 Rh 0.50000 0.00000 0.26035 1.00000
Rh3 Rh 0.00000 0.50000 0.73965 1.00000
Rh4 Rh 0.50000 0.00000 0.73965 1.00000
Rh5 Rh 0.50000 0.50000 0.50000 1.00000
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