TcPtRh4
Alexandria ALEXAlex-ID: agm005751568 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1206_spg12
Tc2Pt3Rh4 TcRh8
2023-07-31 12:35:13.434545
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751568).
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 agm005751568
data_agm005751568
_cell_length_a 4.25297
_cell_length_b 5.16834
_cell_length_c 5.16834
_cell_angle_alpha 96.88396
_cell_angle_beta 65.70437
_cell_angle_gamma 65.70437
_cell_volume 88.47112
_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 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.25455 0.40926 0.08164 1.00000
Rh2 Rh 0.25455 0.08164 0.40926 1.00000
Rh3 Rh 0.74545 0.59074 0.91836 1.00000
Rh4 Rh 0.74545 0.91836 0.59074 1.00000
