PaTcRh
Alexandria ALEXAlex-ID: agm005657416 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3_spg194
Pa3Tc2Rh PaRh2 Tc
2023-06-18 12:38:32.003316
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657416).
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 agm005657416
data_agm005657416
_cell_length_a 4.62517
_cell_length_b 5.78596
_cell_length_c 4.62388
_cell_angle_alpha 90.00000
_cell_angle_beta 120.00924
_cell_angle_gamma 90.00000
_cell_volume 107.15193
_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
Pa1 Pa 0.66684 0.75000 0.83367 1.00000
Pa2 Pa 0.33316 0.25000 0.16633 1.00000
Tc1 Tc 0.33285 0.75000 0.16570 1.00000
Tc2 Tc 0.66715 0.25000 0.83430 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.50000 1.00000
