PaTcPd
Alexandria ALEXAlex-ID: agm005657389 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3_spg194
PaTc2 Pa2TcPd5 PaTc
2023-06-18 12:40:23.610144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657389).
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 agm005657389
data_agm005657389
_cell_length_a 4.90029
_cell_length_b 5.71903
_cell_length_c 4.66465
_cell_angle_alpha 90.00003
_cell_angle_beta 121.68561
_cell_angle_gamma 89.99995
_cell_volume 111.24045
_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 0.64727 0.75000 0.79454 1.00000
Pa2 Pa 0.35273 0.25000 0.20546 1.00000
Tc1 Tc 0.33943 0.75000 0.17885 1.00000
Tc2 Tc 0.66057 0.25000 0.82115 1.00000
Pd1 Pd 0.00000 0.50000 0.50000 1.00000
Pd2 Pd 0.00000 0.00000 0.50000 1.00000
