Tm3PdAu2
Alexandria ALEXAlex-ID: agm033248633 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2535_spg2
Tm4PdAu3 Tm2PdAu
2025-04-15 07:47:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033248633).
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 agm033248633
data_agm033248633
_cell_length_a 4.97278
_cell_length_b 7.91353
_cell_length_c 7.88182
_cell_angle_alpha 66.19539
_cell_angle_beta 71.50085
_cell_angle_gamma 71.42748
_cell_volume 262.55450
_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
Tm1 Tm 0.91389 0.41791 0.75455 1.00000
Tm2 Tm 0.75023 0.25459 0.24446 1.00000
Tm3 Tm 0.08611 0.58209 0.24545 1.00000
Tm4 Tm 0.41720 0.91735 0.24816 1.00000
Tm5 Tm 0.58280 0.08265 0.75184 1.00000
Tm6 Tm 0.24977 0.74541 0.75554 1.00000
Pd1 Pd 0.67157 0.66087 0.99905 1.00000
Pd2 Pd 0.32843 0.33913 0.00095 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.50000 0.50000 0.50000 1.00000
Au3 Au 0.16875 0.16611 0.49588 1.00000
Au4 Au 0.83125 0.83389 0.50412 1.00000
Get direct link