Th3PdAu5
Alexandria ALEXAlex-ID: agm072700972 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1069_spg12
ThPdAu ThAu2
2024-09-25 22:25:28.419104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072700972).
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 agm072700972
data_agm072700972
_cell_length_a 5.41493
_cell_length_b 5.41398
_cell_length_c 8.63391
_cell_angle_alpha 80.89163
_cell_angle_beta 80.86089
_cell_angle_gamma 119.46214
_cell_volume 209.19327
_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 0.65986 0.22491 0.66969 1.00000
Th2 Th 0.33096 0.89580 0.33036 1.00000
Th3 Th 0.00447 0.55071 0.99994 1.00000
Pd1 Pd 0.34657 0.20823 0.00026 1.00000
Au1 Au 0.67058 0.88422 0.99996 1.00000
Au2 Au 0.32886 0.55612 0.66807 1.00000
Au3 Au 0.66437 0.56131 0.33110 1.00000
Au4 Au 0.99984 0.22700 0.33178 1.00000
Au5 Au 0.99456 0.89172 0.66882 1.00000
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