Th2Cu2Pd3
Alexandria ALEXAlex-ID: agm010082425 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_157_spg12
ThCu4Pd Th3Pd5
2025-05-01 20:34:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010082425).
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
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# CIF generated by HEAS from Alexandria entry agm010082425
data_agm010082425
_cell_length_a 5.43587
_cell_length_b 5.43587
_cell_length_c 6.52928
_cell_angle_alpha 76.94651
_cell_angle_beta 103.05349
_cell_angle_gamma 132.96607
_cell_volume 136.82924
_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 0.37323 0.62677 0.22900 1.00000
Th2 Th 0.62677 0.37323 0.77100 1.00000
Cu1 Cu 0.10497 0.89503 0.42380 1.00000
Cu2 Cu 0.89503 0.10497 0.57620 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.32920 0.67080 0.76058 1.00000
Pd3 Pd 0.67080 0.32920 0.23942 1.00000
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