ThPd4Pt
Alexandria ALEXAlex-ID: agm005736601 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3430_spg15
ThPd5 ThPdPt4
2023-07-31 01:53:35.716586
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736601).
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 agm005736601
data_agm005736601
_cell_length_a 5.10387
_cell_length_b 5.16109
_cell_length_c 11.62015
_cell_angle_alpha 107.00028
_cell_angle_beta 53.52697
_cell_angle_gamma 119.53066
_cell_volume 214.16473
_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 0.99756 0.99555 0.25007 1.00000
Th2 Th 0.00244 0.00445 0.74993 1.00000
Pd1 Pd 0.67471 0.35397 0.50015 1.00000
Pd2 Pd 0.32529 0.64603 0.49985 1.00000
Pd3 Pd 0.67926 0.35365 0.00004 1.00000
Pd4 Pd 0.32074 0.64635 0.99996 1.00000
Pd5 Pd 0.33237 0.66475 0.24994 1.00000
Pd6 Pd 0.66763 0.33525 0.75006 1.00000
Pd7 Pd 0.00000 0.00000 0.50000 1.00000
Pd8 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.66160 0.32397 0.25007 1.00000
Pt2 Pt 0.33840 0.67603 0.74993 1.00000
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