Cd2(PdPt)5
Alexandria ALEXAlex-ID: agm005644024 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_188_spg12
Cd2Pd3 PdPt4 CdPd2
2023-06-19 05:29:20.082348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644024).
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 agm005644024
data_agm005644024
_cell_length_a 2.81777
_cell_length_b 9.03943
_cell_length_c 10.54897
_cell_angle_alpha 131.21372
_cell_angle_beta 89.93106
_cell_angle_gamma 99.08999
_cell_volume 197.66370
_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
Cd1 Cd 0.01274 0.03104 0.75942 1.00000
Cd2 Cd 0.98726 0.96896 0.24058 1.00000
Pd1 Pd 0.17776 0.36054 0.34340 1.00000
Pd2 Pd 0.68076 0.36611 0.84363 1.00000
Pd3 Pd 0.31924 0.63389 0.15637 1.00000
Pd4 Pd 0.82224 0.63946 0.65660 1.00000
Pd5 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.50000 0.00000 0.50000 1.00000
Pt2 Pt 0.65819 0.31524 0.08206 1.00000
Pt3 Pt 0.83941 0.68081 0.41771 1.00000
Pt4 Pt 0.16059 0.31919 0.58229 1.00000
Pt5 Pt 0.34181 0.68476 0.91794 1.00000
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