Cd(Pd3Pt)2
Alexandria ALEXAlex-ID: agm005649891 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3141_spg2
Pd3Pt2 Cd2Pd7 Pd2Pt3
2023-07-09 06:32:25.926272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649891).
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 agm005649891
data_agm005649891
_cell_length_a 5.40943
_cell_length_b 6.54747
_cell_length_c 9.77515
_cell_angle_alpha 114.96443
_cell_angle_beta 97.76459
_cell_angle_gamma 77.93612
_cell_volume 306.50839
_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 0.50000 0.50000 0.00000 1.00000
Cd2 Cd 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.80451 0.09336 0.79260 1.00000
Pd2 Pd 0.39632 0.30314 0.39411 1.00000
Pd3 Pd 0.34591 0.19484 0.09350 1.00000
Pd4 Pd 0.89028 0.32645 0.39948 1.00000
Pd5 Pd 0.84660 0.19429 0.09772 1.00000
Pd6 Pd 0.46175 0.37802 0.69194 1.00000
Pd7 Pd 0.19549 0.90664 0.20740 1.00000
Pd8 Pd 0.60368 0.69686 0.60589 1.00000
Pd9 Pd 0.65409 0.80516 0.90650 1.00000
Pd10 Pd 0.10972 0.67355 0.60052 1.00000
Pd11 Pd 0.15340 0.80571 0.90228 1.00000
Pd12 Pd 0.53825 0.62198 0.30806 1.00000
Pt1 Pt 0.69715 0.91021 0.21405 1.00000
Pt2 Pt 0.04059 0.58305 0.26750 1.00000
Pt3 Pt 0.95941 0.41695 0.73250 1.00000
Pt4 Pt 0.30285 0.08979 0.78595 1.00000
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