CoPd3Pt2
Alexandria ALEXAlex-ID: agm005661677 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_620_spg227
Co(PdPt)2 Pd
2023-08-17 11:23:30.879153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661677).
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 agm005661677
data_agm005661677
_cell_length_a 7.83158
_cell_length_b 7.83158
_cell_length_c 8.43804
_cell_angle_alpha 117.64969
_cell_angle_beta 117.64969
_cell_angle_gamma 90.00000
_cell_volume 390.48714
_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
Co1 Co 0.26001 0.26001 0.52003 1.00000
Co2 Co 0.73999 0.73999 0.47997 1.00000
Co3 Co 0.51001 0.01001 0.02003 1.00000
Co4 Co 0.98999 0.48999 0.97997 1.00000
Pd1 Pd 0.31625 0.68375 0.00000 1.00000
Pd2 Pd 0.12500 0.87500 0.25000 1.00000
Pd3 Pd 0.12500 0.37500 0.25000 1.00000
Pd4 Pd 0.68375 0.68375 1.00000 1.00000
Pd5 Pd 0.68375 0.31625 1.00000 1.00000
Pd6 Pd 0.93375 0.43375 0.50000 1.00000
Pd7 Pd 0.62500 0.87500 0.75000 1.00000
Pd8 Pd 0.12500 0.87500 0.75000 1.00000
Pd9 Pd 0.56625 0.06625 0.50000 1.00000
Pd10 Pd 0.56625 0.43375 0.50000 1.00000
Pd11 Pd 0.31625 0.31625 0.00000 1.00000
Pd12 Pd 0.93375 0.06625 0.50000 1.00000
Pt1 Pt 0.91629 0.70407 0.83259 1.00000
Pt2 Pt 0.33371 0.62148 0.66741 1.00000
Pt3 Pt 0.29593 0.08371 0.16741 1.00000
Pt4 Pt 0.37852 0.66629 0.33259 1.00000
Pt5 Pt 0.87148 0.08371 0.16741 1.00000
Pt6 Pt 0.95407 0.66629 0.33259 1.00000
Pt7 Pt 0.33371 0.04593 0.66741 1.00000
Pt8 Pt 0.91629 0.12852 0.83259 1.00000
