Ac3PdPt
Alexandria ALEXAlex-ID: agm005744827 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6500_spg12
Ac7Pd3 Ac3Pt2 AcPd
2023-07-05 10:34:59.879166
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005744827).
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 agm005744827
data_agm005744827
_cell_length_a 4.49237
_cell_length_b 11.48624
_cell_length_c 8.24461
_cell_angle_alpha 60.83154
_cell_angle_beta 74.19032
_cell_angle_gamma 78.72290
_cell_volume 356.42588
_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
Ac1 Ac 0.03195 0.19714 0.73896 1.00000
Ac2 Ac 0.96805 0.80286 0.26104 1.00000
Ac3 Ac 0.64147 0.49080 0.22625 1.00000
Ac4 Ac 0.35853 0.50920 0.77375 1.00000
Ac5 Ac 0.69175 0.86883 0.74768 1.00000
Ac6 Ac 0.30825 0.13117 0.25232 1.00000
Pd1 Pd 0.33335 0.81948 0.51381 1.00000
Pd2 Pd 0.66665 0.18052 0.48619 1.00000
Pt1 Pt 0.16570 0.67813 0.99048 1.00000
Pt2 Pt 0.83430 0.32187 0.00952 1.00000
Get direct link