AcDyPt
Alexandria ALEXAlex-ID: agm005651758 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7402_spg64
Ac7Pt3 Dy2Pt Ac3Pt2
2023-06-17 08:36:53.882610
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651758).
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 agm005651758
data_agm005651758
_cell_length_a 6.57735
_cell_length_b 8.84387
_cell_length_c 8.84842
_cell_angle_alpha 136.53879
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 354.04698
_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 0.49890 0.17704 0.82287 1.00000
Ac2 Ac 0.50110 0.82296 0.17713 1.00000
Ac3 Ac 0.99890 0.32296 0.67713 1.00000
Ac4 Ac 0.00110 0.67704 0.32287 1.00000
Dy1 Dy 0.81094 0.19172 0.19107 1.00000
Dy2 Dy 0.68906 0.69172 0.69107 1.00000
Dy3 Dy 0.18906 0.80828 0.80893 1.00000
Dy4 Dy 0.31094 0.30828 0.30893 1.00000
Pt1 Pt 0.49929 0.36749 0.63582 1.00000
Pt2 Pt 0.50071 0.63251 0.36418 1.00000
Pt3 Pt 0.00071 0.86749 0.13582 1.00000
Pt4 Pt 0.99929 0.13251 0.86418 1.00000
Get direct link