K3Ac6RuPt2
Alexandria ALEXAlex-ID: agm048378636 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Ac3Ru Ac3Pt2 K
2024-12-28 02:28:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048378636).
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 agm048378636
data_agm048378636
_cell_length_a 7.70407
_cell_length_b 7.70407
_cell_length_c 11.26021
_cell_angle_alpha 83.45634
_cell_angle_beta 96.54366
_cell_angle_gamma 59.96876
_cell_volume 563.35978
_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
K1 K 0.16748 0.16748 0.00000 1.00000
K2 K 0.83252 0.83252 0.00000 1.00000
K3 K 0.50000 0.50000 0.00000 1.00000
Ac1 Ac 0.37093 0.95229 0.64250 1.00000
Ac2 Ac 0.27562 0.72438 0.35741 1.00000
Ac3 Ac 0.62907 0.04771 0.35750 1.00000
Ac4 Ac 0.04771 0.62907 0.64250 1.00000
Ac5 Ac 0.72438 0.27562 0.64259 1.00000
Ac6 Ac 0.95229 0.37093 0.35750 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.33342 0.33342 0.50000 1.00000
Pt2 Pt 0.66658 0.66658 0.50000 1.00000
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