Ac2Si7Pt12
Alexandria ALEXAlex-ID: agm005659912 · Space group: P-6 (#174)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_1_spg174
Ac(SiPt)2 AcSiPt3 SiPt2
2023-06-21 09:13:58.097094
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659912).
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 agm005659912
data_agm005659912
_cell_length_a 4.06568
_cell_length_b 10.06904
_cell_length_c 10.06903
_cell_angle_alpha 119.99997
_cell_angle_beta 89.99999
_cell_angle_gamma 90.00001
_cell_volume 356.97600
_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 0.50000 0.00000 0.00000 1.00000
Ac2 Ac 1.00000 0.66667 0.33333 1.00000
Si1 Si 0.99996 0.33333 0.66667 1.00000
Si2 Si 0.00000 0.04795 0.77732 1.00000
Si3 Si 0.00000 0.72936 0.95205 1.00000
Si4 Si 0.00000 0.22268 0.27064 1.00000
Si5 Si 0.50000 0.62405 0.56126 1.00000
Si6 Si 0.50000 0.93721 0.37595 1.00000
Si7 Si 0.50000 0.43874 0.06279 1.00000
Pt1 Pt 0.50000 0.88540 0.59764 1.00000
Pt2 Pt 0.50000 0.71223 0.11460 1.00000
Pt3 Pt 0.50000 0.40236 0.28777 1.00000
Pt4 Pt 0.50001 0.21714 0.80758 1.00000
Pt5 Pt 0.50001 0.59044 0.78286 1.00000
Pt6 Pt 0.50001 0.19242 0.40957 1.00000
Pt7 Pt 0.00000 0.06608 0.54633 1.00000
Pt8 Pt 0.00000 0.48025 0.93392 1.00000
Pt9 Pt 0.00000 0.45367 0.51974 1.00000
Pt10 Pt 1.00000 0.78304 0.73507 1.00000
Pt11 Pt 1.00000 0.95203 0.21696 1.00000
Pt12 Pt 1.00000 0.26493 0.04797 1.00000
