Ac6Pt2Se3
Alexandria ALEXAlex-ID: agm005628554 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_310_spg12
Ac3Pt2 AcSe
2023-06-12 22:39:50.731226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005628554).
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 agm005628554
data_agm005628554
_cell_length_a 4.41487
_cell_length_b 4.41487
_cell_length_c 22.46246
_cell_angle_alpha 84.36033
_cell_angle_beta 84.36032
_cell_angle_gamma 60.00000
_cell_volume 376.71200
_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 0.08745 0.08745 0.73766 1.00000
Ac2 Ac 0.91255 0.91255 0.26234 1.00000
Ac3 Ac 0.19557 0.19557 0.41329 1.00000
Ac4 Ac 0.80443 0.80443 0.58671 1.00000
Ac5 Ac 0.36088 0.36088 0.91737 1.00000
Ac6 Ac 0.63912 0.63912 0.08263 1.00000
Pt1 Pt 0.44722 0.44722 0.65835 1.00000
Pt2 Pt 0.55278 0.55278 0.34165 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
Se2 Se 0.27784 0.27784 0.16649 1.00000
Se3 Se 0.72216 0.72216 0.83351 1.00000
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