Ac2Be7Pt12
Alexandria ALEXAlex-ID: agm005671839 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
AcPt3 Be5Pt6 AcBe2Pt3
2023-06-21 06:08:39.311678
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671839).
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 agm005671839
data_agm005671839
_cell_length_a 3.87558
_cell_length_b 9.74130
_cell_length_c 9.74130
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 318.49398
_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 0.25052 0.33333 0.66667 1.00000
Ac2 Ac 0.74948 0.66667 0.33333 1.00000
Be1 Be 0.50000 0.00000 0.00000 1.00000
Be2 Be 0.25156 0.90274 0.28860 1.00000
Be3 Be 0.25156 0.38587 0.09726 1.00000
Be4 Be 0.25156 0.71140 0.61413 1.00000
Be5 Be 0.74844 0.09726 0.71140 1.00000
Be6 Be 0.74844 0.61413 0.90274 1.00000
Be7 Be 0.74844 0.28860 0.38587 1.00000
Pt1 Pt 0.24878 0.61980 0.06008 1.00000
Pt2 Pt 0.24878 0.44027 0.38020 1.00000
Pt3 Pt 0.24878 0.93992 0.55973 1.00000
Pt4 Pt 0.75122 0.38020 0.93992 1.00000
Pt5 Pt 0.75122 0.55973 0.61980 1.00000
Pt6 Pt 0.75122 0.06008 0.44027 1.00000
Pt7 Pt 0.25079 0.11511 0.25437 1.00000
Pt8 Pt 0.25079 0.13926 0.88489 1.00000
Pt9 Pt 0.25079 0.74563 0.86074 1.00000
Pt10 Pt 0.74921 0.88489 0.74563 1.00000
Pt11 Pt 0.74921 0.86074 0.11511 1.00000
Pt12 Pt 0.74921 0.25437 0.13926 1.00000
