Ac5SiGe6
Alexandria ALEXAlex-ID: agm003674965 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_58_spg12
Ac3(SiGe)2 Ac3Ge5 AcGe
2022-04-10 03:20:41.854877
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674965).
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 agm003674965
data_agm003674965
_cell_length_a 5.70681
_cell_length_b 8.77568
_cell_length_c 8.88620
_cell_angle_alpha 60.41057
_cell_angle_beta 78.78846
_cell_angle_gamma 66.81128
_cell_volume 355.72870
_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 0.12913 0.74175 1.00000
Ac2 Ac 1.00000 0.31576 0.36848 1.00000
Ac3 Ac 0.50000 0.50000 0.00000 1.00000
Ac4 Ac 0.00000 0.68424 0.63152 1.00000
Ac5 Ac 0.50000 0.87087 0.25825 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.83753 0.07886 0.26931 1.00000
Ge2 Ge 0.16247 0.65183 0.26931 1.00000
Ge3 Ge 0.13189 0.27304 0.00000 1.00000
Ge4 Ge 0.86811 0.72696 1.00000 1.00000
Ge5 Ge 0.83753 0.34817 0.73069 1.00000
Ge6 Ge 0.16247 0.92114 0.73069 1.00000
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