Sc5Si2Ge5
Alexandria ALEXAlex-ID: agm005665015 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_26_spg12
ScSi ScGe2 ScGe
2023-06-19 07:04:16.328682
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665015).
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 agm005665015
data_agm005665015
_cell_length_a 3.92798
_cell_length_b 7.30588
_cell_length_c 8.39751
_cell_angle_alpha 89.92212
_cell_angle_beta 76.49772
_cell_angle_gamma 74.39862
_cell_volume 225.20586
_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
Sc1 Sc 0.00000 0.50000 0.50000 1.00000
Sc2 Sc 0.68400 0.70112 0.93116 1.00000
Sc3 Sc 0.36665 0.92278 0.34349 1.00000
Sc4 Sc 0.63335 0.07722 0.65651 1.00000
Sc5 Sc 0.31600 0.29888 0.06884 1.00000
Si1 Si 0.38236 0.48119 0.75445 1.00000
Si2 Si 0.61764 0.51881 0.24555 1.00000
Ge1 Ge 0.73057 0.20214 0.33728 1.00000
Ge2 Ge 0.94635 0.29658 0.81122 1.00000
Ge3 Ge 0.05365 0.70342 0.18878 1.00000
Ge4 Ge 0.26943 0.79786 0.66272 1.00000
Ge5 Ge 0.00000 0.00000 0.00000 1.00000
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