Sc5Ge5Pt2
Alexandria ALEXAlex-ID: agm005659544 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
ScGe ScGePt
2023-06-19 07:08:53.182325
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659544).
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 agm005659544
data_agm005659544
_cell_length_a 4.20893
_cell_length_b 7.57836
_cell_length_c 7.72932
_cell_angle_alpha 94.46669
_cell_angle_beta 74.20058
_cell_angle_gamma 73.87738
_cell_volume 224.73260
_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 0.69726 0.68584 0.91964 1.00000
Sc3 Sc 0.35005 0.97128 0.32861 1.00000
Sc4 Sc 0.64995 0.02872 0.67139 1.00000
Sc5 Sc 0.30274 0.31416 0.08036 1.00000
Ge1 Ge 0.70654 0.23228 0.35465 1.00000
Ge2 Ge 0.96881 0.27233 0.79005 1.00000
Ge3 Ge 0.03119 0.72767 0.20995 1.00000
Ge4 Ge 0.29346 0.76772 0.64535 1.00000
Ge5 Ge 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.40640 0.44657 0.74062 1.00000
Pt2 Pt 0.59360 0.55343 0.25938 1.00000
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