Sc3Ge3Pt8
Alexandria ALEXAlex-ID: agm008656102 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
ScGePt2 ScPt3 GePt
2024-05-10 14:44:06.729645
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008656102).
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 agm008656102
data_agm008656102
_cell_length_a 8.02623
_cell_length_b 8.02623
_cell_length_c 8.57407
_cell_angle_alpha 58.23993
_cell_angle_beta 58.23993
_cell_angle_gamma 31.91011
_cell_volume 244.32510
_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 0.28981 0.28981 0.74339 1.00000
Sc2 Sc 0.71019 0.71019 0.25661 1.00000
Sc3 Sc 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.00000 0.00000 0.50000 1.00000
Ge2 Ge 0.67027 0.67027 0.66436 1.00000
Ge3 Ge 0.32973 0.32973 0.33564 1.00000
Pt1 Pt 0.12691 0.12691 0.15556 1.00000
Pt2 Pt 0.87309 0.87309 0.84444 1.00000
Pt3 Pt 0.86398 0.86398 0.42651 1.00000
Pt4 Pt 0.13602 0.13602 0.57349 1.00000
Pt5 Pt 0.49973 0.49973 0.67349 1.00000
Pt6 Pt 0.50027 0.50027 0.32651 1.00000
Pt7 Pt 0.34252 0.34252 0.04716 1.00000
Pt8 Pt 0.65748 0.65748 0.95284 1.00000
Get direct link