Sc3Re2Si3
Alexandria ALEXAlex-ID: agm006217876 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_109_spg5
ScReSi Sc2ReSi2
2023-12-14 03:35:48.262855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006217876).
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 agm006217876
data_agm006217876
_cell_length_a 10.08583
_cell_length_b 10.08583
_cell_length_c 13.76762
_cell_angle_alpha 53.23682
_cell_angle_beta 53.23682
_cell_angle_gamma 30.42394
_cell_volume 556.30701
_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 0.36003 0.88440 0.79029 1.00000
Sc2 Sc 0.65050 0.67785 0.38757 1.00000
Sc3 Sc 0.11560 0.63997 0.20971 1.00000
Sc4 Sc 0.90665 0.95734 0.38785 1.00000
Sc5 Sc 0.12215 0.69529 0.91863 1.00000
Sc6 Sc 0.32215 0.34950 0.61243 1.00000
Sc7 Sc 0.15709 0.12229 0.26005 1.00000
Sc8 Sc 0.88400 0.43689 0.88967 1.00000
Sc9 Sc 0.87771 0.84291 0.73995 1.00000
Sc10 Sc 0.30471 0.87785 0.08137 1.00000
Sc11 Sc 0.56311 0.11600 0.11033 1.00000
Sc12 Sc 0.04266 0.09335 0.61215 1.00000
Re1 Re 0.51933 0.55748 0.31899 1.00000
Re2 Re 0.44252 0.48067 0.68101 1.00000
Re3 Re 0.68765 0.27189 0.16466 1.00000
Re4 Re 0.66573 0.81393 0.04354 1.00000
Re5 Re 0.42554 0.04747 0.53329 1.00000
Re6 Re 0.72811 0.31235 0.83534 1.00000
Re7 Re 0.95253 0.57446 0.46671 1.00000
Re8 Re 0.18607 0.33427 0.95646 1.00000
Si1 Si 0.46845 0.53155 0.00000 1.00000
Si2 Si 0.98903 0.35689 0.68152 1.00000
Si3 Si 0.97304 0.02696 0.00000 1.00000
Si4 Si 0.21046 0.22959 0.36971 1.00000
Si5 Si 0.60470 0.15663 0.87790 1.00000
Si6 Si 0.84337 0.39530 0.12210 1.00000
Si7 Si 0.77041 0.78954 0.63029 1.00000
Si8 Si 0.58123 0.63070 0.63186 1.00000
Si9 Si 0.73383 0.26617 0.50000 1.00000
Si10 Si 0.23304 0.76696 0.50000 1.00000
Si11 Si 0.36930 0.41877 0.36814 1.00000
Si12 Si 0.64311 0.01097 0.31848 1.00000
