Sc2SiOs
Alexandria ALEXAlex-ID: agm005708485 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7598_spg15
Sc2Os ScSiOs Sc5Si3
2023-07-13 12:49:01.327711
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708485).
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 agm005708485
data_agm005708485
_cell_length_a 4.75833
_cell_length_b 5.19863
_cell_length_c 7.78667
_cell_angle_alpha 76.60587
_cell_angle_beta 72.20913
_cell_angle_gamma 62.76429
_cell_volume 162.11029
_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 0.17248 0.22287 0.40634 1.00000
Sc2 Sc 0.82752 0.77713 0.59366 1.00000
Sc3 Sc 0.19831 0.72287 0.90634 1.00000
Sc4 Sc 0.80169 0.27713 0.09366 1.00000
Si1 Si 0.71523 0.75000 0.25000 1.00000
Si2 Si 0.28477 0.25000 0.75000 1.00000
Os1 Os 0.78130 0.25000 0.75000 1.00000
Os2 Os 0.21870 0.75000 0.25000 1.00000
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