Sc3Os
Alexandria ALEXAlex-ID: agm005543460 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_281_spg86
Sc44Os7 Sc11Os4
2023-05-28 19:54:54.155827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543460).
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 agm005543460
data_agm005543460
_cell_length_a 5.63571
_cell_length_b 10.93005
_cell_length_c 10.93005
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 673.27497
_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 0.02329 0.28091 0.82750 1.00000
Sc2 Sc 0.02329 0.71909 0.17250 1.00000
Sc3 Sc 0.52329 0.67250 0.78091 1.00000
Sc4 Sc 0.52329 0.32750 0.21909 1.00000
Sc5 Sc 0.47671 0.21909 0.67250 1.00000
Sc6 Sc 0.47671 0.78091 0.32750 1.00000
Sc7 Sc 0.97671 0.82750 0.71909 1.00000
Sc8 Sc 0.97671 0.17250 0.28091 1.00000
Sc9 Sc 0.53524 0.38080 0.91491 1.00000
Sc10 Sc 0.53524 0.61920 0.08509 1.00000
Sc11 Sc 0.03524 0.58509 0.88080 1.00000
Sc12 Sc 0.03524 0.41491 0.11920 1.00000
Sc13 Sc 0.96476 0.11920 0.58509 1.00000
Sc14 Sc 0.96476 0.88080 0.41491 1.00000
Sc15 Sc 0.46476 0.91491 0.61920 1.00000
Sc16 Sc 0.46476 0.08509 0.38080 1.00000
Sc17 Sc 0.73395 0.03932 0.86564 1.00000
Sc18 Sc 0.73395 0.96068 0.13436 1.00000
Sc19 Sc 0.23395 0.63436 0.53932 1.00000
Sc20 Sc 0.23395 0.36564 0.46068 1.00000
Sc21 Sc 0.76605 0.46068 0.63436 1.00000
Sc22 Sc 0.76605 0.53932 0.36564 1.00000
Sc23 Sc 0.26605 0.86564 0.96068 1.00000
Sc24 Sc 0.26605 0.13436 0.03932 1.00000
Os1 Os 0.78095 0.78878 0.95014 1.00000
Os2 Os 0.78095 0.21122 0.04986 1.00000
Os3 Os 0.28095 0.54986 0.28878 1.00000
Os4 Os 0.28095 0.45014 0.71122 1.00000
Os5 Os 0.71905 0.71122 0.54986 1.00000
Os6 Os 0.71905 0.28878 0.45014 1.00000
Os7 Os 0.21905 0.95014 0.21122 1.00000
Os8 Os 0.21905 0.04986 0.78878 1.00000
