Sc5In2Os
Alexandria ALEXAlex-ID: agm005964515 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_257_spg139
Sc2In Sc2InOs Sc11Os4
2023-09-04 05:04:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005964515).
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 agm005964515
data_agm005964515
_cell_length_a 4.83402
_cell_length_b 4.83402
_cell_length_c 7.95389
_cell_angle_alpha 107.69064
_cell_angle_beta 107.69066
_cell_angle_gamma 90.00000
_cell_volume 167.82598
_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 0.50000 0.50000 0.00000 1.00000
Sc2 Sc 0.88485 0.38485 0.76969 1.00000
Sc3 Sc 0.38485 0.88485 0.76969 1.00000
Sc4 Sc 0.11515 0.61515 0.23031 1.00000
Sc5 Sc 0.61515 0.11515 0.23031 1.00000
In1 In 0.74671 0.74671 0.49342 1.00000
In2 In 0.25329 0.25329 0.50658 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
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