Sc4CoSb
Alexandria ALEXAlex-ID: agm005809117 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Sc12Co5Sb Sc2Sb
2023-07-31 05:47:59.966716
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809117).
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 agm005809117
data_agm005809117
_cell_length_a 5.55231
_cell_length_b 7.44712
_cell_length_c 7.44712
_cell_angle_alpha 112.39201
_cell_angle_beta 102.68008
_cell_angle_gamma 102.68007
_cell_volume 261.61376
_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 0.84959 0.64997 0.79556 1.00000
Sc2 Sc 0.06807 0.94305 0.27591 1.00000
Sc3 Sc 0.65041 0.20444 0.35003 1.00000
Sc4 Sc 0.43193 0.72409 0.05695 1.00000
Sc5 Sc 0.56807 0.27591 0.94305 1.00000
Sc6 Sc 0.34959 0.79556 0.64997 1.00000
Sc7 Sc 0.93193 0.05695 0.72409 1.00000
Sc8 Sc 0.15041 0.35003 0.20444 1.00000
Co1 Co 0.25000 0.99969 0.00031 1.00000
Co2 Co 0.75000 0.00031 0.99969 1.00000
Sb1 Sb 0.75000 0.62837 0.37163 1.00000
Sb2 Sb 0.25000 0.37163 0.62837 1.00000
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